| 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 | 74.6 | Confident | 92.7 | Very high | 166 Ų | 166 | 34.9 Ų | 34.9 | 82% | 0.818 | 17% | 0.171 | S | C | * | . | 0 | 145.6 | 0 | -64.9 | -176.4 | -174.8 | 0 | 0 | 108.3 | Y3 | M1-Y3 HydrophobicContact CB-CE1 4.32Å; M1-Y3 HydrophobicContact CB-CE2 4.45Å | |||
| 2 | S | 88.6 | Confident | 93.1 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | trans | -115.2 | 142.1 | 179 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | N4 N964 | S2-N4 PolarHBondContact OG-ND2 3.35Å; S2-N4 VanDerWaalsContact OG-ND2 3.08Å; S2-N964 WeakPolarHBondContact CB-OD1 3.16Å | ||
| 3 | Y | 95.1 | Very high | 93.3 | Very high | 37 Ų | 37 | 31.2 Ų | 31.2 | 15% | 0.145 | 16% | 0.155 | C | C | . | . | trans | -132.3 | 124.8 | 179.6 | -51.5 | -63.2 | 0 | 0 | 0 | 109.6 | M1 L1043 E1045 Y1048 | M1-Y3 HydrophobicContact CB-CE1 4.32Å; M1-Y3 HydrophobicContact CB-CE2 4.45Å; Y3-L1043 PolarHBondContact O-N 2.89Å; Y3-E1045 HydrophobicContact CD2-CB 4.2Å; Y3-E1045 HydrophobicContact CE2-CB 3.61Å; Y3-E1045 HydrophobicContact CE2-CG 3.77Å; Y3-Y1048 AromaticContact CD1-CD1 3.42Å; Y3-Y1048 HydrophobicContact CD1-CD1 3.42Å; Y3-Y1048 VanDerWaalsContact CD1-CD1 3.42Å; Y3-Y1048 AromaticContact CD1-CD2 3.66Å; Y3-Y1048 HydrophobicContact CD1-CD2 3.66Å; Y3-Y1048 AromaticContact CD1-CE1 3.74Å; Y3-Y1048 HydrophobicContact CD1-CE1 3.74Å; Y3-Y1048 AromaticContact CD1-CE2 3.96Å; Y3-Y1048 HydrophobicContact CD1-CE2 3.96Å; Y3-Y1048 AromaticContact CD1-CG 3.37Å; Y3-Y1048 HydrophobicContact CD1-CG 3.37Å; Y3-Y1048 AromaticContact CD1-CZ 3.99Å; Y3-Y1048 AromaticContact CE1-CD1 3.61Å; Y3-Y1048 HydrophobicContact CE1-CD1 3.61Å; Y3-Y1048 AromaticContact CE1-CE1 3.81Å; Y3-Y1048 HydrophobicContact CE1-CE1 3.81Å; Y3-Y1048 HydrophobicContact CE1-CG 4.05Å; Y3-Y1048 HydrophobicContact CG-CD1 4.16Å; Y3-Y1048 HydrophobicContact CG-CD2 4.05Å; Y3-Y1048 AromaticContact CG-CG 3.73Å; Y3-Y1048 HydrophobicContact CG-CG 3.73Å | ||
| 4 | N | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 150.8 | -171.9 | -56 | -82.4 | 0 | 0 | 0 | 110.4 | S2 L960 V1040 T1041 G1088 F1089 I1090 | S2-N4 PolarHBondContact OG-ND2 3.35Å; S2-N4 VanDerWaalsContact OG-ND2 3.08Å; N4-L960 WeakPolarHBondContact OD1-CD1 3.45Å; N4-V1040 HydrophobicContact CB-CG1 4.27Å; N4-T1041 CarbonylContact C-O 3.59Å; N4-T1041 WeakPolarHBondContact CA-O 3.42Å; N4-G1088 PolarHBondContact N-O 2.85Å; N4-G1088 PolarHBondContact ND2-O 2.85Å; N4-F1089 HydrophobicContact CB-CD1 3.71Å; N4-F1089 HydrophobicContact CB-CE1 3.68Å; N4-F1089 HydrophobicContact CB-CG 4.44Å; N4-F1089 HydrophobicContact CB-CZ 4.39Å; N4-F1089 CarbonylContact O-C 3.6Å; N4-F1089 VanDerWaalsContact O-CA 3.31Å; N4-F1089 WeakPolarHBondContact O-CA 3.4Å; N4-I1090 PolarHBondContact O-N 3.33Å |
| 5 | Y | 96 | Very high | 93.9 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130 | 174.4 | 179.5 | -92.5 | 0 | 0 | 0 | 108.3 | V7 V1040 T1041 L1051 I1090 G1092 I1095 L1137 I1140 | Y5-V7 HydrophobicContact CD1-CB 4.39Å; Y5-V7 HydrophobicContact CD1-CG1 4.36Å; Y5-V7 HydrophobicContact CE1-CB 3.7Å; Y5-V7 HydrophobicContact CE1-CG1 3.83Å; Y5-V7 HydrophobicContact CE1-CG2 4.47Å; Y5-V1040 WeakPolarHBondContact O-CA 3.31Å; Y5-T1041 HydrophobicContact CD1-CG2 3.91Å; Y5-T1041 HydrophobicContact CG-CG2 4.27Å; Y5-T1041 PolarHBondContact N-O 3.43Å; Y5-T1041 PolarHBondContact O-N 2.7Å; Y5-L1051 HydrophobicContact CD2-CD1 4.35Å; Y5-I1090 HydrophobicContact CD2-CB 4.04Å; Y5-I1090 HydrophobicContact CD2-CG2 3.78Å; Y5-I1090 HydrophobicContact CE2-CG2 4.12Å; Y5-G1092 WeakPolarHBondContact OH-CA 3.47Å; Y5-I1095 HydrophobicContact CE2-CG1 4.44Å; Y5-L1137 HydrophobicContact CE2-CD1 4.3Å; Y5-I1140 HydrophobicContact CD1-CD1 4.07Å; Y5-I1140 HydrophobicContact CE1-CD1 3.92Å |
| 6 | V | 96.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.024 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 126.1 | -177.7 | 178.3 | 0 | 0 | 0 | 0 | 109 | L974 F998 L1000 F1030 L1039 V1040 F1089 I1090 G1092 | V6-L974 HydrophobicContact CG2-CD1 4.34Å; V6-F998 HydrophobicContact CG1-CE1 4.43Å; V6-L1000 HydrophobicContact CG1-CD1 4.14Å; V6-F1030 HydrophobicContact CG1-CE1 4.17Å; V6-F1030 HydrophobicContact CG1-CZ 4.12Å; V6-L1039 WeakPolarHBondContact CA-O 3.49Å; V6-V1040 HydrophobicContact CG2-CG1 4.19Å; V6-V1040 HydrophobicContact CG2-CG2 4.07Å; V6-F1089 HydrophobicContact CG2-CD1 3.44Å; V6-F1089 VanDerWaalsContact CG2-CD1 3.44Å; V6-F1089 HydrophobicContact CG2-CE1 3.58Å; V6-I1090 PolarHBondContact N-O 3.43Å; V6-G1092 WeakPolarHBondContact O-CA 3.49Å; V6-G1092 PolarHBondContact O-N 2.88Å |
| 7 | V | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 149 | -179.3 | 64.5 | 0 | 0 | 0 | 0 | 111.3 | Y5 G1038 L1039 H1141 | Y5-V7 HydrophobicContact CD1-CB 4.39Å; Y5-V7 HydrophobicContact CD1-CG1 4.36Å; Y5-V7 HydrophobicContact CE1-CB 3.7Å; Y5-V7 HydrophobicContact CE1-CG1 3.83Å; Y5-V7 HydrophobicContact CE1-CG2 4.47Å; V7-G1038 CarbonylContact O-C 3.56Å; V7-G1038 VanDerWaalsContact O-CA 3.29Å; V7-G1038 WeakPolarHBondContact O-CA 3.33Å; V7-L1039 HydrophobicContact CG1-CB 4.01Å; V7-L1039 HydrophobicContact CG1-CD2 4.31Å; V7-L1039 PolarHBondContact N-O 3.45Å; V7-L1039 PolarHBondContact O-N 3.06Å; V7-H1141 HydrophobicContact CG1-CB 4.3Å |
| 8 | T | 95.6 | Very high | 94.1 | Very high | 30 Ų | 30 | 28.1 Ų | 28.1 | 18% | 0.184 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 112.7 | 176 | -60.5 | 0 | 0 | 0 | 0 | 110.7 | Q10 M1036 D1093 | T8-Q10 VanDerWaalsContact CG2-C 3.5Å; T8-Q10 VanDerWaalsContact CG2-O 3.24Å; T8-Q10 WeakPolarHBondContact CG2-O 3.37Å; T8-M1036 HydrophobicContact CG2-CE 3.83Å; T8-M1036 HydrophobicContact CG2-CG 3.99Å; T8-M1036 VanDerWaalsContact OG1-CE 3.23Å; T8-M1036 WeakPolarHBondContact OG1-CE 3.09Å; T8-D1093 VanDerWaalsContact CB-OD1 3.28Å; T8-D1093 WeakPolarHBondContact CB-OD1 3.36Å; T8-D1093 PolarHBondContact N-OD1 2.95Å; T8-D1093 PolarHBondContact OG1-OD1 3.39Å; T8-D1093 PolarHBondContact OG1-OD2 3.08Å |
| 9 | A | 91.9 | Very high | 94.2 | Very high | 9 Ų | 9 | 27.9 Ų | 27.9 | 7% | 0.074 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -40 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1037 H1141 | A9-I1037 WeakPolarHBondContact CA-O 3.33Å; A9-I1037 HydrophobicContact CB-CG2 4.39Å; A9-I1037 PolarHBondContact N-O 3.22Å; A9-H1141 HydrophobicContact CB-CB 4.18Å |
| 10 | Q | 94.5 | Very high | 94.3 | Very high | 44 Ų | 44 | 28.6 Ų | 28.6 | 21% | 0.206 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 128 | 173.3 | 178.6 | 57.3 | 23.2 | 0 | 0 | 109.5 | T8 L356 L710 M1036 I1037 | T8-Q10 VanDerWaalsContact CG2-C 3.5Å; T8-Q10 VanDerWaalsContact CG2-O 3.24Å; T8-Q10 WeakPolarHBondContact CG2-O 3.37Å; Q10-L356 HydrophobicContact CG-CD1 3.79Å; Q10-L710 HydrophobicContact CB-CD1 4.03Å; Q10-M1036 WeakPolarHBondContact O-CA 3.49Å; Q10-M1036 WeakPolarHBondContact O-CG 3.49Å; Q10-I1037 HydrophobicContact CB-CB 3.96Å; Q10-I1037 HydrophobicContact CB-CD1 4.34Å; Q10-I1037 HydrophobicContact CB-CG1 4.24Å; Q10-I1037 PolarHBondContact N-O 2.96Å; Q10-I1037 PolarHBondContact O-N 3.01Å |
| 11 | K | 95.2 | Very high | 94.3 | Very high | 88 Ų | 88 | 27.7 Ų | 27.7 | 38% | 0.383 | 15% | 0.15 | S | C | . | . | trans | -61.6 | 158.3 | 178.3 | -68.2 | 177.3 | -175.8 | 168 | 0 | 111.8 | T13 E54 | K11-T13 PolarHBondContact O-N 3.29Å; K11-E54 WeakPolarHBondContact CD-OE1 3.43Å; K11-E54 VanDerWaalsContact NZ-CD 3.28Å; K11-E54 IonicContact NZ-OE1 2.72Å; K11-E54 PolarHBondContact NZ-OE1 3.1Å; K11-E54 IonicContact NZ-OE2 3.35Å; K11-E54 PolarHBondContact NZ-OE2 2.92Å | ||
| 12 | P | 96.7 | Very high | 95.4 | Very high | 9 Ų | 9 | 22.5 Ų | 22.5 | 6% | 0.058 | 12% | 0.123 | C | C | . | . | trans | -55.3 | 133.8 | 170.9 | -19.4 | 30.1 | 0 | 0 | 0 | 110.8 | K35 N36 E1002 N1034 M1036 | P12-K35 WeakPolarHBondContact O-CD 3.15Å; P12-N36 HydrophobicContact CB-CB 4.37Å; P12-N36 HydrophobicContact CG-CB 4.45Å; P12-E1002 WeakPolarHBondContact CG-OE1 3.38Å; P12-N1034 HydrophobicContact CB-CB 4.14Å; P12-M1036 HydrophobicContact CB-CB 4.34Å; P12-M1036 HydrophobicContact CG-CB 3.99Å; P12-M1036 HydrophobicContact CG-CG 4.4Å | ||
| 13 | T | 96.4 | Very high | 95.8 | Very high | 13 Ų | 13 | 22.2 Ų | 22.2 | 8% | 0.08 | 12% | 0.121 | C | C | . | . | trans | -110.5 | -24.9 | -177.5 | 46.5 | 0 | 0 | 0 | 0 | 112.4 | K11 N355 L356 N1034 | K11-T13 PolarHBondContact O-N 3.29Å; T13-N355 PolarHBondContact OG1-OD1 2.83Å; T13-L356 PolarHBondContact OG1-N 2.87Å; T13-N1034 PolarHBondContact N-O 3.27Å | ||
| 14 | A | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -66 | 136.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | R327 N355 N1034 | A14-R327 HydrophobicContact CB-CG 4.06Å; A14-N355 WeakPolarHBondContact CA-OD1 3.47Å; A14-N355 PolarHBondContact N-OD1 2.78Å; A14-N1034 HydrophobicContact CB-CB 4.22Å; A14-N1034 PolarHBondContact N-O 3.48Å; A14-N1034 VanDerWaalsContact N-O 3.07Å |
| 15 | V | 97.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | trans | -91.2 | 121.6 | 176.6 | 177.1 | 0 | 0 | 0 | 0 | 109.5 | I33 K35 S326 S331 | V15-I33 HydrophobicContact CB-CG2 4.34Å; V15-I33 HydrophobicContact CG1-CG2 3.69Å; V15-I33 HydrophobicContact CG2-CG2 3.79Å; V15-K35 HydrophobicContact CG2-CG 4.47Å; V15-S326 PolarHBondContact N-O 2.94Å; V15-S331 WeakPolarHBondContact CG2-OG 3.47Å | ||
| 16 | N | 94.3 | Very high | 95.5 | Very high | 47 Ų | 47 | 24.7 Ų | 24.7 | 25% | 0.251 | 15% | 0.146 | S | C | . | . | trans | -92.3 | -36.8 | 178.1 | -61.8 | 105.4 | 0 | 0 | 0 | 112.5 | A34 N36 | N16-A34 PolarHBondContact N-O 2.84Å; N16-N36 VanDerWaalsContact OD1-CA 3.28Å; N16-N36 WeakPolarHBondContact OD1-CA 3.18Å; N16-N36 PolarHBondContact OD1-N 3.39Å | ||
| 17 | A | 94.9 | Very high | 95.3 | Very high | 33 Ų | 33 | 32.5 Ų | 32.5 | 27% | 0.273 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 153 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | A34 M64 | A17-A34 HydrophobicContact CB-CB 4.22Å; A17-A34 PolarHBondContact O-N 2.92Å; A17-M64 HydrophobicContact CB-CE 4.15Å |
| 18 | C | 96.6 | Very high | 95.3 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 12% | 0.115 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 142.3 | 175.7 | 52.7 | 0 | 0 | 0 | 0 | 109.6 | L31 L32 C313 T315 F323 | C18-L31 HydrophobicContact CB-CD1 4.36Å; C18-L32 VanDerWaalsContact CA-O 3.29Å; C18-L32 WeakPolarHBondContact CA-O 3.42Å; C18-C313 HydrophobicContact CB-CB 4.38Å; C18-C313 WeakPolarHBondContact CB-SG 3.45Å; C18-C313 PolarHBondContact N-SG 2.78Å; C18-C313 WeakPolarHBondContact SG-CB 3.39Å; C18-C313 CovalentContact SG-SG 2.06Å; C18-C313 PolarHBondContact SG-SG 2.82Å; C18-T315 PolarHBondContact O-OG1 3.15Å; C18-T315 PolarHBondContact SG-OG1 2.88Å; C18-F323 HydrophobicContact CB-CD1 4.07Å; C18-F323 HydrophobicContact CB-CE1 4.04Å |
| 19 | I | 96.4 | Very high | 95.3 | Very high | 26 Ų | 26 | 36.1 Ų | 36.1 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 148.5 | 179.6 | -165.4 | 166.4 | 0 | 0 | 0 | 110.6 | L32 M64 L66 | I19-L32 HydrophobicContact CG2-CB 3.84Å; I19-L32 PolarHBondContact N-O 3.43Å; I19-L32 PolarHBondContact O-N 3.05Å; I19-M64 HydrophobicContact CB-CE 4.4Å; I19-M64 HydrophobicContact CG2-CE 3.83Å; I19-M64 HydrophobicContact CG2-CG 4.32Å; I19-M64 HydrophobicContact CG2-SD 4.36Å; I19-L66 HydrophobicContact CD1-CB 3.94Å; I19-L66 HydrophobicContact CD1-CG 4.22Å; I19-L66 VanDerWaalsContact CD1-N 3.31Å; I19-L66 HydrophobicContact CG1-CD1 4.3Å; I19-L66 HydrophobicContact CG2-CD1 3.93Å; I19-L66 HydrophobicContact CG2-CG 4.08Å |
| 20 | T | 96.4 | Very high | 95.5 | Very high | 41 Ų | 41 | 35.7 Ų | 35.7 | 25% | 0.252 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 150 | 173.7 | -168.9 | 0 | 0 | 0 | 0 | 111.9 | L29 N30 T315 | T20-L29 VanDerWaalsContact OG1-CD1 3.3Å; T20-L29 WeakPolarHBondContact OG1-CD1 3.06Å; T20-N30 VanDerWaalsContact CA-O 3.23Å; T20-N30 WeakPolarHBondContact CA-O 3.47Å; T20-N30 WeakPolarHBondContact CB-O 3.24Å; T20-N30 PolarHBondContact OG1-O 3.5Å; T20-T315 VanDerWaalsContact CB-CG2 3.45Å; T20-T315 HydrophobicContact CG2-CG2 3.56Å |
| 21 | G | 94.8 | Very high | 95.7 | Very high | 9 Ų | 9 | 33.6 Ų | 33.6 | 9% | 0.093 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.3 | -161 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | N30 | G21-N30 PolarHBondContact N-O 3.44Å; G21-N30 WeakPolarHBondContact O-CA 3.42Å; G21-N30 WeakPolarHBondContact O-CB 3.46Å; G21-N30 PolarHBondContact O-N 3.05Å |
| 22 | H | 96.4 | Very high | 95.8 | Very high | 58 Ų | 58 | 29.4 Ų | 29.4 | 27% | 0.269 | 17% | 0.169 | S | C | . | . | trans | -118 | 73.8 | -171.8 | -61.7 | -74.3 | 0 | 0 | 0 | 110.2 | S25 A26 D28 R68 D75 | H22-S25 CarbonylContact C-O 3.59Å; H22-S25 WeakPolarHBondContact CB-O 3.15Å; H22-A26 PolarHBondContact ND1-O 3.03Å; H22-D28 PolarHBondContact ND1-O 2.81Å; H22-R68 PolarHBondContact CD2-NH2 2.95Å; H22-D75 PolarHBondContact N-OD2 3.43Å; H22-D75 WeakPolarHBondContact O-CB 3.27Å; H22-D75 PolarHBondContact O-N 3.03Å | ||
| 23 | F | 96.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -90.9 | -40 | -171.5 | -175.6 | -121.4 | 0 | 0 | 0 | 113 | N30 L32 I41 L66 K74 D75 L77 Y91 I100 | F23-N30 HydrophobicContact CB-CB 4.45Å; F23-N30 PolarHBondContact N-OD1 2.71Å; F23-L32 HydrophobicContact CB-CD1 4.08Å; F23-L32 HydrophobicContact CD1-CD1 4.33Å; F23-L32 HydrophobicContact CD1-CD2 4.05Å; F23-L32 HydrophobicContact CE1-CD2 4.44Å; F23-L32 HydrophobicContact CG-CD1 4.48Å; F23-L32 HydrophobicContact CG-CD2 4.26Å; F23-I41 HydrophobicContact CD1-CD1 4.18Å; F23-I41 HydrophobicContact CD1-CG2 4.45Å; F23-I41 HydrophobicContact CE1-CD1 3.8Å; F23-L66 HydrophobicContact CB-CD2 4.28Å; F23-L66 HydrophobicContact CD2-CD2 3.96Å; F23-L66 HydrophobicContact CG-CD2 4.36Å; F23-K74 WeakPolarHBondContact O-CD 3.31Å; F23-D75 WeakPolarHBondContact CD2-O 3.08Å; F23-L77 HydrophobicContact CD2-CB 4.14Å; F23-L77 HydrophobicContact CE2-CB 3.55Å; F23-L77 HydrophobicContact CZ-CB 3.98Å; F23-L77 HydrophobicContact CZ-CD2 4.23Å; F23-Y91 HydrophobicContact CE1-CD2 4.33Å; F23-Y91 HydrophobicContact CE1-CG 4.47Å; F23-Y91 WeakPolarHBondContact O-CB 3.17Å; F23-I100 HydrophobicContact CE1-CD1 4.16Å |
| 24 | T | 94.3 | Very high | 95.9 | Very high | 16 Ų | 16 | 28.7 Ų | 28.7 | 10% | 0.098 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -76.4 | -49.6 | -178.2 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | D28 N30 I41 V52 Y91 | T24-D28 WeakPolarHBondContact OG1-CB 3.12Å; T24-N30 VanDerWaalsContact CG2-ND2 3.33Å; T24-N30 WeakPolarHBondContact CG2-ND2 3.17Å; T24-N30 PolarHBondContact N-OD1 2.75Å; T24-N30 VanDerWaalsContact OG1-CG 3.24Å; T24-N30 PolarHBondContact OG1-ND2 2.84Å; T24-N30 PolarHBondContact OG1-OD1 3.26Å; T24-I41 HydrophobicContact CG2-CG2 4.12Å; T24-V52 HydrophobicContact CG2-CG1 4.39Å; T24-Y91 HydrophobicContact CG2-CD1 4.28Å; T24-Y91 HydrophobicContact CG2-CD2 4.16Å; T24-Y91 HydrophobicContact CG2-CE1 4.17Å; T24-Y91 HydrophobicContact CG2-CE2 4.04Å; T24-Y91 HydrophobicContact CG2-CG 4.29Å |
| 25 | S | 94.1 | Very high | 95.9 | Very high | 34 Ų | 34 | 30.3 Ų | 30.3 | 24% | 0.238 | 17% | 0.171 | C | C | . | . | trans | -142.3 | 173.4 | 171.7 | 83.3 | 0 | 0 | 0 | 0 | 110.4 | H22 E27 D28 | H22-S25 CarbonylContact C-O 3.59Å; H22-S25 WeakPolarHBondContact CB-O 3.15Å; S25-E27 VanDerWaalsContact C-N 3.27Å; S25-E27 PolarHBondContact OG-N 3.35Å; S25-D28 VanDerWaalsContact CB-OD2 3.28Å; S25-D28 WeakPolarHBondContact CB-OD2 2.93Å; S25-D28 WeakPolarHBondContact OG-CB 3.26Å; S25-D28 PolarHBondContact OG-N 2.75Å; S25-D28 PolarHBondContact OG-OD2 3.27Å | ||
| 26 | A | 93.1 | Very high | 95.8 | Very high | 39 Ų | 39 | 30.4 Ų | 30.4 | 32% | 0.322 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -73.1 | -20.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H22 S73 | H22-A26 PolarHBondContact ND1-O 3.03Å; A26-S73 WeakPolarHBondContact CB-O 3.45Å |
| 27 | E | 93.5 | Very high | 95.8 | Very high | 168 Ų | 168 | 29.4 Ų | 29.4 | 79% | 0.785 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -100.2 | -31.1 | -175.4 | -55.7 | -59.2 | 145.2 | 0 | 0 | 111.7 | S25 | S25-E27 VanDerWaalsContact C-N 3.27Å; S25-E27 PolarHBondContact OG-N 3.35Å |
| 28 | D | 94.2 | Very high | 95.8 | Very high | 63 Ų | 63 | 30.4 Ų | 30.4 | 34% | 0.337 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -73.9 | 132.5 | -179.2 | -64.1 | -46.5 | 0 | 0 | 0 | 110.4 | H22 T24 S25 | H22-D28 PolarHBondContact ND1-O 2.81Å; T24-D28 WeakPolarHBondContact OG1-CB 3.12Å; S25-D28 VanDerWaalsContact CB-OD2 3.28Å; S25-D28 WeakPolarHBondContact CB-OD2 2.93Å; S25-D28 WeakPolarHBondContact OG-CB 3.26Å; S25-D28 PolarHBondContact OG-N 2.75Å; S25-D28 PolarHBondContact OG-OD2 3.27Å |
| 29 | L | 96.1 | Very high | 95.8 | Very high | 43 Ų | 43 | 29.6 Ų | 29.6 | 23% | 0.225 | 16% | 0.158 | C | C | . | . | trans | -86 | 120.9 | 166.6 | -175 | 65.5 | 0 | 0 | 0 | 108.7 | T20 V44 D318 | T20-L29 VanDerWaalsContact OG1-CD1 3.3Å; T20-L29 WeakPolarHBondContact OG1-CD1 3.06Å; L29-V44 HydrophobicContact CB-CB 4.27Å; L29-V44 HydrophobicContact CB-CG2 4.34Å; L29-V44 HydrophobicContact CD2-CB 4.21Å; L29-V44 HydrophobicContact CD2-CG1 4.41Å; L29-V44 HydrophobicContact CD2-CG2 4.02Å; L29-V44 HydrophobicContact CG-CB 4.33Å; L29-V44 HydrophobicContact CG-CG2 3.96Å; L29-V44 PolarHBondContact O-N 3.3Å; L29-D318 HydrophobicContact CD2-CB 4.2Å | ||
| 30 | N | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 150.6 | -179.8 | -63.1 | 122.1 | 0 | 0 | 0 | 111.9 | T20 G21 F23 T24 L32 Y42 V43 | T20-N30 VanDerWaalsContact CA-O 3.23Å; T20-N30 WeakPolarHBondContact CA-O 3.47Å; T20-N30 WeakPolarHBondContact CB-O 3.24Å; T20-N30 PolarHBondContact OG1-O 3.5Å; G21-N30 PolarHBondContact N-O 3.44Å; G21-N30 WeakPolarHBondContact O-CA 3.42Å; G21-N30 WeakPolarHBondContact O-CB 3.46Å; G21-N30 PolarHBondContact O-N 3.05Å; F23-N30 HydrophobicContact CB-CB 4.45Å; F23-N30 PolarHBondContact N-OD1 2.71Å; T24-N30 VanDerWaalsContact CG2-ND2 3.33Å; T24-N30 WeakPolarHBondContact CG2-ND2 3.17Å; T24-N30 PolarHBondContact N-OD1 2.75Å; T24-N30 VanDerWaalsContact OG1-CG 3.24Å; T24-N30 PolarHBondContact OG1-ND2 2.84Å; T24-N30 PolarHBondContact OG1-OD1 3.26Å; N30-L32 HydrophobicContact CB-CD1 3.76Å; N30-Y42 VanDerWaalsContact CA-O 3.24Å; N30-Y42 WeakPolarHBondContact CA-O 3.11Å; N30-Y42 WeakPolarHBondContact CB-O 3.4Å; N30-Y42 PolarHBondContact ND2-O 3.02Å; N30-Y42 VanDerWaalsContact ND2-O 3.12Å; N30-V43 WeakPolarHBondContact ND2-CG2 3.11Å |
| 31 | L | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 120.6 | 164.8 | 174.1 | 64 | 0 | 0 | 0 | 107.6 | C18 I33 Y42 L49 T315 L317 F323 | C18-L31 HydrophobicContact CB-CD1 4.36Å; L31-I33 HydrophobicContact CD1-CG1 4.43Å; L31-I33 HydrophobicContact CD2-CD1 4.05Å; L31-I33 HydrophobicContact CD2-CG1 4.28Å; L31-I33 HydrophobicContact CG-CD1 4.29Å; L31-I33 HydrophobicContact CG-CG1 3.98Å; L31-Y42 PolarHBondContact N-O 2.96Å; L31-Y42 PolarHBondContact O-N 2.91Å; L31-L49 HydrophobicContact CB-CD2 4.3Å; L31-L49 HydrophobicContact CD2-CD1 3.67Å; L31-L49 HydrophobicContact CD2-CD2 3.85Å; L31-L49 HydrophobicContact CD2-CG 4.44Å; L31-T315 HydrophobicContact CD1-CG2 4.05Å; L31-L317 HydrophobicContact CB-CD2 4.11Å; L31-L317 HydrophobicContact CD1-CD2 4.14Å; L31-L317 HydrophobicContact CD2-CD2 4.33Å; L31-L317 HydrophobicContact CG-CD2 4.42Å; L31-F323 HydrophobicContact CD1-CB 4.49Å; L31-F323 HydrophobicContact CD1-CD1 4.23Å; L31-F323 HydrophobicContact CD1-CG 4.47Å; L31-F323 HydrophobicContact CD2-CB 3.91Å; L31-F323 HydrophobicContact CD2-CD1 4.05Å; L31-F323 HydrophobicContact CD2-CD2 3.9Å; L31-F323 HydrophobicContact CD2-CE2 4.47Å; L31-F323 HydrophobicContact CD2-CG 3.66Å |
| 32 | L | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 131 | 175.2 | -81.8 | 67.7 | 0 | 0 | 0 | 108.5 | C18 I19 F23 N30 L39 E40 I41 M64 L66 L77 | C18-L32 VanDerWaalsContact CA-O 3.29Å; C18-L32 WeakPolarHBondContact CA-O 3.42Å; I19-L32 HydrophobicContact CG2-CB 3.84Å; I19-L32 PolarHBondContact N-O 3.43Å; I19-L32 PolarHBondContact O-N 3.05Å; F23-L32 HydrophobicContact CB-CD1 4.08Å; F23-L32 HydrophobicContact CD1-CD1 4.33Å; F23-L32 HydrophobicContact CD1-CD2 4.05Å; F23-L32 HydrophobicContact CE1-CD2 4.44Å; F23-L32 HydrophobicContact CG-CD1 4.48Å; F23-L32 HydrophobicContact CG-CD2 4.26Å; N30-L32 HydrophobicContact CB-CD1 3.76Å; L32-L39 HydrophobicContact CB-CD1 4.31Å; L32-L39 HydrophobicContact CD2-CD1 4.41Å; L32-E40 WeakPolarHBondContact CA-O 3.25Å; L32-I41 HydrophobicContact CD1-CG2 4.18Å; L32-I41 HydrophobicContact CG-CG1 4.31Å; L32-M64 HydrophobicContact CB-CE 4.48Å; L32-M64 HydrophobicContact CB-SD 4.28Å; L32-L66 HydrophobicContact CD2-CD2 4.31Å; L32-L77 HydrophobicContact CD2-CD1 3.77Å; L32-L77 HydrophobicContact CD2-CD2 3.65Å; L32-L77 HydrophobicContact CD2-CG 4.25Å |
| 33 | I | 97.9 | Very high | 95.7 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 126.6 | -176.8 | -51.9 | 179.7 | 0 | 0 | 0 | 108.9 | V15 L31 K35 L39 E40 Y42 F323 | V15-I33 HydrophobicContact CB-CG2 4.34Å; V15-I33 HydrophobicContact CG1-CG2 3.69Å; V15-I33 HydrophobicContact CG2-CG2 3.79Å; L31-I33 HydrophobicContact CD1-CG1 4.43Å; L31-I33 HydrophobicContact CD2-CD1 4.05Å; L31-I33 HydrophobicContact CD2-CG1 4.28Å; L31-I33 HydrophobicContact CG-CD1 4.29Å; L31-I33 HydrophobicContact CG-CG1 3.98Å; I33-K35 HydrophobicContact CG2-CG 4.23Å; I33-L39 WeakPolarHBondContact O-CA 3.26Å; I33-E40 HydrophobicContact CB-CB 4.31Å; I33-E40 PolarHBondContact N-O 2.76Å; I33-E40 PolarHBondContact O-N 2.81Å; I33-Y42 HydrophobicContact CD1-CD2 4Å; I33-Y42 HydrophobicContact CD1-CE2 3.72Å; I33-Y42 HydrophobicContact CG1-CD2 4.36Å; I33-Y42 HydrophobicContact CG1-CE2 4.32Å; I33-F323 HydrophobicContact CD1-CE1 3.87Å; I33-F323 HydrophobicContact CD1-CE2 4.03Å; I33-F323 HydrophobicContact CD1-CZ 3.53Å; I33-F323 HydrophobicContact CG1-CE1 4.26Å; I33-F323 HydrophobicContact CG1-CZ 4.39Å |
| 34 | A | 97.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 118.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | N16 A17 I61 M64 | N16-A34 PolarHBondContact N-O 2.84Å; A17-A34 HydrophobicContact CB-CB 4.22Å; A17-A34 PolarHBondContact O-N 2.92Å; A34-I61 HydrophobicContact CB-CB 4.23Å; A34-I61 HydrophobicContact CB-CD1 3.95Å; A34-I61 HydrophobicContact CB-CG2 3.95Å; A34-M64 HydrophobicContact CB-CE 3.88Å; A34-M64 HydrophobicContact CB-SD 4.01Å |
| 35 | K | 96.7 | Very high | 95.4 | Very high | 33 Ų | 33 | 30.3 Ų | 30.3 | 14% | 0.143 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 83.7 | 172.1 | -64.5 | -173.2 | -177.2 | 160.9 | 0 | 109.3 | P12 V15 I33 T37 R38 E40 | P12-K35 WeakPolarHBondContact O-CD 3.15Å; V15-K35 HydrophobicContact CG2-CG 4.47Å; I33-K35 HydrophobicContact CG2-CG 4.23Å; K35-T37 PolarHBondContact O-N 3.49Å; K35-R38 HydrophobicContact CB-CB 4.32Å; K35-R38 PolarHBondContact N-O 3.2Å; K35-R38 PolarHBondContact O-N 3.5Å; K35-E40 WeakPolarHBondContact CD-OE1 3.26Å; K35-E40 WeakPolarHBondContact CE-OE1 3.13Å; K35-E40 VanDerWaalsContact NZ-CD 3.31Å; K35-E40 IonicContact NZ-OE1 3.49Å; K35-E40 PolarHBondContact NZ-OE1 2.83Å; K35-E40 IonicContact NZ-OE2 3.17Å; K35-E40 PolarHBondContact NZ-OE2 2.79Å; K35-E40 VanDerWaalsContact NZ-OE2 3.15Å |
| 36 | N | 95.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | -87.2 | -174.6 | -168.6 | 38.7 | 0 | 0 | 0 | 113.4 | P12 N16 K60 I61 G1001 E1002 | P12-N36 HydrophobicContact CB-CB 4.37Å; P12-N36 HydrophobicContact CG-CB 4.45Å; N16-N36 VanDerWaalsContact OD1-CA 3.28Å; N16-N36 WeakPolarHBondContact OD1-CA 3.18Å; N16-N36 PolarHBondContact OD1-N 3.39Å; N36-K60 VanDerWaalsContact OD1-CB 3.32Å; N36-K60 WeakPolarHBondContact OD1-CB 3.45Å; N36-K60 WeakPolarHBondContact OD1-CE 3.34Å; N36-K60 VanDerWaalsContact OD1-CG 3.24Å; N36-K60 WeakPolarHBondContact OD1-CG 3.28Å; N36-K60 PolarHBondContact OD1-NZ 3.46Å; N36-I61 WeakPolarHBondContact O-CG1 3.49Å; N36-I61 PolarHBondContact O-N 2.72Å; N36-G1001 PolarHBondContact ND2-O 3.5Å; N36-E1002 PolarHBondContact ND2-OE1 2.73Å; N36-E1002 PolarHBondContact ND2-OE2 3.42Å |
| 37 | T | 95.4 | Very high | 93.9 | Very high | 26 Ų | 26 | 41.5 Ų | 41.5 | 16% | 0.16 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -3.2 | 179.7 | 59.2 | 0 | 0 | 0 | 0 | 113.7 | K35 M57 W1074 | K35-T37 PolarHBondContact O-N 3.49Å; T37-M57 PolarHBondContact O-N 2.86Å; T37-W1074 HydrophobicContact CG2-CH2 3.71Å; T37-W1074 HydrophobicContact CG2-CZ2 3.79Å |
| 38 | R | 94.8 | Very high | 93.5 | Very high | 55 Ų | 55 | 34.1 Ų | 34.1 | 21% | 0.208 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 142.2 | -178.2 | -56.7 | -67.1 | -72.5 | -175.5 | -1.7 | 111 | K35 E54 | K35-R38 HydrophobicContact CB-CB 4.32Å; K35-R38 PolarHBondContact N-O 3.2Å; K35-R38 PolarHBondContact O-N 3.5Å; R38-E54 IonicContact CZ-OE1 3.79Å; R38-E54 IonicContact NE-OE1 3.29Å; R38-E54 PolarHBondContact NE-OE1 2.98Å; R38-E54 IonicContact NH2-OE1 3.62Å; R38-E54 PolarHBondContact NH2-OE1 3.12Å; R38-E54 IonicContact NH2-OE2 3.25Å; R38-E54 PolarHBondContact NH2-OE2 3.47Å |
| 39 | L | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 117.5 | 169.6 | 175.7 | 68.6 | 0 | 0 | 0 | 108.5 | L32 I33 I41 E54 V55 I61 M64 L77 I79 | L32-L39 HydrophobicContact CB-CD1 4.31Å; L32-L39 HydrophobicContact CD2-CD1 4.41Å; I33-L39 WeakPolarHBondContact O-CA 3.26Å; L39-I41 HydrophobicContact CG-CG1 4.32Å; L39-E54 WeakPolarHBondContact O-CA 3.48Å; L39-V55 HydrophobicContact CB-CG2 3.9Å; L39-V55 HydrophobicContact CD2-CG2 4.13Å; L39-V55 HydrophobicContact CG-CG2 4.4Å; L39-V55 PolarHBondContact N-O 3.45Å; L39-V55 PolarHBondContact O-N 2.73Å; L39-I61 HydrophobicContact CB-CD1 4.32Å; L39-M64 HydrophobicContact CD1-SD 3.57Å; L39-M64 VanDerWaalsContact CD1-SD 3.57Å; L39-L77 HydrophobicContact CD1-CD2 4.42Å; L39-L77 HydrophobicContact CD2-CD2 3.58Å; L39-I79 HydrophobicContact CD2-CD1 4.23Å |
| 40 | E | 95.9 | Very high | 92.7 | Very high | 19 Ų | 19 | 37.2 Ų | 37.2 | 9% | 0.089 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 136.2 | 173.5 | -65.8 | 174.1 | -169.7 | 0 | 0 | 110 | L32 I33 K35 Y42 E54 | L32-E40 WeakPolarHBondContact CA-O 3.25Å; I33-E40 HydrophobicContact CB-CB 4.31Å; I33-E40 PolarHBondContact N-O 2.76Å; I33-E40 PolarHBondContact O-N 2.81Å; K35-E40 WeakPolarHBondContact CD-OE1 3.26Å; K35-E40 WeakPolarHBondContact CE-OE1 3.13Å; K35-E40 VanDerWaalsContact NZ-CD 3.31Å; K35-E40 IonicContact NZ-OE1 3.49Å; K35-E40 PolarHBondContact NZ-OE1 2.83Å; K35-E40 IonicContact NZ-OE2 3.17Å; K35-E40 PolarHBondContact NZ-OE2 2.79Å; K35-E40 VanDerWaalsContact NZ-OE2 3.15Å; E40-Y42 HydrophobicContact CB-CD2 4.31Å; E40-Y42 HydrophobicContact CB-CE2 3.52Å; E40-Y42 HydrophobicContact CG-CE2 4.43Å; E40-Y42 WeakPolarHBondContact OE2-CE2 3.36Å; E40-Y42 PolarHBondContact OE2-OH 2.94Å; E40-E54 HydrophobicContact CG-CB 4.49Å; E40-E54 HydrophobicContact CG-CG 3.88Å |
| 41 | I | 96.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 120.9 | -178.2 | -51.9 | 171.5 | 0 | 0 | 0 | 108.5 | F23 T24 L32 L39 V52 K53 I100 | F23-I41 HydrophobicContact CD1-CD1 4.18Å; F23-I41 HydrophobicContact CD1-CG2 4.45Å; F23-I41 HydrophobicContact CE1-CD1 3.8Å; T24-I41 HydrophobicContact CG2-CG2 4.12Å; L32-I41 HydrophobicContact CD1-CG2 4.18Å; L32-I41 HydrophobicContact CG-CG1 4.31Å; L39-I41 HydrophobicContact CG-CG1 4.32Å; I41-V52 WeakPolarHBondContact O-CB 3.34Å; I41-V52 PolarHBondContact O-N 3.27Å; I41-K53 WeakPolarHBondContact CB-O 3.49Å; I41-K53 HydrophobicContact CD1-CB 4.38Å; I41-K53 PolarHBondContact N-O 2.83Å; I41-K53 PolarHBondContact O-N 3.34Å; I41-I100 HydrophobicContact CD1-CD1 3.84Å |
| 42 | Y | 95.4 | Very high | 91.8 | Very high | 47 Ų | 47 | 42 Ų | 42 | 18% | 0.184 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 155.1 | 176.9 | -60.6 | -93.9 | 0 | 0 | 0 | 111.2 | N30 L31 I33 E40 L49 R50 P51 | N30-Y42 VanDerWaalsContact CA-O 3.24Å; N30-Y42 WeakPolarHBondContact CA-O 3.11Å; N30-Y42 WeakPolarHBondContact CB-O 3.4Å; N30-Y42 PolarHBondContact ND2-O 3.02Å; N30-Y42 VanDerWaalsContact ND2-O 3.12Å; L31-Y42 PolarHBondContact N-O 2.96Å; L31-Y42 PolarHBondContact O-N 2.91Å; I33-Y42 HydrophobicContact CD1-CD2 4Å; I33-Y42 HydrophobicContact CD1-CE2 3.72Å; I33-Y42 HydrophobicContact CG1-CD2 4.36Å; I33-Y42 HydrophobicContact CG1-CE2 4.32Å; E40-Y42 HydrophobicContact CB-CD2 4.31Å; E40-Y42 HydrophobicContact CB-CE2 3.52Å; E40-Y42 HydrophobicContact CG-CE2 4.43Å; E40-Y42 WeakPolarHBondContact OE2-CE2 3.36Å; E40-Y42 PolarHBondContact OE2-OH 2.94Å; Y42-L49 HydrophobicContact CD1-CB 3.99Å; Y42-L49 HydrophobicContact CG-CB 4.36Å; Y42-R50 CarbonylContact C-O 3.52Å; Y42-R50 VanDerWaalsContact CA-O 3.31Å; Y42-R50 WeakPolarHBondContact CA-O 3.35Å; Y42-P51 HydrophobicContact CD1-CB 4.03Å; Y42-P51 HydrophobicContact CE1-CB 3.82Å |
| 43 | V | 95.1 | Very high | 91.4 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 5% | 0.048 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 132.3 | 166.2 | 169.7 | 0 | 0 | 0 | 0 | 108.1 | N30 T45 R50 V52 | N30-V43 WeakPolarHBondContact ND2-CG2 3.11Å; V43-T45 HydrophobicContact CG1-CG2 4.24Å; V43-T45 PolarHBondContact O-N 3.47Å; V43-R50 PolarHBondContact N-O 2.81Å; V43-R50 PolarHBondContact O-N 2.94Å; V43-V52 HydrophobicContact CB-CG2 4.14Å; V43-V52 HydrophobicContact CG2-CG2 3.43Å; V43-V52 VanDerWaalsContact CG2-CG2 3.43Å |
| 44 | V | 93.6 | Very high | 91.1 | Very high | 34 Ų | 34 | 46 Ų | 46 | 21% | 0.206 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 124.1 | 175.6 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | L29 L49 L317 | L29-V44 HydrophobicContact CB-CB 4.27Å; L29-V44 HydrophobicContact CB-CG2 4.34Å; L29-V44 HydrophobicContact CD2-CB 4.21Å; L29-V44 HydrophobicContact CD2-CG1 4.41Å; L29-V44 HydrophobicContact CD2-CG2 4.02Å; L29-V44 HydrophobicContact CG-CB 4.33Å; L29-V44 HydrophobicContact CG-CG2 3.96Å; L29-V44 PolarHBondContact O-N 3.3Å; V44-L49 HydrophobicContact CG2-CD2 4.19Å; V44-L317 HydrophobicContact CG1-CB 4.18Å; V44-L317 HydrophobicContact CG1-CD1 4.39Å; V44-L317 HydrophobicContact CG2-CB 4.23Å; V44-L317 HydrophobicContact CG2-CD1 4.12Å; V44-L317 HydrophobicContact CG2-CD2 3.91Å; V44-L317 HydrophobicContact CG2-CG 4.31Å |
| 45 | T | 89.9 | Confident | 90.8 | Very high | 55 Ų | 55 | 46.8 Ų | 46.8 | 34% | 0.337 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 167.5 | 178 | 67.8 | 0 | 0 | 0 | 0 | 110.2 | V43 E47 G48 R50 | V43-T45 HydrophobicContact CG1-CG2 4.24Å; V43-T45 PolarHBondContact O-N 3.47Å; T45-E47 PolarHBondContact O-N 3.43Å; T45-G48 PolarHBondContact N-O 3.46Å; T45-G48 PolarHBondContact O-N 3Å; T45-G48 VanDerWaalsContact O-O 3.13Å; T45-G48 PolarHBondContact OG1-N 3.1Å; T45-G48 PolarHBondContact OG1-O 3Å; T45-R50 HydrophobicContact CG2-CB 3.94Å |
| 46 | A | 80.2 | Confident | 90.6 | Very high | 114 Ų | 114 | 46.7 Ų | 46.7 | 94% | 0.942 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -26.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 47 | E | 75.7 | Confident | 90.4 | Very high | 194 Ų | 194 | 46.8 Ų | 46.8 | 91% | 0.907 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -7.9 | -178.1 | -63.6 | 179.8 | -179.5 | 0 | 0 | 113.1 | T45 | T45-E47 PolarHBondContact O-N 3.43Š|
| 48 | G | 84.1 | Confident | 90.3 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 12% | 0.124 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 137.8 | -146.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T45 | T45-G48 PolarHBondContact N-O 3.46Å; T45-G48 PolarHBondContact O-N 3Å; T45-G48 VanDerWaalsContact O-O 3.13Å; T45-G48 PolarHBondContact OG1-N 3.1Å; T45-G48 PolarHBondContact OG1-O 3Å |
| 49 | L | 87.4 | Confident | 90.3 | Very high | 28 Ų | 28 | 44.9 Ų | 44.9 | 15% | 0.147 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 121.1 | -178.1 | -65.8 | 172.5 | 0 | 0 | 0 | 110.9 | L31 Y42 V44 L317 F323 L333 F353 | L31-L49 HydrophobicContact CB-CD2 4.3Å; L31-L49 HydrophobicContact CD2-CD1 3.67Å; L31-L49 HydrophobicContact CD2-CD2 3.85Å; L31-L49 HydrophobicContact CD2-CG 4.44Å; Y42-L49 HydrophobicContact CD1-CB 3.99Å; Y42-L49 HydrophobicContact CG-CB 4.36Å; V44-L49 HydrophobicContact CG2-CD2 4.19Å; L49-L317 HydrophobicContact CD2-CD1 3.93Å; L49-F323 HydrophobicContact CD1-CD2 4.3Å; L49-L333 HydrophobicContact CD1-CD1 4.23Å; L49-F353 HydrophobicContact CD1-CZ 4.37Å |
| 50 | R | 86.4 | Confident | 90.3 | Very high | 143 Ų | 143 | 46 Ų | 46 | 54% | 0.54 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 119 | 173.4 | -173 | 178.5 | 66.6 | -179.3 | -1.5 | 110.1 | Y42 V43 T45 | Y42-R50 CarbonylContact C-O 3.52Å; Y42-R50 VanDerWaalsContact CA-O 3.31Å; Y42-R50 WeakPolarHBondContact CA-O 3.35Å; V43-R50 PolarHBondContact N-O 2.81Å; V43-R50 PolarHBondContact O-N 2.94Å; T45-R50 HydrophobicContact CG2-CB 3.94Å |
| 51 | P | 87.1 | Confident | 90.3 | Very high | 85 Ų | 85 | 45.8 Ų | 45.8 | 55% | 0.552 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 136.4 | 175.1 | 27 | -33.1 | 0 | 0 | 0 | 110.3 | Y42 | Y42-P51 HydrophobicContact CD1-CB 4.03Å; Y42-P51 HydrophobicContact CE1-CB 3.82Å |
| 52 | V | 89.8 | Confident | 90.2 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 10% | 0.097 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | -51.6 | 177.5 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | T24 I41 V43 Y91 I98 | T24-V52 HydrophobicContact CG2-CG1 4.39Å; I41-V52 WeakPolarHBondContact O-CB 3.34Å; I41-V52 PolarHBondContact O-N 3.27Å; V43-V52 HydrophobicContact CB-CG2 4.14Å; V43-V52 HydrophobicContact CG2-CG2 3.43Å; V43-V52 VanDerWaalsContact CG2-CG2 3.43Å; V52-Y91 HydrophobicContact CG1-CE2 3.98Å; V52-Y91 WeakPolarHBondContact CG1-OH 3.37Å; V52-I98 HydrophobicContact CG1-CD1 4.28Å |
| 53 | K | 89.3 | Confident | 90.3 | Very high | 55 Ų | 55 | 46.2 Ų | 46.2 | 24% | 0.239 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 138.9 | -177.6 | -167.1 | 64.8 | 173.6 | 177.7 | 0 | 110.9 | I41 V55 I98 | I41-K53 WeakPolarHBondContact CB-O 3.49Å; I41-K53 HydrophobicContact CD1-CB 4.38Å; I41-K53 PolarHBondContact N-O 2.83Å; I41-K53 PolarHBondContact O-N 3.34Å; K53-V55 HydrophobicContact CG-CG1 3.89Å; K53-I98 HydrophobicContact CB-CG2 4.16Å; K53-I98 HydrophobicContact CD-CB 4.29Å; K53-I98 HydrophobicContact CD-CG2 4.03Å; K53-I98 HydrophobicContact CG-CG2 3.98Å |
| 54 | E | 91.4 | Very high | 90.4 | Very high | 35 Ų | 35 | 46.3 Ų | 46.3 | 16% | 0.164 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 130.5 | 167.6 | -174.2 | -165.4 | 165.9 | 0 | 0 | 109.2 | K11 R38 L39 E40 | K11-E54 WeakPolarHBondContact CD-OE1 3.43Å; K11-E54 VanDerWaalsContact NZ-CD 3.28Å; K11-E54 IonicContact NZ-OE1 2.72Å; K11-E54 PolarHBondContact NZ-OE1 3.1Å; K11-E54 IonicContact NZ-OE2 3.35Å; K11-E54 PolarHBondContact NZ-OE2 2.92Å; R38-E54 IonicContact CZ-OE1 3.79Å; R38-E54 IonicContact NE-OE1 3.29Å; R38-E54 PolarHBondContact NE-OE1 2.98Å; R38-E54 IonicContact NH2-OE1 3.62Å; R38-E54 PolarHBondContact NH2-OE1 3.12Å; R38-E54 IonicContact NH2-OE2 3.25Å; R38-E54 PolarHBondContact NH2-OE2 3.47Å; L39-E54 WeakPolarHBondContact O-CA 3.48Å; E40-E54 HydrophobicContact CG-CB 4.49Å; E40-E54 HydrophobicContact CG-CG 3.88Å |
| 55 | V | 91.5 | Very high | 90.5 | Very high | 18 Ų | 18 | 48 Ų | 48 | 11% | 0.109 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 143.1 | 177.5 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | L39 K53 I100 V1065 | L39-V55 HydrophobicContact CB-CG2 3.9Å; L39-V55 HydrophobicContact CD2-CG2 4.13Å; L39-V55 HydrophobicContact CG-CG2 4.4Å; L39-V55 PolarHBondContact N-O 3.45Å; L39-V55 PolarHBondContact O-N 2.73Å; K53-V55 HydrophobicContact CG-CG1 3.89Å; V55-I100 HydrophobicContact CG1-CG1 3.97Å; V55-I100 HydrophobicContact CG2-CG1 4.45Å; V55-V1065 HydrophobicContact CB-CG2 4.39Å |
| 56 | G | 90.5 | Very high | 90.9 | Very high | 30 Ų | 30 | 46.5 Ų | 46.5 | 31% | 0.309 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 146.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 57 | M | 92.3 | Very high | 91.6 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.03 | 22% | 0.217 | C | C | . | . | trans | -120.7 | 145 | 174.7 | -64.5 | -168.7 | 64.3 | 0 | 0 | 110.4 | T37 G59 I61 I79 L89 V1065 | T37-M57 PolarHBondContact O-N 2.86Å; M57-G59 PolarHBondContact O-N 3Å; M57-I61 HydrophobicContact SD-CD1 4.31Å; M57-I61 HydrophobicContact SD-CG1 4.35Å; M57-I79 HydrophobicContact CE-CB 4.34Å; M57-I79 HydrophobicContact CE-CD1 4.1Å; M57-I79 HydrophobicContact CE-CG2 3.78Å; M57-I79 HydrophobicContact SD-CD1 3.45Å; M57-I79 WeakPolarHBondContact SD-CD1 3.36Å; M57-I79 HydrophobicContact SD-CG2 4.13Å; M57-L89 HydrophobicContact CE-CD1 4.46Å; M57-L89 HydrophobicContact SD-CD1 4.48Å; M57-V1065 HydrophobicContact CE-CG1 4.1Å; M57-V1065 HydrophobicContact CG-CB 4.14Å; M57-V1065 HydrophobicContact CG-CG1 3.94Å; M57-V1065 HydrophobicContact SD-CG1 4.13Å | ||
| 58 | Y | 94.4 | Very high | 92.6 | Very high | 41 Ų | 41 | 37.4 Ų | 37.4 | 16% | 0.161 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -80.7 | 63 | 174.6 | -62.8 | -27 | 0 | 0 | 0 | 110.8 | S1064 I1068 H1070 W1074 | Y58-S1064 VanDerWaalsContact CD2-OG 3.31Å; Y58-S1064 WeakPolarHBondContact CD2-OG 3.25Å; Y58-I1068 WeakPolarHBondContact CD2-O 3.49Å; Y58-I1068 WeakPolarHBondContact O-CG2 3.49Å; Y58-H1070 HydrophobicContact CD2-CB 4.16Å; Y58-H1070 AromaticContact CE1-CD2 3.95Å; Y58-H1070 HydrophobicContact CE2-CB 3.9Å; Y58-H1070 AromaticContact CZ-CD2 3.99Å; Y58-W1074 VanDerWaalsContact C-CD2 3.47Å; Y58-W1074 AromaticContact CD1-CD1 3.92Å; Y58-W1074 HydrophobicContact CG-CG 4.39Å |
| 59 | G | 93.3 | Very high | 93 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 170.7 | 146.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112 | M57 I61 | M57-G59 PolarHBondContact O-N 3Å; G59-I61 PolarHBondContact O-N 3.3Å |
| 60 | K | 95.9 | Very high | 93.1 | Very high | 25 Ų | 25 | 45.2 Ų | 45.2 | 11% | 0.109 | 22% | 0.224 | C | C | . | . | trans | -71.3 | 123.2 | 166.7 | -52.1 | 176.3 | 66.2 | 103.2 | 0 | 108.4 | N36 A62 T81 S82 F972 G1001 W1074 | N36-K60 VanDerWaalsContact OD1-CB 3.32Å; N36-K60 WeakPolarHBondContact OD1-CB 3.45Å; N36-K60 WeakPolarHBondContact OD1-CE 3.34Å; N36-K60 VanDerWaalsContact OD1-CG 3.24Å; N36-K60 WeakPolarHBondContact OD1-CG 3.28Å; N36-K60 PolarHBondContact OD1-NZ 3.46Å; K60-A62 PolarHBondContact O-N 3Å; K60-T81 CarbonylContact O-C 3.58Å; K60-T81 WeakPolarHBondContact O-CA 3.39Å; K60-T81 WeakPolarHBondContact O-CB 3.41Å; K60-S82 PolarHBondContact O-N 2.87Å; K60-F972 HydrophobicContact CD-CD2 4.28Å; K60-F972 HydrophobicContact CD-CE2 4.43Å; K60-G1001 WeakPolarHBondContact CD-O 3.13Å; K60-G1001 WeakPolarHBondContact CG-O 3.21Å; K60-G1001 PolarHBondContact NZ-O 2.8Å; K60-W1074 HydrophobicContact CG-CH2 4.25Å; K60-W1074 HydrophobicContact CG-CZ3 4.4Å | ||
| 61 | I | 96.8 | Very high | 93.2 | Very high | 14 Ų | 14 | 41.7 Ų | 41.7 | 7% | 0.072 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 112.7 | 176.7 | -61.2 | 168.8 | 0 | 0 | 0 | 107.6 | A34 N36 L39 M57 G59 M64 I79 | A34-I61 HydrophobicContact CB-CB 4.23Å; A34-I61 HydrophobicContact CB-CD1 3.95Å; A34-I61 HydrophobicContact CB-CG2 3.95Å; N36-I61 WeakPolarHBondContact O-CG1 3.49Å; N36-I61 PolarHBondContact O-N 2.72Å; L39-I61 HydrophobicContact CB-CD1 4.32Å; M57-I61 HydrophobicContact SD-CD1 4.31Å; M57-I61 HydrophobicContact SD-CG1 4.35Å; G59-I61 PolarHBondContact O-N 3.3Å; I61-M64 HydrophobicContact CG2-CB 4.01Å; I61-I79 HydrophobicContact CG1-CG2 4.32Å; I61-I79 HydrophobicContact CG2-CG2 4.29Å |
| 62 | A | 94.9 | Very high | 93.4 | Very high | 44 Ų | 44 | 39.7 Ų | 39.7 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -36.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K60 L80 I120 | K60-A62 PolarHBondContact O-N 3Å; A62-L80 WeakPolarHBondContact CA-O 3.44Å; A62-L80 WeakPolarHBondContact CB-O 3.3Å; A62-L80 PolarHBondContact N-O 3.2Å; A62-I120 HydrophobicContact CB-CB 4.38Å; A62-I120 HydrophobicContact CB-CD1 3.9Å; A62-I120 HydrophobicContact CB-CG2 4.4Å |
| 63 | V | 96.6 | Very high | 93.5 | Very high | 13 Ų | 13 | 43.2 Ų | 43.2 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 138.1 | 174.3 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | E65 F78 I79 L80 I120 | V63-E65 HydrophobicContact CG1-CG 3.98Å; V63-F78 HydrophobicContact CG1-CD1 4.47Å; V63-F78 HydrophobicContact CG1-CE1 4.41Å; V63-I79 WeakPolarHBondContact O-CA 3.43Å; V63-L80 HydrophobicContact CB-CB 3.95Å; V63-L80 HydrophobicContact CG2-CB 4.17Å; V63-L80 HydrophobicContact CG2-CD2 4.19Å; V63-L80 PolarHBondContact N-O 3.34Å; V63-L80 VanDerWaalsContact N-O 3.08Å; V63-L80 PolarHBondContact O-N 3.35Å; V63-I120 HydrophobicContact CG2-CG2 3.65Å |
| 64 | M | 97.1 | Very high | 93.8 | Very high | 10 Ų | 10 | 42 Ų | 42 | 5% | 0.049 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 108.7 | 175.5 | -176.6 | 177.4 | 62.2 | 0 | 0 | 109.4 | A17 I19 L32 A34 L39 I61 L77 F78 | A17-M64 HydrophobicContact CB-CE 4.15Å; I19-M64 HydrophobicContact CB-CE 4.4Å; I19-M64 HydrophobicContact CG2-CE 3.83Å; I19-M64 HydrophobicContact CG2-CG 4.32Å; I19-M64 HydrophobicContact CG2-SD 4.36Å; L32-M64 HydrophobicContact CB-CE 4.48Å; L32-M64 HydrophobicContact CB-SD 4.28Å; A34-M64 HydrophobicContact CB-CE 3.88Å; A34-M64 HydrophobicContact CB-SD 4.01Å; L39-M64 HydrophobicContact CD1-SD 3.57Å; L39-M64 VanDerWaalsContact CD1-SD 3.57Å; I61-M64 HydrophobicContact CG2-CB 4.01Å; M64-L77 HydrophobicContact CG-CD1 3.74Å; M64-F78 WeakPolarHBondContact CA-O 3.49Å |
| 65 | E | 96.6 | Very high | 94.1 | Very high | 71 Ų | 71 | 41 Ų | 41 | 33% | 0.332 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 137.4 | -176.6 | -73.1 | -62.1 | 158.6 | 0 | 0 | 111.9 | V63 F78 V124 | V63-E65 HydrophobicContact CG1-CG 3.98Å; E65-F78 PolarHBondContact N-O 2.76Å; E65-F78 PolarHBondContact O-N 3.38Å; E65-V124 HydrophobicContact CB-CG2 4.06Å |
| 66 | L | 97.1 | Very high | 94.3 | Very high | 22 Ų | 22 | 40.6 Ų | 40.6 | 12% | 0.115 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 139.1 | 175.1 | -77.5 | 173.2 | 0 | 0 | 0 | 109.7 | I19 F23 L32 D75 L76 L77 | I19-L66 HydrophobicContact CD1-CB 3.94Å; I19-L66 HydrophobicContact CD1-CG 4.22Å; I19-L66 VanDerWaalsContact CD1-N 3.31Å; I19-L66 HydrophobicContact CG1-CD1 4.3Å; I19-L66 HydrophobicContact CG2-CD1 3.93Å; I19-L66 HydrophobicContact CG2-CG 4.08Å; F23-L66 HydrophobicContact CB-CD2 4.28Å; F23-L66 HydrophobicContact CD2-CD2 3.96Å; F23-L66 HydrophobicContact CG-CD2 4.36Å; L32-L66 HydrophobicContact CD2-CD2 4.31Å; L66-D75 HydrophobicContact CD2-CB 4.09Å; L66-L76 WeakPolarHBondContact CA-O 3.32Å; L66-L76 WeakPolarHBondContact CD2-O 3.38Å; L66-L77 HydrophobicContact CD2-CB 3.99Å; L66-L77 HydrophobicContact CD2-CD1 3.8Å; L66-L77 HydrophobicContact CG-CD1 4.13Å |
| 67 | F | 96.2 | Very high | 94.7 | Very high | 13 Ų | 13 | 39.1 Ų | 39.1 | 6% | 0.057 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 150.9 | 177.8 | 68.1 | -73.6 | 0 | 0 | 0 | 111.3 | P69 L76 F78 I88 V124 C128 L145 | F67-P69 HydrophobicContact CD2-CG 3.61Å; F67-P69 HydrophobicContact CE2-CG 3.45Å; F67-P69 VanDerWaalsContact CE2-CG 3.45Å; F67-P69 WeakPolarHBondContact O-CD 3.45Å; F67-L76 WeakPolarHBondContact CD1-O 3.43Å; F67-L76 HydrophobicContact CE1-CB 3.98Å; F67-L76 HydrophobicContact CZ-CB 3.99Å; F67-L76 HydrophobicContact CZ-CD1 4.43Å; F67-L76 PolarHBondContact N-O 3.29Å; F67-L76 PolarHBondContact O-N 2.78Å; F67-F78 HydrophobicContact CD1-CB 4.25Å; F67-F78 HydrophobicContact CE1-CB 3.82Å; F67-I88 HydrophobicContact CE1-CG2 4.35Å; F67-I88 HydrophobicContact CZ-CD1 4.06Å; F67-I88 HydrophobicContact CZ-CG1 4.32Å; F67-I88 HydrophobicContact CZ-CG2 4.04Å; F67-V124 HydrophobicContact CB-CG1 3.89Å; F67-V124 HydrophobicContact CD2-CG1 4.37Å; F67-V124 HydrophobicContact CG-CG1 4.11Å; F67-C128 HydrophobicContact CD2-CB 4.32Å; F67-L145 HydrophobicContact CD2-CD1 4.24Å; F67-L145 HydrophobicContact CE2-CD1 4.01Å; F67-L145 HydrophobicContact CE2-CD2 4.08Å; F67-L145 HydrophobicContact CZ-CD2 4.29Å |
| 68 | R | 95.2 | Very high | 95 | Very high | 105 Ų | 105 | 38.9 Ų | 38.9 | 40% | 0.396 | 21% | 0.213 | S | C | . | . | trans | -119.3 | 93.6 | 179.5 | -168.9 | 177.6 | -64.6 | -177.9 | 2.8 | 111.6 | H22 D75 | H22-R68 PolarHBondContact CD2-NH2 2.95Å; R68-D75 WeakPolarHBondContact CB-OD1 3.21Å; R68-D75 IonicContact CZ-OD1 2.77Å; R68-D75 IonicContact NE-OD1 2.77Å; R68-D75 PolarHBondContact NE-OD1 2.84Å; R68-D75 IonicContact NH2-OD1 2.75Å; R68-D75 PolarHBondContact NH2-OD1 2.9Å; R68-D75 IonicContact NH2-OD2 3.15Å | ||
| 69 | P | 93.2 | Very high | 95.1 | Very high | 26 Ų | 26 | 37 Ų | 37 | 17% | 0.169 | 21% | 0.205 | C | C | . | . | trans | -61.8 | 149 | 172.6 | -23.3 | 35 | 0 | 0 | 0 | 112.4 | F67 G71 E72 L76 | F67-P69 HydrophobicContact CD2-CG 3.61Å; F67-P69 HydrophobicContact CE2-CG 3.45Å; F67-P69 VanDerWaalsContact CE2-CG 3.45Å; F67-P69 WeakPolarHBondContact O-CD 3.45Å; P69-G71 PolarHBondContact O-N 2.81Å; P69-G71 VanDerWaalsContact O-N 3.15Å; P69-E72 HydrophobicContact CB-CG 4.3Å; P69-E72 HydrophobicContact CG-CG 4.45Å; P69-E72 PolarHBondContact O-N 3.22Å; P69-E72 VanDerWaalsContact O-N 3.17Å; P69-L76 HydrophobicContact CG-CD1 4.21Å | ||
| 70 | K | 89.6 | Confident | 95.3 | Very high | 177 Ų | 177 | 37 Ų | 37 | 77% | 0.77 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 122.1 | 174.4 | -67.9 | 179.7 | -177.5 | 170.8 | 0 | 110.4 | R147 | K70-R147 PolarHBondContact O-NH2 2.87Å; K70-R147 VanDerWaalsContact O-NH2 3.08Å |
| 71 | G | 87.6 | Confident | 95.3 | Very high | 70 Ų | 70 | 35.8 Ų | 35.8 | 72% | 0.722 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | 9.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | P69 R147 | P69-G71 PolarHBondContact O-N 2.81Å; P69-G71 VanDerWaalsContact O-N 3.15Å; G71-R147 PolarHBondContact O-NH2 2.95Å |
| 72 | E | 92.6 | Very high | 95.2 | Very high | 43 Ų | 43 | 36.9 Ų | 36.9 | 20% | 0.201 | 21% | 0.209 | C | C | . | . | trans | -92.5 | 148.5 | 159.3 | -66.3 | -67.8 | 154.4 | 0 | 0 | 109.4 | P69 L76 R103 | P69-E72 HydrophobicContact CB-CG 4.3Å; P69-E72 HydrophobicContact CG-CG 4.45Å; P69-E72 PolarHBondContact O-N 3.22Å; P69-E72 VanDerWaalsContact O-N 3.17Å; E72-L76 HydrophobicContact CG-CD1 4.2Å; E72-R103 IonicContact OE1-CZ 3.67Å; E72-R103 IonicContact OE1-NH1 3.61Å; E72-R103 IonicContact OE1-NH2 3.91Å; E72-R103 PolarHBondContact OE1-NH2 3.01Å; E72-R103 IonicContact OE2-CZ 3.83Å; E72-R103 IonicContact OE2-NH1 2.92Å; E72-R103 PolarHBondContact OE2-NH1 2.91Å; E72-R103 IonicContact OE2-NH2 2.89Å | ||
| 73 | S | 92.4 | Very high | 95.1 | Very high | 89 Ų | 89 | 35.8 Ų | 35.8 | 62% | 0.622 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -81.7 | -26.2 | -176 | 56.9 | 0 | 0 | 0 | 0 | 113.8 | A26 | A26-S73 WeakPolarHBondContact CB-O 3.45Š|
| 74 | K | 95.1 | Very high | 95 | Very high | 30 Ų | 30 | 36.3 Ų | 36.3 | 13% | 0.13 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -143.8 | 172.4 | -175.4 | 66.2 | -171.3 | -170.6 | -128.7 | 0 | 109.6 | F23 E90 Y91 | F23-K74 WeakPolarHBondContact O-CD 3.31Å; K74-E90 IonicContact NZ-OE1 3.24Å; K74-Y91 WeakPolarHBondContact CE-O 3.21Å; K74-Y91 PolarHBondContact NZ-O 3.33Å |
| 75 | D | 96.9 | Very high | 95 | Very high | 14 Ų | 14 | 36.6 Ų | 36.6 | 8% | 0.075 | 20% | 0.199 | C | C | . | . | trans | -71.2 | 147.1 | -176.2 | -59.6 | -11.1 | 0 | 0 | 0 | 111.1 | H22 F23 L66 R68 | H22-D75 PolarHBondContact N-OD2 3.43Å; H22-D75 WeakPolarHBondContact O-CB 3.27Å; H22-D75 PolarHBondContact O-N 3.03Å; F23-D75 WeakPolarHBondContact CD2-O 3.08Å; L66-D75 HydrophobicContact CD2-CB 4.09Å; R68-D75 WeakPolarHBondContact CB-OD1 3.21Å; R68-D75 IonicContact CZ-OD1 2.77Å; R68-D75 IonicContact NE-OD1 2.77Å; R68-D75 PolarHBondContact NE-OD1 2.84Å; R68-D75 IonicContact NH2-OD1 2.75Å; R68-D75 PolarHBondContact NH2-OD1 2.9Å; R68-D75 IonicContact NH2-OD2 3.15Å | ||
| 76 | L | 96.9 | Very high | 95 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 5% | 0.047 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 151 | 169.3 | -62 | -179.8 | 0 | 0 | 0 | 109 | L66 F67 P69 E72 I88 E90 | L66-L76 WeakPolarHBondContact CA-O 3.32Å; L66-L76 WeakPolarHBondContact CD2-O 3.38Å; F67-L76 WeakPolarHBondContact CD1-O 3.43Å; F67-L76 HydrophobicContact CE1-CB 3.98Å; F67-L76 HydrophobicContact CZ-CB 3.99Å; F67-L76 HydrophobicContact CZ-CD1 4.43Å; F67-L76 PolarHBondContact N-O 3.29Å; F67-L76 PolarHBondContact O-N 2.78Å; P69-L76 HydrophobicContact CG-CD1 4.21Å; E72-L76 HydrophobicContact CG-CD1 4.2Å; L76-I88 HydrophobicContact CB-CG2 3.97Å; L76-I88 HydrophobicContact CD1-CG2 4.06Å; L76-E90 HydrophobicContact CD2-CB 3.87Å; L76-E90 HydrophobicContact CD2-CG 3.98Å |
| 77 | L | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 117.7 | -178.5 | 180 | 65 | 0 | 0 | 0 | 110 | F23 L32 L39 M64 L66 I79 I88 L89 | F23-L77 HydrophobicContact CD2-CB 4.14Å; F23-L77 HydrophobicContact CE2-CB 3.55Å; F23-L77 HydrophobicContact CZ-CB 3.98Å; F23-L77 HydrophobicContact CZ-CD2 4.23Å; L32-L77 HydrophobicContact CD2-CD1 3.77Å; L32-L77 HydrophobicContact CD2-CD2 3.65Å; L32-L77 HydrophobicContact CD2-CG 4.25Å; L39-L77 HydrophobicContact CD1-CD2 4.42Å; L39-L77 HydrophobicContact CD2-CD2 3.58Å; M64-L77 HydrophobicContact CG-CD1 3.74Å; L66-L77 HydrophobicContact CD2-CB 3.99Å; L66-L77 HydrophobicContact CD2-CD1 3.8Å; L66-L77 HydrophobicContact CG-CD1 4.13Å; L77-I79 HydrophobicContact CD2-CD1 3.87Å; L77-I79 HydrophobicContact CD2-CG1 4.25Å; L77-I79 HydrophobicContact CG-CD1 4.23Å; L77-I79 HydrophobicContact CG-CG1 4.05Å; L77-I88 CarbonylContact O-C 3.58Å; L77-I88 WeakPolarHBondContact O-CA 3.46Å; L77-L89 HydrophobicContact CB-CB 4.31Å; L77-L89 HydrophobicContact CD2-CD1 4.39Å; L77-L89 PolarHBondContact N-O 3.27Å; L77-L89 PolarHBondContact O-N 2.88Å |
| 78 | F | 97.9 | Very high | 95 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 128.6 | 169.3 | 176.3 | -110.6 | 0 | 0 | 0 | 109.7 | V63 M64 E65 F67 L80 A86 C87 I88 I131 L133 I143 | V63-F78 HydrophobicContact CG1-CD1 4.47Å; V63-F78 HydrophobicContact CG1-CE1 4.41Å; M64-F78 WeakPolarHBondContact CA-O 3.49Å; E65-F78 PolarHBondContact N-O 2.76Å; E65-F78 PolarHBondContact O-N 3.38Å; F67-F78 HydrophobicContact CD1-CB 4.25Å; F67-F78 HydrophobicContact CE1-CB 3.82Å; F78-L80 HydrophobicContact CE1-CB 4.16Å; F78-L80 HydrophobicContact CZ-CB 4.16Å; F78-A86 HydrophobicContact CE2-CB 4.08Å; F78-A86 HydrophobicContact CZ-CB 4.36Å; F78-C87 WeakPolarHBondContact CA-O 3.48Å; F78-C87 WeakPolarHBondContact CD2-O 3.4Å; F78-I88 HydrophobicContact CD2-CG1 4.15Å; F78-I131 HydrophobicContact CB-CD1 4.32Å; F78-I131 HydrophobicContact CD1-CD1 4.17Å; F78-I131 HydrophobicContact CD1-CG2 4.28Å; F78-I131 HydrophobicContact CD2-CD1 3.43Å; F78-I131 VanDerWaalsContact CD2-CD1 3.43Å; F78-I131 HydrophobicContact CE1-CD1 4.35Å; F78-I131 HydrophobicContact CE1-CG2 3.85Å; F78-I131 HydrophobicContact CE2-CD1 3.64Å; F78-I131 HydrophobicContact CG-CD1 3.71Å; F78-I131 HydrophobicContact CZ-CD1 4.11Å; F78-I131 HydrophobicContact CZ-CG2 4.01Å; F78-L133 HydrophobicContact CE1-CD2 4.08Å; F78-L133 HydrophobicContact CZ-CD2 4.15Å; F78-I143 HydrophobicContact CE2-CD1 4.47Å; F78-I143 HydrophobicContact CZ-CD1 4.46Å |
| 79 | I | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134 | 172.6 | -68.6 | 179.9 | 0 | 0 | 0 | 109.5 | L39 M57 I61 V63 L77 A86 C87 L89 | L39-I79 HydrophobicContact CD2-CD1 4.23Å; M57-I79 HydrophobicContact CE-CB 4.34Å; M57-I79 HydrophobicContact CE-CD1 4.1Å; M57-I79 HydrophobicContact CE-CG2 3.78Å; M57-I79 HydrophobicContact SD-CD1 3.45Å; M57-I79 WeakPolarHBondContact SD-CD1 3.36Å; M57-I79 HydrophobicContact SD-CG2 4.13Å; I61-I79 HydrophobicContact CG1-CG2 4.32Å; I61-I79 HydrophobicContact CG2-CG2 4.29Å; V63-I79 WeakPolarHBondContact O-CA 3.43Å; L77-I79 HydrophobicContact CD2-CD1 3.87Å; L77-I79 HydrophobicContact CD2-CG1 4.25Å; L77-I79 HydrophobicContact CG-CD1 4.23Å; L77-I79 HydrophobicContact CG-CG1 4.05Å; I79-A86 CarbonylContact O-C 3.52Å; I79-A86 WeakPolarHBondContact O-CA 3.42Å; I79-C87 PolarHBondContact N-O 3.04Å; I79-C87 PolarHBondContact O-N 3.02Å; I79-L89 HydrophobicContact CD1-CD1 3.85Å |
| 80 | L | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.9 | 166.4 | -179.7 | 62.1 | 0 | 0 | 0 | 109.1 | A62 V63 F78 N85 A86 V108 I120 L133 L135 | A62-L80 WeakPolarHBondContact CA-O 3.44Å; A62-L80 WeakPolarHBondContact CB-O 3.3Å; A62-L80 PolarHBondContact N-O 3.2Å; V63-L80 HydrophobicContact CB-CB 3.95Å; V63-L80 HydrophobicContact CG2-CB 4.17Å; V63-L80 HydrophobicContact CG2-CD2 4.19Å; V63-L80 PolarHBondContact N-O 3.34Å; V63-L80 VanDerWaalsContact N-O 3.08Å; V63-L80 PolarHBondContact O-N 3.35Å; F78-L80 HydrophobicContact CE1-CB 4.16Å; F78-L80 HydrophobicContact CZ-CB 4.16Å; L80-N85 WeakPolarHBondContact CA-O 3.41Å; L80-A86 HydrophobicContact CD1-CB 4.02Å; L80-V108 HydrophobicContact CD1-CG2 3.63Å; L80-I120 HydrophobicContact CD2-CG2 3.54Å; L80-I120 HydrophobicContact CG-CG2 4.49Å; L80-L133 HydrophobicContact CD2-CD1 4.17Å; L80-L133 HydrophobicContact CD2-CD2 3.85Å; L80-L135 HydrophobicContact CD2-CD2 3.79Å |
| 81 | T | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 162.7 | 175.8 | 75.2 | 0 | 0 | 0 | 0 | 112.3 | K60 K83 Y84 N85 I1068 | K60-T81 CarbonylContact O-C 3.58Å; K60-T81 WeakPolarHBondContact O-CA 3.39Å; K60-T81 WeakPolarHBondContact O-CB 3.41Å; T81-K83 PolarHBondContact O-N 3.29Å; T81-K83 PolarHBondContact OG1-N 2.72Å; T81-Y84 WeakPolarHBondContact O-CA 3.21Å; T81-Y84 PolarHBondContact O-N 2.83Å; T81-N85 HydrophobicContact CG2-CB 4.12Å; T81-N85 PolarHBondContact N-O 2.86Å; T81-N85 WeakPolarHBondContact OG1-CB 3.48Å; T81-N85 PolarHBondContact OG1-N 3.32Å; T81-I1068 HydrophobicContact CG2-CD1 3.91Å |
| 82 | S | 93.3 | Very high | 95.7 | Very high | 38 Ų | 38 | 19.6 Ų | 19.6 | 27% | 0.266 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -25.4 | 174.9 | 65.2 | 0 | 0 | 0 | 0 | 114 | K60 Y84 | K60-S82 PolarHBondContact O-N 2.87Å; S82-Y84 PolarHBondContact O-N 2.73Å |
| 83 | K | 93.3 | Very high | 95.6 | Very high | 20 Ų | 20 | 22.8 Ų | 22.8 | 9% | 0.087 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 21.7 | 170.2 | -73.9 | -172.2 | 168.9 | -178.9 | 0 | 112.6 | T81 N85 N107 T1073 W1074 S1076 | T81-K83 PolarHBondContact O-N 3.29Å; T81-K83 PolarHBondContact OG1-N 2.72Å; K83-N85 PolarHBondContact O-N 2.83Å; K83-N107 PolarHBondContact O-ND2 2.91Å; K83-N107 VanDerWaalsContact O-ND2 3.15Å; K83-T1073 WeakPolarHBondContact CD-O 3.46Å; K83-T1073 PolarHBondContact NZ-O 2.85Å; K83-W1074 PolarHBondContact NZ-O 2.85Å; K83-S1076 PolarHBondContact NZ-O 3.39Å |
| 84 | Y | 95.5 | Very high | 95.2 | Very high | 25 Ų | 25 | 24.1 Ų | 24.1 | 10% | 0.098 | 12% | 0.119 | C | C | . | . | trans | 61 | 24.3 | 174.9 | -46.1 | -79.3 | 0 | 0 | 0 | 115.1 | T81 S82 A86 N107 V108 Q109 I120 L135 | T81-Y84 WeakPolarHBondContact O-CA 3.21Å; T81-Y84 PolarHBondContact O-N 2.83Å; S82-Y84 PolarHBondContact O-N 2.73Å; Y84-A86 PolarHBondContact O-N 2.84Å; Y84-N107 WeakPolarHBondContact O-CA 3.49Å; Y84-V108 WeakPolarHBondContact O-CG2 3.38Å; Y84-V108 PolarHBondContact O-N 3.13Å; Y84-Q109 HydrophobicContact CD2-CB 3.81Å; Y84-Q109 HydrophobicContact CD2-CG 3.64Å; Y84-Q109 HydrophobicContact CE2-CG 4.1Å; Y84-Q109 HydrophobicContact CG-CB 4.01Å; Y84-Q109 HydrophobicContact CG-CG 4.27Å; Y84-I120 HydrophobicContact CD1-CD1 4.35Å; Y84-I120 HydrophobicContact CE1-CD1 4.06Å; Y84-I120 HydrophobicContact CE1-CG1 4.45Å; Y84-L135 HydrophobicContact CD1-CD1 3.94Å; Y84-L135 HydrophobicContact CD1-CD2 4.22Å; Y84-L135 HydrophobicContact CD1-CG 4.46Å; Y84-L135 HydrophobicContact CE1-CB 4.19Å; Y84-L135 HydrophobicContact CE1-CD1 4.41Å; Y84-L135 HydrophobicContact CE1-CD2 4.4Å | ||
| 85 | N | 95.6 | Very high | 94.5 | Very high | 16 Ų | 16 | 25.8 Ų | 25.8 | 9% | 0.086 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 114 | 171.8 | -61.5 | -47.6 | 0 | 0 | 0 | 108.7 | L80 T81 K83 N107 I1068 | L80-N85 WeakPolarHBondContact CA-O 3.41Å; T81-N85 HydrophobicContact CG2-CB 4.12Å; T81-N85 PolarHBondContact N-O 2.86Å; T81-N85 WeakPolarHBondContact OG1-CB 3.48Å; T81-N85 PolarHBondContact OG1-N 3.32Å; K83-N85 PolarHBondContact O-N 2.83Å; N85-N107 PolarHBondContact OD1-ND2 3.07Å; N85-I1068 HydrophobicContact CB-CD1 3.86Å; N85-I1068 HydrophobicContact CB-CG1 4.05Å |
| 86 | A | 96.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 139.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | F78 I79 L80 Y84 H105 G106 V108 L152 | F78-A86 HydrophobicContact CE2-CB 4.08Å; F78-A86 HydrophobicContact CZ-CB 4.36Å; I79-A86 CarbonylContact O-C 3.52Å; I79-A86 WeakPolarHBondContact O-CA 3.42Å; L80-A86 HydrophobicContact CD1-CB 4.02Å; Y84-A86 PolarHBondContact O-N 2.84Å; A86-H105 CarbonylContact O-C 3.58Å; A86-H105 VanDerWaalsContact O-CA 3.25Å; A86-H105 WeakPolarHBondContact O-CA 3.36Å; A86-G106 WeakPolarHBondContact CA-O 3.08Å; A86-G106 PolarHBondContact N-O 3.01Å; A86-G106 PolarHBondContact O-N 3.48Å; A86-G106 VanDerWaalsContact O-O 3.1Å; A86-V108 HydrophobicContact CB-CG1 3.89Å; A86-V108 HydrophobicContact CB-CG2 4.3Å; A86-L152 HydrophobicContact CB-CD1 3.79Å; A86-L152 WeakPolarHBondContact O-CD1 3.46Å |
| 87 | C | 96.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 155.3 | 172.2 | 66.3 | 0 | 0 | 0 | 0 | 112.6 | F78 I79 L89 T102 A104 H105 | F78-C87 WeakPolarHBondContact CA-O 3.48Å; F78-C87 WeakPolarHBondContact CD2-O 3.4Å; I79-C87 PolarHBondContact N-O 3.04Å; I79-C87 PolarHBondContact O-N 3.02Å; C87-L89 HydrophobicContact CB-CD2 4.41Å; C87-T102 HydrophobicContact CB-CG2 4.45Å; C87-A104 CarbonylContact C-O 3.23Å; C87-A104 VanDerWaalsContact CA-O 3.27Å; C87-A104 WeakPolarHBondContact CA-O 3.39Å; C87-H105 HydrophobicContact CB-CB 4.08Å |
| 88 | I | 97.2 | Very high | 92 | Very high | 15 Ų | 15 | 36.4 Ų | 36.4 | 8% | 0.077 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 124.2 | 170.8 | -60.1 | 170.9 | 0 | 0 | 0 | 107.5 | F67 L76 L77 F78 R103 A104 L145 L152 | F67-I88 HydrophobicContact CE1-CG2 4.35Å; F67-I88 HydrophobicContact CZ-CD1 4.06Å; F67-I88 HydrophobicContact CZ-CG1 4.32Å; F67-I88 HydrophobicContact CZ-CG2 4.04Å; L76-I88 HydrophobicContact CB-CG2 3.97Å; L76-I88 HydrophobicContact CD1-CG2 4.06Å; L77-I88 CarbonylContact O-C 3.58Å; L77-I88 WeakPolarHBondContact O-CA 3.46Å; F78-I88 HydrophobicContact CD2-CG1 4.15Å; I88-R103 HydrophobicContact CB-CB 4.45Å; I88-R103 HydrophobicContact CG2-CB 4.28Å; I88-R103 PolarHBondContact O-N 3.33Å; I88-A104 HydrophobicContact CB-CB 4.36Å; I88-A104 HydrophobicContact CD1-CB 4.26Å; I88-A104 PolarHBondContact N-O 3.02Å; I88-A104 PolarHBondContact O-N 2.78Å; I88-L145 HydrophobicContact CD1-CD2 4.1Å; I88-L152 HydrophobicContact CD1-CD2 3.84Å; I88-L152 HydrophobicContact CG1-CD2 4.34Å |
| 89 | L | 96.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 149.1 | -175.1 | -53.9 | 180 | 0 | 0 | 0 | 111.1 | M57 L77 I79 C87 I100 I101 T102 V1065 | M57-L89 HydrophobicContact CE-CD1 4.46Å; M57-L89 HydrophobicContact SD-CD1 4.48Å; L77-L89 HydrophobicContact CB-CB 4.31Å; L77-L89 HydrophobicContact CD2-CD1 4.39Å; L77-L89 PolarHBondContact N-O 3.27Å; L77-L89 PolarHBondContact O-N 2.88Å; I79-L89 HydrophobicContact CD1-CD1 3.85Å; C87-L89 HydrophobicContact CB-CD2 4.41Å; L89-I100 HydrophobicContact CB-CG2 3.89Å; L89-I100 HydrophobicContact CD1-CG2 3.98Å; L89-I100 HydrophobicContact CD2-CG2 4.42Å; L89-I100 HydrophobicContact CG-CG2 4.32Å; L89-I101 CarbonylContact C-O 3.56Å; L89-I101 WeakPolarHBondContact CA-O 3.28Å; L89-T102 HydrophobicContact CD2-CG2 4.48Å; L89-V1065 HydrophobicContact CD1-CG1 3.68Å; L89-V1065 HydrophobicContact CD2-CG1 4.08Å |
| 90 | E | 95.6 | Very high | 91.3 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 136.5 | 173.6 | -176.8 | -164.9 | 156.8 | 0 | 0 | 109.6 | K74 L76 K92 I101 R103 | K74-E90 IonicContact NZ-OE1 3.24Å; L76-E90 HydrophobicContact CD2-CB 3.87Å; L76-E90 HydrophobicContact CD2-CG 3.98Å; E90-K92 VanDerWaalsContact CD-CE 3.48Å; E90-K92 WeakPolarHBondContact OE1-CE 3.29Å; E90-K92 IonicContact OE1-NZ 3.03Å; E90-I101 HydrophobicContact CB-CD1 4.22Å; E90-I101 HydrophobicContact CB-CG1 3.75Å; E90-I101 HydrophobicContact CG-CG1 4.48Å; E90-I101 PolarHBondContact N-O 2.86Å; E90-I101 WeakPolarHBondContact O-CG1 3.31Å; E90-I101 PolarHBondContact O-N 3.4Å; E90-R103 HydrophobicContact CB-CG 3.9Å; E90-R103 WeakPolarHBondContact OE2-CD 3.48Å; E90-R103 IonicContact OE2-CZ 3.41Å; E90-R103 IonicContact OE2-NE 3.94Å; E90-R103 IonicContact OE2-NH1 2.88Å; E90-R103 PolarHBondContact OE2-NH1 3.44Å |
| 91 | Y | 95.7 | Very high | 91.1 | Very high | 7 Ų | 7 | 44.2 Ų | 44.2 | 3% | 0.027 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 129.1 | 171.6 | -177.3 | -91.3 | 0 | 0 | 0 | 111.4 | F23 T24 V52 K74 Q93 I98 I100 | F23-Y91 HydrophobicContact CE1-CD2 4.33Å; F23-Y91 HydrophobicContact CE1-CG 4.47Å; F23-Y91 WeakPolarHBondContact O-CB 3.17Å; T24-Y91 HydrophobicContact CG2-CD1 4.28Å; T24-Y91 HydrophobicContact CG2-CD2 4.16Å; T24-Y91 HydrophobicContact CG2-CE1 4.17Å; T24-Y91 HydrophobicContact CG2-CE2 4.04Å; T24-Y91 HydrophobicContact CG2-CG 4.29Å; V52-Y91 HydrophobicContact CG1-CE2 3.98Å; V52-Y91 WeakPolarHBondContact CG1-OH 3.37Å; K74-Y91 WeakPolarHBondContact CE-O 3.21Å; K74-Y91 PolarHBondContact NZ-O 3.33Å; Y91-Q93 HydrophobicContact CE1-CB 3.83Å; Y91-I98 HydrophobicContact CD2-CG2 4.25Å; Y91-I98 HydrophobicContact CE2-CG2 3.37Å; Y91-I100 HydrophobicContact CD2-CD1 3.65Å; Y91-I100 HydrophobicContact CE2-CD1 4.45Å; Y91-I100 HydrophobicContact CG-CD1 4.44Å |
| 92 | K | 92.9 | Very high | 91.1 | Very high | 87 Ų | 87 | 45.5 Ų | 45.5 | 38% | 0.378 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 133.6 | 169.7 | -70.8 | -164 | 176.7 | 176.1 | 0 | 111.5 | E90 D99 I101 | E90-K92 VanDerWaalsContact CD-CE 3.48Å; E90-K92 WeakPolarHBondContact OE1-CE 3.29Å; E90-K92 IonicContact OE1-NZ 3.03Å; K92-D99 PolarHBondContact N-O 3.35Å; K92-D99 PolarHBondContact O-N 2.95Å; K92-D99 VanDerWaalsContact O-O 3.09Å; K92-I101 HydrophobicContact CD-CD1 3.72Å; K92-I101 HydrophobicContact CD-CG1 4.35Å; K92-I101 VanDerWaalsContact CE-CD1 3.4Å; K92-I101 HydrophobicContact CG-CD1 4.2Å; K92-I101 HydrophobicContact CG-CG1 4.36Å |
| 93 | Q | 88.9 | Confident | 91.1 | Very high | 110 Ų | 110 | 48.3 Ų | 48.3 | 51% | 0.514 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.3 | 174.6 | -176.8 | 177.8 | 16.4 | 0 | 0 | 109.3 | Y91 G95 S97 I98 | Y91-Q93 HydrophobicContact CE1-CB 3.83Å; Q93-G95 WeakPolarHBondContact CG-O 3.3Å; Q93-G95 PolarHBondContact NE2-O 2.81Å; Q93-S97 WeakPolarHBondContact CA-O 3.41Å; Q93-I98 HydrophobicContact CB-CG1 4.4Å; Q93-I98 HydrophobicContact CG-CG1 3.94Å |
| 94 | N | 84.9 | Confident | 91.2 | Very high | 118 Ų | 118 | 47.7 Ų | 47.7 | 63% | 0.631 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 96.2 | 174.5 | -68.5 | -27.3 | 0 | 0 | 0 | 108.3 | E96 S97 | N94-E96 PolarHBondContact O-N 3.33Å; N94-S97 PolarHBondContact N-O 2.84Å; N94-S97 PolarHBondContact O-N 2.83Å; N94-S97 PolarHBondContact O-OG 2.85Å |
| 95 | G | 80.2 | Confident | 91.2 | Very high | 64 Ų | 64 | 49.7 Ų | 49.7 | 66% | 0.66 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | -123.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111 | Q93 | Q93-G95 WeakPolarHBondContact CG-O 3.3Å; Q93-G95 PolarHBondContact NE2-O 2.81Å |
| 96 | E | 72.8 | Confident | 91.1 | Very high | 168 Ų | 168 | 49.9 Ų | 49.9 | 79% | 0.785 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -17.3 | 178.2 | -63.4 | -178.1 | 169.9 | 0 | 0 | 113.3 | N94 | N94-E96 PolarHBondContact O-N 3.33Š|
| 97 | S | 77.9 | Confident | 91 | Very high | 63 Ų | 63 | 53.8 Ų | 53.8 | 44% | 0.441 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 122.6 | -179.3 | 70.3 | 0 | 0 | 0 | 0 | 111.7 | Q93 N94 | Q93-S97 WeakPolarHBondContact CA-O 3.41Å; N94-S97 PolarHBondContact N-O 2.84Å; N94-S97 PolarHBondContact O-N 2.83Å; N94-S97 PolarHBondContact O-OG 2.85Å |
| 98 | I | 87.6 | Confident | 90.9 | Very high | 16 Ų | 16 | 54 Ų | 54 | 8% | 0.082 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 119 | 176.1 | -61.5 | 167.3 | 0 | 0 | 0 | 109.3 | V52 K53 Y91 Q93 | V52-I98 HydrophobicContact CG1-CD1 4.28Å; K53-I98 HydrophobicContact CB-CG2 4.16Å; K53-I98 HydrophobicContact CD-CB 4.29Å; K53-I98 HydrophobicContact CD-CG2 4.03Å; K53-I98 HydrophobicContact CG-CG2 3.98Å; Y91-I98 HydrophobicContact CD2-CG2 4.25Å; Y91-I98 HydrophobicContact CE2-CG2 3.37Å; Q93-I98 HydrophobicContact CB-CG1 4.4Å; Q93-I98 HydrophobicContact CG-CG1 3.94Å |
| 99 | D | 88.4 | Confident | 90.8 | Very high | 90 Ų | 90 | 57.4 Ų | 57.4 | 48% | 0.481 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 137 | 178.8 | -75.6 | -36.3 | 0 | 0 | 0 | 111.3 | K92 I101 | K92-D99 PolarHBondContact N-O 3.35Å; K92-D99 PolarHBondContact O-N 2.95Å; K92-D99 VanDerWaalsContact O-O 3.09Å; D99-I101 HydrophobicContact CB-CG2 4.41Å |
| 100 | I | 93.3 | Very high | 90.5 | Very high | 23 Ų | 23 | 59 Ų | 59 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 113.3 | 168.3 | -54.8 | -57.2 | 0 | 0 | 0 | 108.1 | F23 I41 V55 L89 Y91 V1065 | F23-I100 HydrophobicContact CE1-CD1 4.16Å; I41-I100 HydrophobicContact CD1-CD1 3.84Å; V55-I100 HydrophobicContact CG1-CG1 3.97Å; V55-I100 HydrophobicContact CG2-CG1 4.45Å; L89-I100 HydrophobicContact CB-CG2 3.89Å; L89-I100 HydrophobicContact CD1-CG2 3.98Å; L89-I100 HydrophobicContact CD2-CG2 4.42Å; L89-I100 HydrophobicContact CG-CG2 4.32Å; Y91-I100 HydrophobicContact CD2-CD1 3.65Å; Y91-I100 HydrophobicContact CE2-CD1 4.45Å; Y91-I100 HydrophobicContact CG-CD1 4.44Å; I100-V1065 HydrophobicContact CG2-CG1 4.36Å |
| 101 | I | 93.7 | Very high | 90 | Very high | 51 Ų | 51 | 70.3 Ų | 70.3 | 26% | 0.262 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 139.4 | -174.7 | 66.9 | 160.2 | 0 | 0 | 0 | 111.7 | L89 E90 K92 D99 R103 | L89-I101 CarbonylContact C-O 3.56Å; L89-I101 WeakPolarHBondContact CA-O 3.28Å; E90-I101 HydrophobicContact CB-CD1 4.22Å; E90-I101 HydrophobicContact CB-CG1 3.75Å; E90-I101 HydrophobicContact CG-CG1 4.48Å; E90-I101 PolarHBondContact N-O 2.86Å; E90-I101 WeakPolarHBondContact O-CG1 3.31Å; E90-I101 PolarHBondContact O-N 3.4Å; K92-I101 HydrophobicContact CD-CD1 3.72Å; K92-I101 HydrophobicContact CD-CG1 4.35Å; K92-I101 VanDerWaalsContact CE-CD1 3.4Å; K92-I101 HydrophobicContact CG-CD1 4.2Å; K92-I101 HydrophobicContact CG-CG1 4.36Å; D99-I101 HydrophobicContact CB-CG2 4.41Å; I101-R103 PolarHBondContact O-N 2.86Å |
| 102 | T | 95.5 | Very high | 89.5 | Confident | 28 Ų | 28 | 77 Ų | 77 | 17% | 0.172 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 110.6 | 173.5 | -49.9 | 0 | 0 | 0 | 0 | 110.3 | C87 L89 A104 H105 G1066 K1067 | C87-T102 HydrophobicContact CB-CG2 4.45Å; L89-T102 HydrophobicContact CD2-CG2 4.48Å; T102-A104 WeakPolarHBondContact CG2-O 3.39Å; T102-H105 HydrophobicContact CG2-CB 3.83Å; T102-G1066 WeakPolarHBondContact OG1-CA 3.41Å; T102-G1066 PolarHBondContact OG1-N 2.83Å; T102-G1066 VanDerWaalsContact OG1-N 3.08Å; T102-K1067 HydrophobicContact CG2-CD 4.39Å; T102-K1067 HydrophobicContact CG2-CG 4.19Å |
| 103 | R | 93.9 | Very high | 89 | Confident | 96 Ų | 96 | 75 Ų | 75 | 36% | 0.362 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -44.2 | 175.7 | -72.6 | -74 | -72.9 | -108 | -5 | 111.8 | E72 I88 E90 I101 | E72-R103 IonicContact OE1-CZ 3.67Å; E72-R103 IonicContact OE1-NH1 3.61Å; E72-R103 IonicContact OE1-NH2 3.91Å; E72-R103 PolarHBondContact OE1-NH2 3.01Å; E72-R103 IonicContact OE2-CZ 3.83Å; E72-R103 IonicContact OE2-NH1 2.92Å; E72-R103 PolarHBondContact OE2-NH1 2.91Å; E72-R103 IonicContact OE2-NH2 2.89Å; I88-R103 HydrophobicContact CB-CB 4.45Å; I88-R103 HydrophobicContact CG2-CB 4.28Å; I88-R103 PolarHBondContact O-N 3.33Å; E90-R103 HydrophobicContact CB-CG 3.9Å; E90-R103 WeakPolarHBondContact OE2-CD 3.48Å; E90-R103 IonicContact OE2-CZ 3.41Å; E90-R103 IonicContact OE2-NE 3.94Å; E90-R103 IonicContact OE2-NH1 2.88Å; E90-R103 PolarHBondContact OE2-NH1 3.44Å; I101-R103 PolarHBondContact O-N 2.86Å |
| 104 | A | 94.8 | Very high | 89 | Confident | 8 Ų | 8 | 77.3 Ų | 77.3 | 7% | 0.066 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 151.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | C87 I88 T102 R150 L152 | C87-A104 CarbonylContact C-O 3.23Å; C87-A104 VanDerWaalsContact CA-O 3.27Å; C87-A104 WeakPolarHBondContact CA-O 3.39Å; I88-A104 HydrophobicContact CB-CB 4.36Å; I88-A104 HydrophobicContact CD1-CB 4.26Å; I88-A104 PolarHBondContact N-O 3.02Å; I88-A104 PolarHBondContact O-N 2.78Å; T102-A104 WeakPolarHBondContact CG2-O 3.39Å; A104-R150 WeakPolarHBondContact CA-O 3.37Å; A104-L152 HydrophobicContact CB-CD1 4.36Å; A104-L152 HydrophobicContact CB-CD2 3.66Å; A104-L152 HydrophobicContact CB-CG 3.85Å |
| 105 | H | 96.1 | Very high | 89.3 | Confident | 67 Ų | 67 | 74.7 Ų | 74.7 | 31% | 0.31 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 153.4 | 176.5 | 69.8 | -44.2 | 0 | 0 | 0 | 110.9 | A86 C87 T102 R150 E151 G1066 K1067 | A86-H105 CarbonylContact O-C 3.58Å; A86-H105 VanDerWaalsContact O-CA 3.25Å; A86-H105 WeakPolarHBondContact O-CA 3.36Å; C87-H105 HydrophobicContact CB-CB 4.08Å; T102-H105 HydrophobicContact CG2-CB 3.83Å; H105-R150 PolarHBondContact N-O 3.36Å; H105-E151 CarbonylContact O-C 3.52Å; H105-E151 VanDerWaalsContact O-C 3.3Å; H105-E151 WeakPolarHBondContact O-CA 3.4Å; H105-G1066 WeakPolarHBondContact CB-O 3.22Å; H105-K1067 VanDerWaalsContact CD2-CB 3.42Å; H105-K1067 WeakPolarHBondContact CD2-CB 3.33Å |
| 106 | G | 93.9 | Very high | 89.8 | Confident | 20 Ų | 20 | 72.1 Ų | 72.1 | 21% | 0.206 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.5 | 160.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | A86 | A86-G106 WeakPolarHBondContact CA-O 3.08Å; A86-G106 PolarHBondContact N-O 3.01Å; A86-G106 PolarHBondContact O-N 3.48Å; A86-G106 VanDerWaalsContact O-O 3.1Å |
| 107 | N | 94.6 | Very high | 90.3 | Very high | 82 Ų | 82 | 70.5 Ų | 70.5 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 126.1 | 172.3 | -171.7 | -61.6 | 0 | 0 | 0 | 109.3 | K83 Y84 N85 Q109 | K83-N107 PolarHBondContact O-ND2 2.91Å; K83-N107 VanDerWaalsContact O-ND2 3.15Å; Y84-N107 WeakPolarHBondContact O-CA 3.49Å; N85-N107 PolarHBondContact OD1-ND2 3.07Å; N107-Q109 WeakPolarHBondContact OD1-CB 3.42Å; N107-Q109 PolarHBondContact OD1-N 3.28Å |
| 108 | V | 95 | Very high | 90.6 | Very high | 7 Ų | 7 | 70.8 Ų | 70.8 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | trans | -102.5 | 10.5 | -175.3 | -63.8 | 0 | 0 | 0 | 0 | 113.3 | L80 Y84 A86 L133 L135 K141 I143 | L80-V108 HydrophobicContact CD1-CG2 3.63Å; Y84-V108 WeakPolarHBondContact O-CG2 3.38Å; Y84-V108 PolarHBondContact O-N 3.13Å; A86-V108 HydrophobicContact CB-CG1 3.89Å; A86-V108 HydrophobicContact CB-CG2 4.3Å; V108-L133 HydrophobicContact CB-CD1 4.44Å; V108-L133 HydrophobicContact CG2-CD1 3.92Å; V108-L135 HydrophobicContact CG2-CD1 3.96Å; V108-K141 HydrophobicContact CB-CD 3.92Å; V108-K141 WeakPolarHBondContact O-CE 2.95Å; V108-K141 PolarHBondContact O-NZ 2.78Å; V108-I143 HydrophobicContact CG1-CD1 4.11Å | ||
| 109 | Q | 93.6 | Very high | 90.8 | Very high | 86 Ų | 86 | 71.6 Ų | 71.6 | 40% | 0.402 | 37% | 0.365 | S | S | . | . | trans | -61.7 | 136.2 | 176.5 | -169.6 | 178.9 | -15.1 | 0 | 0 | 111.2 | Y84 N107 Y136 | Y84-Q109 HydrophobicContact CD2-CB 3.81Å; Y84-Q109 HydrophobicContact CD2-CG 3.64Å; Y84-Q109 HydrophobicContact CE2-CG 4.1Å; Y84-Q109 HydrophobicContact CG-CB 4.01Å; Y84-Q109 HydrophobicContact CG-CG 4.27Å; N107-Q109 WeakPolarHBondContact OD1-CB 3.42Å; N107-Q109 PolarHBondContact OD1-N 3.28Å; Q109-Y136 VanDerWaalsContact CG-OH 3.3Å; Q109-Y136 WeakPolarHBondContact CG-OH 3.11Å | ||
| 110 | D | 91.1 | Very high | 91.1 | Very high | 33 Ų | 33 | 69.3 Ų | 69.3 | 18% | 0.176 | 35% | 0.352 | C | S | . | . | trans | -91 | 140.5 | 166 | -67.7 | -43.7 | 0 | 0 | 0 | 109.7 | I112 Y136 K141 N156 | D110-I112 WeakPolarHBondContact CB-O 3.41Å; D110-I112 PolarHBondContact O-N 2.91Å; D110-Y136 HydrophobicContact CB-CD2 4.14Å; D110-Y136 HydrophobicContact CB-CE2 3.59Å; D110-Y136 PolarHBondContact N-OH 2.85Å; D110-Y136 PolarHBondContact O-OH 2.83Å; D110-K141 IonicContact OD1-NZ 3.81Å; D110-K141 PolarHBondContact OD1-NZ 2.82Å; D110-K141 VanDerWaalsContact OD2-CE 3.28Å; D110-K141 WeakPolarHBondContact OD2-CE 3.47Å; D110-K141 IonicContact OD2-NZ 3.56Å; D110-K141 PolarHBondContact OD2-NZ 2.96Å; D110-N156 VanDerWaalsContact CG-ND2 3.32Å; D110-N156 PolarHBondContact OD1-ND2 2.96Å; D110-N156 PolarHBondContact OD2-ND2 3.33Å | ||
| 111 | R | 85.3 | Confident | 91.3 | Very high | 253 Ų | 253 | 69.4 Ų | 69.4 | 96% | 0.955 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -63.6 | -22.8 | 178.1 | -67.1 | -174.9 | -179.9 | -176.4 | -1 | 112.9 | ||
| 112 | I | 85.8 | Confident | 91.4 | Very high | 148 Ų | 148 | 67.3 Ų | 67.3 | 76% | 0.759 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -134.3 | 135.7 | 179.2 | 53 | 167.3 | 0 | 0 | 0 | 108.2 | D110 | D110-I112 WeakPolarHBondContact CB-O 3.41Å; D110-I112 PolarHBondContact O-N 2.91Å |
| 113 | G | 82.4 | Confident | 91.4 | Very high | 43 Ų | 43 | 66.4 Ų | 66.4 | 44% | 0.443 | 34% | 0.338 | S | S | . | . | trans | 159.5 | 137.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110 | P115 Y136 | G113-P115 WeakPolarHBondContact O-CD 3.4Å; G113-Y136 VanDerWaalsContact C-CD1 3.48Å | ||
| 114 | R | 88 | Confident | 91.6 | Very high | 160 Ų | 160 | 63.1 Ų | 63.1 | 60% | 0.604 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 119 | 170.8 | -177 | 179.2 | 178.5 | -162.1 | -11 | 107.4 | S116 E117 Y136 D137 | R114-S116 PolarHBondContact O-N 3.5Å; R114-E117 IonicContact CZ-OE1 2.9Å; R114-E117 IonicContact NH2-OE1 2.75Å; R114-E117 PolarHBondContact NH2-OE1 2.73Å; R114-Y136 VanDerWaalsContact O-CA 3.24Å; R114-Y136 WeakPolarHBondContact O-CA 3.32Å; R114-Y136 WeakPolarHBondContact O-CB 3.25Å; R114-D137 PolarHBondContact O-N 3.11Å; R114-D137 VanDerWaalsContact O-N 3.09Å |
| 115 | P | 91 | Very high | 91.6 | Very high | 62 Ų | 62 | 62.8 Ų | 62.8 | 40% | 0.403 | 33% | 0.326 | S | S | . | . | B | Isolated β-bridge | trans | -55.8 | 137.8 | 174.4 | -24.1 | 34.4 | 0 | 0 | 0 | 110.2 | G113 | G113-P115 WeakPolarHBondContact O-CD 3.4Å |
| 116 | S | 90.9 | Very high | 91.5 | Very high | 11 Ų | 11 | 62 Ų | 62 | 8% | 0.077 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 144.7 | -178.2 | -69.4 | 0 | 0 | 0 | 0 | 112.8 | R114 T118 G119 R134 L135 Y136 D137 | R114-S116 PolarHBondContact O-N 3.5Å; S116-T118 VanDerWaalsContact C-N 3.35Å; S116-T118 PolarHBondContact O-N 2.95Å; S116-G119 PolarHBondContact O-N 3.04Å; S116-G119 VanDerWaalsContact O-N 3.09Å; S116-R134 VanDerWaalsContact CB-CZ 3.4Å; S116-R134 WeakPolarHBondContact OG-CD 3.35Å; S116-R134 PolarHBondContact OG-NH1 2.86Å; S116-L135 PolarHBondContact N-O 3.16Å; S116-Y136 VanDerWaalsContact OG-C 3.27Å; S116-D137 VanDerWaalsContact CA-OD1 3.22Å; S116-D137 WeakPolarHBondContact CA-OD1 3.49Å; S116-D137 WeakPolarHBondContact CB-OD1 3.44Å; S116-D137 PolarHBondContact OG-N 2.92Å; S116-D137 PolarHBondContact OG-OD1 2.99Å |
| 117 | E | 83.4 | Confident | 91.5 | Very high | 134 Ų | 134 | 65.2 Ų | 65.2 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -36 | -178 | -69.7 | 175.1 | -177.6 | 0 | 0 | 112.7 | R114 G119 | R114-E117 IonicContact CZ-OE1 2.9Å; R114-E117 IonicContact NH2-OE1 2.75Å; R114-E117 PolarHBondContact NH2-OE1 2.73Å; E117-G119 PolarHBondContact O-N 2.83Å |
| 118 | T | 85.1 | Confident | 91.5 | Very high | 68 Ų | 68 | 62.2 Ų | 62.2 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 12.3 | 176 | 51.6 | 0 | 0 | 0 | 0 | 113.5 | S116 R134 V164 I165 | S116-T118 VanDerWaalsContact C-N 3.35Å; S116-T118 PolarHBondContact O-N 2.95Å; T118-R134 PolarHBondContact O-NH2 2.9Å; T118-R134 VanDerWaalsContact OG1-CZ 3.22Å; T118-R134 PolarHBondContact OG1-NH1 2.83Å; T118-R134 PolarHBondContact OG1-NH2 2.85Å; T118-V164 PolarHBondContact OG1-O 2.81Å; T118-I165 HydrophobicContact CG2-CD1 4.37Å; T118-I165 PolarHBondContact OG1-O 2.68Å |
| 119 | G | 91 | Very high | 91.4 | Very high | 33 Ų | 33 | 64.5 Ų | 64.5 | 34% | 0.34 | 33% | 0.329 | S | S | . | . | trans | 78.3 | -164.4 | 174 | 0 | 0 | 0 | 0 | 0 | 115.2 | S116 E117 R134 | S116-G119 PolarHBondContact O-N 3.04Å; S116-G119 VanDerWaalsContact O-N 3.09Å; E117-G119 PolarHBondContact O-N 2.83Å; G119-R134 PolarHBondContact O-NE 2.79Å; G119-R134 PolarHBondContact O-NH2 2.83Å | ||
| 120 | I | 95.4 | Very high | 91.5 | Very high | 43 Ų | 43 | 60.4 Ų | 60.4 | 22% | 0.221 | 31% | 0.31 | C | S | . | . | trans | -84.6 | 125.3 | -178 | -65.1 | 172.2 | 0 | 0 | 0 | 109 | A62 V63 L80 Y84 L135 | A62-I120 HydrophobicContact CB-CB 4.38Å; A62-I120 HydrophobicContact CB-CD1 3.9Å; A62-I120 HydrophobicContact CB-CG2 4.4Å; V63-I120 HydrophobicContact CG2-CG2 3.65Å; L80-I120 HydrophobicContact CD2-CG2 3.54Å; L80-I120 HydrophobicContact CG-CG2 4.49Å; Y84-I120 HydrophobicContact CD1-CD1 4.35Å; Y84-I120 HydrophobicContact CE1-CD1 4.06Å; Y84-I120 HydrophobicContact CE1-CG1 4.45Å; I120-L135 HydrophobicContact CG1-CD2 4.36Å; I120-L135 HydrophobicContact CG2-CD2 3.75Å | ||
| 121 | I | 95.9 | Very high | 91.8 | Very high | 24 Ų | 24 | 58.8 Ų | 58.8 | 12% | 0.123 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.9 | 169.6 | -59.8 | 169.9 | 0 | 0 | 0 | 108 | I123 L133 R134 | I121-I123 HydrophobicContact CG2-CG2 4.06Å; I121-L133 WeakPolarHBondContact O-CA 3.24Å; I121-R134 HydrophobicContact CB-CB 4.21Å; I121-R134 VanDerWaalsContact CD1-NH2 3.26Å; I121-R134 PolarHBondContact N-O 2.8Å; I121-R134 VanDerWaalsContact N-O 3.1Å; I121-R134 PolarHBondContact O-N 2.75Å |
| 122 | G | 95.7 | Very high | 92.4 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 7% | 0.072 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 128.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | G132 | G122-G132 WeakPolarHBondContact CA-O 3.35Å |
| 123 | I | 96.8 | Very high | 92.9 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 146.3 | -173.5 | 51.3 | 170.5 | 0 | 0 | 0 | 110.5 | I121 I131 G132 F140 V167 F169 | I121-I123 HydrophobicContact CG2-CG2 4.06Å; I123-I131 CarbonylContact O-C 3.6Å; I123-I131 WeakPolarHBondContact O-CA 3.32Å; I123-I131 WeakPolarHBondContact O-CG2 3.36Å; I123-G132 WeakPolarHBondContact CG1-O 3.47Å; I123-G132 PolarHBondContact N-O 2.97Å; I123-G132 PolarHBondContact O-N 2.98Å; I123-F140 HydrophobicContact CD1-CZ 4.43Å; I123-V167 HydrophobicContact CD1-CB 4.23Å; I123-V167 HydrophobicContact CD1-CG1 3.63Å; I123-V167 VanDerWaalsContact CG2-O 3.28Å; I123-V167 WeakPolarHBondContact CG2-O 3.41Å; I123-F169 HydrophobicContact CB-CD2 4.14Å; I123-F169 HydrophobicContact CD1-CD2 3.61Å; I123-F169 HydrophobicContact CD1-CE2 3.8Å; I123-F169 HydrophobicContact CD1-CG 4.32Å; I123-F169 HydrophobicContact CG1-CD2 3.78Å; I123-F169 HydrophobicContact CG1-CE2 3.79Å |
| 124 | V | 96.9 | Very high | 93.6 | Very high | 27 Ų | 27 | 38 Ų | 38 | 16% | 0.164 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 134.2 | 177.9 | -171.7 | 0 | 0 | 0 | 0 | 109.2 | E65 F67 I131 L145 | E65-V124 HydrophobicContact CB-CG2 4.06Å; F67-V124 HydrophobicContact CB-CG1 3.89Å; F67-V124 HydrophobicContact CD2-CG1 4.37Å; F67-V124 HydrophobicContact CG-CG1 4.11Å; V124-I131 HydrophobicContact CG2-CG1 4.26Å; V124-L145 HydrophobicContact CG1-CD1 4.24Å |
| 125 | D | 96.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | trans | -63.4 | 136 | 174 | 165.1 | 70.2 | 0 | 0 | 0 | 110.2 | E127 C128 R129 M130 F169 | D125-E127 PolarHBondContact O-N 3.02Å; D125-E127 VanDerWaalsContact O-N 3.13Å; D125-E127 PolarHBondContact OD2-N 3.01Å; D125-C128 VanDerWaalsContact O-CA 3.29Å; D125-C128 WeakPolarHBondContact O-CA 3.2Å; D125-C128 PolarHBondContact O-N 3.04Å; D125-R129 IonicContact OD1-CZ 3Å; D125-R129 IonicContact OD1-NE 3.68Å; D125-R129 IonicContact OD1-NH2 3.66Å; D125-R129 PolarHBondContact OD1-NH2 2.92Å; D125-R129 WeakPolarHBondContact OD2-CB 3.48Å; D125-R129 WeakPolarHBondContact OD2-CG 3.25Å; D125-R129 IonicContact OD2-CZ 2.84Å; D125-R129 PolarHBondContact OD2-N 2.73Å; D125-R129 VanDerWaalsContact OD2-N 3.16Å; D125-R129 IonicContact OD2-NE 2.95Å; D125-R129 PolarHBondContact OD2-NE 3.06Å; D125-R129 IonicContact OD2-NH2 3.11Å; D125-R129 PolarHBondContact OD2-NH2 3.44Å; D125-M130 HydrophobicContact CB-CG 4.25Å; D125-M130 PolarHBondContact N-O 3.19Å; D125-M130 VanDerWaalsContact N-O 3.16Å; D125-F169 HydrophobicContact CB-CD1 4.16Å; D125-F169 HydrophobicContact CB-CD2 4.08Å; D125-F169 HydrophobicContact CB-CE1 4.34Å; D125-F169 HydrophobicContact CB-CE2 4.26Å; D125-F169 HydrophobicContact CB-CG 4.04Å; D125-F169 HydrophobicContact CB-CZ 4.41Å | ||
| 126 | P | 93.6 | Very high | 94.1 | Very high | 49 Ų | 49 | 28 Ų | 28 | 32% | 0.318 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -30.1 | -177.9 | -30.9 | 37 | 0 | 0 | 0 | 115.1 | C128 Y171 | P126-C128 PolarHBondContact O-N 3Å; P126-Y171 HydrophobicContact CB-CD1 3.49Å; P126-Y171 VanDerWaalsContact CB-CD1 3.49Å; P126-Y171 HydrophobicContact CB-CE1 3.57Å; P126-Y171 HydrophobicContact CB-CG 4.28Å; P126-Y171 HydrophobicContact CG-CD1 3.53Å; P126-Y171 HydrophobicContact CG-CD2 4.26Å; P126-Y171 HydrophobicContact CG-CE1 3.59Å; P126-Y171 HydrophobicContact CG-CE2 4.29Å; P126-Y171 HydrophobicContact CG-CG 3.88Å |
| 127 | E | 93.1 | Very high | 94.2 | Very high | 89 Ų | 89 | 29.4 Ų | 29.4 | 42% | 0.416 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 4.7 | 174.4 | -61.2 | -169.2 | 172.5 | 0 | 0 | 113.3 | D125 R129 | D125-E127 PolarHBondContact O-N 3.02Å; D125-E127 VanDerWaalsContact O-N 3.13Å; D125-E127 PolarHBondContact OD2-N 3.01Å; E127-R129 VanDerWaalsContact C-N 3.3Å; E127-R129 HydrophobicContact CB-CG 3.99Å; E127-R129 PolarHBondContact O-N 3.44Å; E127-R129 IonicContact OE1-NH1 3.22Å; E127-R129 WeakPolarHBondContact OE2-CD 3.48Å; E127-R129 IonicContact OE2-CZ 2.95Å; E127-R129 IonicContact OE2-NE 3.98Å; E127-R129 PolarHBondContact OE2-NE 2.95Å; E127-R129 IonicContact OE2-NH1 2.64Å; E127-R129 PolarHBondContact OE2-NH1 2.97Å; E127-R129 IonicContact OE2-NH2 2.65Å |
| 128 | C | 94.8 | Very high | 94.6 | Very high | 18 Ų | 18 | 23.5 Ų | 23.5 | 12% | 0.122 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 56.8 | 37.5 | -178.8 | -60.8 | 0 | 0 | 0 | 0 | 113.2 | F67 D125 P126 L145 | F67-C128 HydrophobicContact CD2-CB 4.32Å; D125-C128 VanDerWaalsContact O-CA 3.29Å; D125-C128 WeakPolarHBondContact O-CA 3.2Å; D125-C128 PolarHBondContact O-N 3.04Å; P126-C128 PolarHBondContact O-N 3Å; C128-L145 HydrophobicContact CB-CD1 4.43Å; C128-L145 WeakPolarHBondContact O-CD1 3.42Å |
| 129 | R | 93.7 | Very high | 95.1 | Very high | 55 Ų | 55 | 22.7 Ų | 22.7 | 21% | 0.208 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -82.4 | -33.8 | 179.9 | -64 | 170.8 | -70.8 | -164.4 | 5.2 | 112.7 | D125 E127 L145 C173 Q174 P176 | D125-R129 IonicContact OD1-CZ 3Å; D125-R129 IonicContact OD1-NE 3.68Å; D125-R129 IonicContact OD1-NH2 3.66Å; D125-R129 PolarHBondContact OD1-NH2 2.92Å; D125-R129 WeakPolarHBondContact OD2-CB 3.48Å; D125-R129 WeakPolarHBondContact OD2-CG 3.25Å; D125-R129 IonicContact OD2-CZ 2.84Å; D125-R129 PolarHBondContact OD2-N 2.73Å; D125-R129 VanDerWaalsContact OD2-N 3.16Å; D125-R129 IonicContact OD2-NE 2.95Å; D125-R129 PolarHBondContact OD2-NE 3.06Å; D125-R129 IonicContact OD2-NH2 3.11Å; D125-R129 PolarHBondContact OD2-NH2 3.44Å; E127-R129 VanDerWaalsContact C-N 3.3Å; E127-R129 HydrophobicContact CB-CG 3.99Å; E127-R129 PolarHBondContact O-N 3.44Å; E127-R129 IonicContact OE1-NH1 3.22Å; E127-R129 WeakPolarHBondContact OE2-CD 3.48Å; E127-R129 IonicContact OE2-CZ 2.95Å; E127-R129 IonicContact OE2-NE 3.98Å; E127-R129 PolarHBondContact OE2-NE 2.95Å; E127-R129 IonicContact OE2-NH1 2.64Å; E127-R129 PolarHBondContact OE2-NH1 2.97Å; E127-R129 IonicContact OE2-NH2 2.65Å; R129-L145 PolarHBondContact O-N 3Å; R129-L145 VanDerWaalsContact O-N 3.16Å; R129-C173 PolarHBondContact NH2-O 3.01Å; R129-Q174 PolarHBondContact NH1-O 3.39Å; R129-P176 VanDerWaalsContact NH2-CA 3.35Å |
| 130 | M | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 164.4 | -178.2 | 63.9 | 170.5 | 79.9 | 0 | 0 | 111.9 | D125 V142 I143 F169 P176 V195 L197 | D125-M130 HydrophobicContact CB-CG 4.25Å; D125-M130 PolarHBondContact N-O 3.19Å; D125-M130 VanDerWaalsContact N-O 3.16Å; M130-V142 HydrophobicContact CB-CG1 3.99Å; M130-V142 HydrophobicContact CE-CG1 4.15Å; M130-V142 HydrophobicContact CG-CG1 4.31Å; M130-V142 HydrophobicContact SD-CG1 3.43Å; M130-V142 WeakPolarHBondContact SD-CG1 3.33Å; M130-V142 HydrophobicContact SD-CG2 4.38Å; M130-I143 CarbonylContact C-O 3.55Å; M130-I143 VanDerWaalsContact CA-O 3.3Å; M130-I143 WeakPolarHBondContact CA-O 3.5Å; M130-I143 WeakPolarHBondContact CB-O 3.46Å; M130-F169 HydrophobicContact CG-CE1 4.4Å; M130-F169 HydrophobicContact CG-CE2 4.5Å; M130-F169 HydrophobicContact CG-CZ 3.85Å; M130-F169 HydrophobicContact SD-CE1 4.13Å; M130-F169 HydrophobicContact SD-CZ 3.73Å; M130-P176 HydrophobicContact CE-CB 3.79Å; M130-P176 HydrophobicContact CE-CG 3.65Å; M130-P176 HydrophobicContact SD-CB 4.29Å; M130-V195 HydrophobicContact CE-CB 3.77Å; M130-V195 HydrophobicContact CE-CG1 3.57Å; M130-V195 HydrophobicContact SD-CB 4.07Å; M130-V195 HydrophobicContact SD-CG1 3.74Å; M130-L197 HydrophobicContact CB-CD2 4.35Å; M130-L197 HydrophobicContact CE-CD1 3.97Å; M130-L197 HydrophobicContact CE-CD2 3.34Å; M130-L197 HydrophobicContact CE-CG 3.39Å; M130-L197 HydrophobicContact SD-CD2 4.34Å |
| 131 | I | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 129.3 | 165.1 | -52.5 | 179.1 | 0 | 0 | 0 | 107.8 | F78 I123 V124 L133 V142 I143 L145 | F78-I131 HydrophobicContact CB-CD1 4.32Å; F78-I131 HydrophobicContact CD1-CD1 4.17Å; F78-I131 HydrophobicContact CD1-CG2 4.28Å; F78-I131 HydrophobicContact CD2-CD1 3.43Å; F78-I131 VanDerWaalsContact CD2-CD1 3.43Å; F78-I131 HydrophobicContact CE1-CD1 4.35Å; F78-I131 HydrophobicContact CE1-CG2 3.85Å; F78-I131 HydrophobicContact CE2-CD1 3.64Å; F78-I131 HydrophobicContact CG-CD1 3.71Å; F78-I131 HydrophobicContact CZ-CD1 4.11Å; F78-I131 HydrophobicContact CZ-CG2 4.01Å; I123-I131 CarbonylContact O-C 3.6Å; I123-I131 WeakPolarHBondContact O-CA 3.32Å; I123-I131 WeakPolarHBondContact O-CG2 3.36Å; V124-I131 HydrophobicContact CG2-CG1 4.26Å; I131-L133 HydrophobicContact CG2-CD2 4.02Å; I131-L133 HydrophobicContact CG2-CG 4.32Å; I131-V142 WeakPolarHBondContact O-CA 3.49Å; I131-I143 HydrophobicContact CB-CB 4.19Å; I131-I143 PolarHBondContact N-O 3.27Å; I131-I143 PolarHBondContact O-N 2.88Å; I131-L145 HydrophobicContact CD1-CD2 3.87Å; I131-L145 HydrophobicContact CG1-CD1 3.95Å; I131-L145 HydrophobicContact CG1-CD2 3.87Å; I131-L145 HydrophobicContact CG1-CG 3.99Å |
| 132 | G | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 133.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | G122 I123 K141 | G122-G132 WeakPolarHBondContact CA-O 3.35Å; I123-G132 WeakPolarHBondContact CG1-O 3.47Å; I123-G132 PolarHBondContact N-O 2.97Å; I123-G132 PolarHBondContact O-N 2.98Å; G132-K141 CarbonylContact C-O 3.56Å |
| 133 | L | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 125.4 | -179.9 | -62.7 | -178.8 | 0 | 0 | 0 | 109.9 | F78 L80 V108 I121 I131 L135 K141 I143 | F78-L133 HydrophobicContact CE1-CD2 4.08Å; F78-L133 HydrophobicContact CZ-CD2 4.15Å; L80-L133 HydrophobicContact CD2-CD1 4.17Å; L80-L133 HydrophobicContact CD2-CD2 3.85Å; V108-L133 HydrophobicContact CB-CD1 4.44Å; V108-L133 HydrophobicContact CG2-CD1 3.92Å; I121-L133 WeakPolarHBondContact O-CA 3.24Å; I131-L133 HydrophobicContact CG2-CD2 4.02Å; I131-L133 HydrophobicContact CG2-CG 4.32Å; L133-L135 HydrophobicContact CB-CD2 4.09Å; L133-L135 HydrophobicContact CB-CG 4.1Å; L133-K141 HydrophobicContact CB-CB 4.16Å; L133-K141 HydrophobicContact CD1-CD 4.48Å; L133-K141 PolarHBondContact N-O 2.88Å; L133-K141 PolarHBondContact O-N 2.79Å; L133-I143 HydrophobicContact CD1-CD1 3.71Å; L133-I143 HydrophobicContact CD1-CG1 4.35Å; L133-I143 HydrophobicContact CG-CD1 4.42Å |
| 134 | R | 96.2 | Very high | 95.5 | Very high | 8 Ų | 8 | 18.9 Ų | 18.9 | 3% | 0.03 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 101.9 | 167.7 | -167.7 | -67.6 | -55.6 | -105.3 | -8.2 | 107.8 | S116 T118 G119 I121 V164 | S116-R134 VanDerWaalsContact CB-CZ 3.4Å; S116-R134 WeakPolarHBondContact OG-CD 3.35Å; S116-R134 PolarHBondContact OG-NH1 2.86Å; T118-R134 PolarHBondContact O-NH2 2.9Å; T118-R134 VanDerWaalsContact OG1-CZ 3.22Å; T118-R134 PolarHBondContact OG1-NH1 2.83Å; T118-R134 PolarHBondContact OG1-NH2 2.85Å; G119-R134 PolarHBondContact O-NE 2.79Å; G119-R134 PolarHBondContact O-NH2 2.83Å; I121-R134 HydrophobicContact CB-CB 4.21Å; I121-R134 VanDerWaalsContact CD1-NH2 3.26Å; I121-R134 PolarHBondContact N-O 2.8Å; I121-R134 VanDerWaalsContact N-O 3.1Å; I121-R134 PolarHBondContact O-N 2.75Å; R134-V164 PolarHBondContact NH1-O 3.26Å |
| 135 | L | 94.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 19.3 Ų | 19.3 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -39.2 | -177.4 | -51.7 | -177.7 | 0 | 0 | 0 | 112.4 | L80 Y84 V108 S116 I120 L133 K141 | L80-L135 HydrophobicContact CD2-CD2 3.79Å; Y84-L135 HydrophobicContact CD1-CD1 3.94Å; Y84-L135 HydrophobicContact CD1-CD2 4.22Å; Y84-L135 HydrophobicContact CD1-CG 4.46Å; Y84-L135 HydrophobicContact CE1-CB 4.19Å; Y84-L135 HydrophobicContact CE1-CD1 4.41Å; Y84-L135 HydrophobicContact CE1-CD2 4.4Å; V108-L135 HydrophobicContact CG2-CD1 3.96Å; S116-L135 PolarHBondContact N-O 3.16Å; I120-L135 HydrophobicContact CG1-CD2 4.36Å; I120-L135 HydrophobicContact CG2-CD2 3.75Å; L133-L135 HydrophobicContact CB-CD2 4.09Å; L133-L135 HydrophobicContact CB-CG 4.1Å; L135-K141 HydrophobicContact CD1-CD 3.9Å |
| 136 | Y | 94.5 | Very high | 95 | Very high | 8 Ų | 8 | 24.6 Ų | 24.6 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 152.4 | -173.7 | -53.6 | -75.2 | 0 | 0 | 0 | 110.4 | Q109 D110 G113 R114 S116 G138 L139 | Q109-Y136 VanDerWaalsContact CG-OH 3.3Å; Q109-Y136 WeakPolarHBondContact CG-OH 3.11Å; D110-Y136 HydrophobicContact CB-CD2 4.14Å; D110-Y136 HydrophobicContact CB-CE2 3.59Å; D110-Y136 PolarHBondContact N-OH 2.85Å; D110-Y136 PolarHBondContact O-OH 2.83Å; G113-Y136 VanDerWaalsContact C-CD1 3.48Å; R114-Y136 VanDerWaalsContact O-CA 3.24Å; R114-Y136 WeakPolarHBondContact O-CA 3.32Å; R114-Y136 WeakPolarHBondContact O-CB 3.25Å; S116-Y136 VanDerWaalsContact OG-C 3.27Å; Y136-G138 PolarHBondContact O-N 2.86Å; Y136-L139 PolarHBondContact O-N 3.47Å |
| 137 | D | 92.8 | Very high | 94.4 | Very high | 39 Ų | 39 | 30.6 Ų | 30.6 | 21% | 0.209 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 135.4 | 179.8 | -66.3 | -22.6 | 0 | 0 | 0 | 111.9 | R114 S116 L139 | R114-D137 PolarHBondContact O-N 3.11Å; R114-D137 VanDerWaalsContact O-N 3.09Å; S116-D137 VanDerWaalsContact CA-OD1 3.22Å; S116-D137 WeakPolarHBondContact CA-OD1 3.49Å; S116-D137 WeakPolarHBondContact CB-OD1 3.44Å; S116-D137 PolarHBondContact OG-N 2.92Å; S116-D137 PolarHBondContact OG-OD1 2.99Å; D137-L139 PolarHBondContact O-N 3.01Å |
| 138 | G | 92.3 | Very high | 94.1 | Very high | 11 Ų | 11 | 33.6 Ų | 33.6 | 11% | 0.113 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y136 L159 | Y136-G138 PolarHBondContact O-N 2.86Å; G138-L159 WeakPolarHBondContact CA-O 3.44Å; G138-L159 PolarHBondContact O-N 3.43Å |
| 139 | L | 95.1 | Very high | 94 | Very high | 51 Ų | 51 | 34.1 Ų | 34.1 | 27% | 0.267 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 126.4 | 178 | -63.8 | 176.4 | 0 | 0 | 0 | 111.1 | Y136 D137 N156 | Y136-L139 PolarHBondContact O-N 3.47Å; D137-L139 PolarHBondContact O-N 3.01Å; L139-N156 HydrophobicContact CD2-CB 4.41Å |
| 140 | F | 96.6 | Very high | 93.9 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 1% | 0.013 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 113.1 | 169.4 | -173 | -107.6 | 0 | 0 | 0 | 109.6 | I123 V142 I157 L159 V167 F169 V178 F202 | I123-F140 HydrophobicContact CD1-CZ 4.43Å; F140-V142 HydrophobicContact CD1-CG2 3.65Å; F140-V142 HydrophobicContact CE1-CG2 3.67Å; F140-I157 PolarHBondContact N-O 2.67Å; F140-I157 PolarHBondContact O-N 2.94Å; F140-L159 HydrophobicContact CB-CD1 3.96Å; F140-V167 HydrophobicContact CE2-CG1 4.23Å; F140-F169 HydrophobicContact CZ-CZ 4.32Å; F140-V178 HydrophobicContact CE1-CG1 4.18Å; F140-V178 HydrophobicContact CZ-CG1 3.84Å; F140-F202 HydrophobicContact CB-CE2 4.1Å; F140-F202 HydrophobicContact CB-CZ 3.62Å; F140-F202 AromaticContact CD1-CE1 3.89Å; F140-F202 HydrophobicContact CD1-CE1 3.89Å; F140-F202 AromaticContact CD1-CZ 3.51Å; F140-F202 HydrophobicContact CD1-CZ 3.51Å; F140-F202 HydrophobicContact CE1-CE1 4.37Å; F140-F202 HydrophobicContact CE1-CZ 4.37Å; F140-F202 AromaticContact CG-CZ 3.76Å; F140-F202 HydrophobicContact CG-CZ 3.76Å |
| 141 | K | 97.1 | Very high | 93.7 | Very high | 11 Ų | 11 | 46 Ų | 46 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 132 | -175.8 | -178.5 | 178.5 | -60.8 | -82.4 | 0 | 109.8 | V108 D110 G132 L133 L135 A154 N156 | V108-K141 HydrophobicContact CB-CD 3.92Å; V108-K141 WeakPolarHBondContact O-CE 2.95Å; V108-K141 PolarHBondContact O-NZ 2.78Å; D110-K141 IonicContact OD1-NZ 3.81Å; D110-K141 PolarHBondContact OD1-NZ 2.82Å; D110-K141 VanDerWaalsContact OD2-CE 3.28Å; D110-K141 WeakPolarHBondContact OD2-CE 3.47Å; D110-K141 IonicContact OD2-NZ 3.56Å; D110-K141 PolarHBondContact OD2-NZ 2.96Å; G132-K141 CarbonylContact C-O 3.56Å; L133-K141 HydrophobicContact CB-CB 4.16Å; L133-K141 HydrophobicContact CD1-CD 4.48Å; L133-K141 PolarHBondContact N-O 2.88Å; L133-K141 PolarHBondContact O-N 2.79Å; L135-K141 HydrophobicContact CD1-CD 3.9Å; K141-A154 HydrophobicContact CD-CB 3.94Å; K141-A154 HydrophobicContact CG-CB 3.67Å; K141-N156 WeakPolarHBondContact CB-OD1 3.46Å; K141-N156 WeakPolarHBondContact CE-OD1 3.37Å; K141-N156 VanDerWaalsContact CG-OD1 3.25Å; K141-N156 WeakPolarHBondContact CG-OD1 3.43Å; K141-N156 PolarHBondContact NZ-OD1 3.44Å |
| 142 | V | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 125.7 | -175.5 | 178.9 | 0 | 0 | 0 | 0 | 109.9 | M130 I131 F140 A154 F155 I157 V195 L197 | M130-V142 HydrophobicContact CB-CG1 3.99Å; M130-V142 HydrophobicContact CE-CG1 4.15Å; M130-V142 HydrophobicContact CG-CG1 4.31Å; M130-V142 HydrophobicContact SD-CG1 3.43Å; M130-V142 WeakPolarHBondContact SD-CG1 3.33Å; M130-V142 HydrophobicContact SD-CG2 4.38Å; I131-V142 WeakPolarHBondContact O-CA 3.49Å; F140-V142 HydrophobicContact CD1-CG2 3.65Å; F140-V142 HydrophobicContact CE1-CG2 3.67Å; V142-A154 VanDerWaalsContact O-CA 3.27Å; V142-A154 WeakPolarHBondContact O-CA 3.49Å; V142-A154 WeakPolarHBondContact O-CB 3.45Å; V142-F155 HydrophobicContact CB-CE1 4.09Å; V142-F155 HydrophobicContact CB-CE2 4.09Å; V142-F155 HydrophobicContact CB-CZ 3.82Å; V142-F155 HydrophobicContact CG1-CE1 4.02Å; V142-F155 HydrophobicContact CG1-CZ 3.85Å; V142-F155 HydrophobicContact CG2-CE2 4.48Å; V142-F155 PolarHBondContact N-O 3.07Å; V142-F155 PolarHBondContact O-N 3.41Å; V142-I157 HydrophobicContact CG2-CD1 3.85Å; V142-I157 HydrophobicContact CG2-CG1 4.28Å; V142-V195 HydrophobicContact CG2-CG1 4.1Å; V142-L197 HydrophobicContact CG1-CD2 3.86Å |
| 143 | I | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 113.2 | 172.3 | -53.4 | 172.3 | 0 | 0 | 0 | 108.3 | F78 V108 M130 I131 L133 L152 A154 | F78-I143 HydrophobicContact CE2-CD1 4.47Å; F78-I143 HydrophobicContact CZ-CD1 4.46Å; V108-I143 HydrophobicContact CG1-CD1 4.11Å; M130-I143 CarbonylContact C-O 3.55Å; M130-I143 VanDerWaalsContact CA-O 3.3Å; M130-I143 WeakPolarHBondContact CA-O 3.5Å; M130-I143 WeakPolarHBondContact CB-O 3.46Å; I131-I143 HydrophobicContact CB-CB 4.19Å; I131-I143 PolarHBondContact N-O 3.27Å; I131-I143 PolarHBondContact O-N 2.88Å; L133-I143 HydrophobicContact CD1-CD1 3.71Å; L133-I143 HydrophobicContact CD1-CG1 4.35Å; L133-I143 HydrophobicContact CG-CD1 4.42Å; I143-L152 HydrophobicContact CG2-CB 4.44Å; I143-L152 HydrophobicContact CG2-CD2 4.16Å; I143-A154 HydrophobicContact CG1-CB 3.79Å |
| 144 | P | 95.8 | Very high | 93.2 | Very high | 22 Ų | 22 | 54.6 Ų | 54.6 | 14% | 0.143 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 132.3 | 171.8 | -19.9 | 32.9 | 0 | 0 | 0 | 111.4 | D146 N149 K153 F155 L197 | P144-D146 PolarHBondContact O-N 2.8Å; P144-N149 PolarHBondContact O-ND2 3.11Å; P144-N149 VanDerWaalsContact O-ND2 3.09Å; P144-K153 WeakPolarHBondContact CD-O 3.5Å; P144-F155 HydrophobicContact CG-CD1 4.41Å; P144-F155 HydrophobicContact CG-CE1 4.02Å; P144-L197 HydrophobicContact CG-CD2 4.37Å |
| 145 | L | 93.1 | Very high | 93.1 | Very high | 36 Ų | 36 | 55.7 Ų | 55.7 | 19% | 0.188 | 27% | 0.266 | C | S | . | . | trans | -89 | 46.8 | 178.1 | -73.4 | 174.9 | 0 | 0 | 0 | 112.4 | F67 I88 V124 C128 R129 I131 | F67-L145 HydrophobicContact CD2-CD1 4.24Å; F67-L145 HydrophobicContact CE2-CD1 4.01Å; F67-L145 HydrophobicContact CE2-CD2 4.08Å; F67-L145 HydrophobicContact CZ-CD2 4.29Å; I88-L145 HydrophobicContact CD1-CD2 4.1Å; V124-L145 HydrophobicContact CG1-CD1 4.24Å; C128-L145 HydrophobicContact CB-CD1 4.43Å; C128-L145 WeakPolarHBondContact O-CD1 3.42Å; R129-L145 PolarHBondContact O-N 3Å; R129-L145 VanDerWaalsContact O-N 3.16Å; I131-L145 HydrophobicContact CD1-CD2 3.87Å; I131-L145 HydrophobicContact CG1-CD1 3.95Å; I131-L145 HydrophobicContact CG1-CD2 3.87Å; I131-L145 HydrophobicContact CG1-CG 3.99Å | ||
| 146 | D | 89.1 | Confident | 93.2 | Very high | 113 Ų | 113 | 58.2 Ų | 58.2 | 60% | 0.604 | 28% | 0.28 | S | S | * | . | trans | -76.3 | 139.1 | 171 | -63.9 | -43.3 | 0 | 0 | 0 | 110.3 | P144 D148 N149 | P144-D146 PolarHBondContact O-N 2.8Å; D146-D148 PolarHBondContact O-N 2.88Å; D146-N149 WeakPolarHBondContact O-CB 3.46Å; D146-N149 PolarHBondContact O-N 3.03Å | ||
| 147 | R | 81.9 | Confident | 93.3 | Very high | 174 Ų | 174 | 58.1 Ų | 58.1 | 66% | 0.657 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -23.4 | -178.8 | -70.2 | -173.3 | 176.2 | -159.7 | -4.9 | 113.8 | K70 G71 | K70-R147 PolarHBondContact O-NH2 2.87Å; K70-R147 VanDerWaalsContact O-NH2 3.08Å; G71-R147 PolarHBondContact O-NH2 2.95Å |
| 148 | D | 87.3 | Confident | 93.4 | Very high | 153 Ų | 153 | 66.2 Ų | 66.2 | 82% | 0.818 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -12 | -179.8 | -63.6 | -32 | 0 | 0 | 0 | 113.2 | D146 R150 | D146-D148 PolarHBondContact O-N 2.88Å; D148-R150 PolarHBondContact O-N 2.87Å |
| 149 | N | 91.7 | Very high | 93.5 | Very high | 29 Ų | 29 | 66.1 Ų | 66.1 | 16% | 0.155 | 31% | 0.305 | C | S | . | . | trans | -80.2 | 61.1 | -175.2 | -165.9 | 12.2 | 0 | 0 | 0 | 113.2 | P144 D146 E151 L152 K153 | P144-N149 PolarHBondContact O-ND2 3.11Å; P144-N149 VanDerWaalsContact O-ND2 3.09Å; D146-N149 WeakPolarHBondContact O-CB 3.46Å; D146-N149 PolarHBondContact O-N 3.03Å; N149-E151 VanDerWaalsContact C-N 3.27Å; N149-E151 PolarHBondContact O-N 2.79Å; N149-L152 PolarHBondContact O-N 2.83Å; N149-L152 PolarHBondContact OD1-N 3.33Å; N149-K153 PolarHBondContact ND2-O 3.21Å; N149-K153 VanDerWaalsContact ND2-O 3.16Å; N149-K153 PolarHBondContact OD1-N 3.31Å | ||
| 150 | R | 91.2 | Very high | 93.4 | Very high | 184 Ų | 184 | 71.1 Ų | 71.1 | 69% | 0.694 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -22.5 | -178.7 | -64.4 | -173.9 | -178.4 | -172.5 | 0 | 114.4 | A104 H105 D148 L152 | A104-R150 WeakPolarHBondContact CA-O 3.37Å; H105-R150 PolarHBondContact N-O 3.36Å; D148-R150 PolarHBondContact O-N 2.87Å; R150-L152 VanDerWaalsContact C-N 3.33Å |
| 151 | E | 91.7 | Very high | 93.2 | Very high | 119 Ų | 119 | 71.8 Ų | 71.8 | 56% | 0.556 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 0.2 | 178.5 | -67.3 | 176.7 | -174.6 | 0 | 0 | 112.6 | H105 N149 K153 | H105-E151 CarbonylContact O-C 3.52Å; H105-E151 VanDerWaalsContact O-C 3.3Å; H105-E151 WeakPolarHBondContact O-CA 3.4Å; N149-E151 VanDerWaalsContact C-N 3.27Å; N149-E151 PolarHBondContact O-N 2.79Å; E151-K153 VanDerWaalsContact C-N 3.25Å; E151-K153 HydrophobicContact CB-CG 4.25Å; E151-K153 PolarHBondContact O-N 2.89Å; E151-K153 WeakPolarHBondContact OE2-CE 3.46Å; E151-K153 IonicContact OE2-NZ 3.66Å; E151-K153 PolarHBondContact OE2-NZ 3.33Å |
| 152 | L | 93.7 | Very high | 92.9 | Very high | 6 Ų | 6 | 76.4 Ų | 76.4 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | trans | 48.1 | 45.9 | -176.8 | -61.9 | -179 | 0 | 0 | 0 | 113.1 | A86 I88 A104 I143 N149 R150 A154 | A86-L152 HydrophobicContact CB-CD1 3.79Å; A86-L152 WeakPolarHBondContact O-CD1 3.46Å; I88-L152 HydrophobicContact CD1-CD2 3.84Å; I88-L152 HydrophobicContact CG1-CD2 4.34Å; A104-L152 HydrophobicContact CB-CD1 4.36Å; A104-L152 HydrophobicContact CB-CD2 3.66Å; A104-L152 HydrophobicContact CB-CG 3.85Å; I143-L152 HydrophobicContact CG2-CB 4.44Å; I143-L152 HydrophobicContact CG2-CD2 4.16Å; N149-L152 PolarHBondContact O-N 2.83Å; N149-L152 PolarHBondContact OD1-N 3.33Å; R150-L152 VanDerWaalsContact C-N 3.33Å; L152-A154 PolarHBondContact O-N 2.81Å | ||
| 153 | K | 93 | Very high | 92.7 | Very high | 138 Ų | 138 | 80.5 Ų | 80.5 | 60% | 0.6 | 37% | 0.373 | S | S | * | . | trans | -63.3 | 128.4 | 175.4 | -71.1 | -176.2 | 175.9 | 150.7 | 0 | 109.4 | P144 N149 E151 | P144-K153 WeakPolarHBondContact CD-O 3.5Å; N149-K153 PolarHBondContact ND2-O 3.21Å; N149-K153 VanDerWaalsContact ND2-O 3.16Å; N149-K153 PolarHBondContact OD1-N 3.31Å; E151-K153 VanDerWaalsContact C-N 3.25Å; E151-K153 HydrophobicContact CB-CG 4.25Å; E151-K153 PolarHBondContact O-N 2.89Å; E151-K153 WeakPolarHBondContact OE2-CE 3.46Å; E151-K153 IonicContact OE2-NZ 3.66Å; E151-K153 PolarHBondContact OE2-NZ 3.33Å | ||
| 154 | A | 94.9 | Very high | 92.6 | Very high | 38 Ų | 38 | 80.8 Ų | 80.8 | 31% | 0.314 | 38% | 0.375 | S | S | . | . | trans | -115.2 | 164.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | K141 V142 I143 L152 | K141-A154 HydrophobicContact CD-CB 3.94Å; K141-A154 HydrophobicContact CG-CB 3.67Å; V142-A154 VanDerWaalsContact O-CA 3.27Å; V142-A154 WeakPolarHBondContact O-CA 3.49Å; V142-A154 WeakPolarHBondContact O-CB 3.45Å; I143-A154 HydrophobicContact CG1-CB 3.79Å; L152-A154 PolarHBondContact O-N 2.81Å | ||
| 155 | F | 95.3 | Very high | 92.6 | Very high | 30 Ų | 30 | 81.2 Ų | 81.2 | 13% | 0.132 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 154.9 | 165.1 | 64.6 | -88.9 | 0 | 0 | 0 | 109.9 | V142 P144 I157 L197 K200 | V142-F155 HydrophobicContact CB-CE1 4.09Å; V142-F155 HydrophobicContact CB-CE2 4.09Å; V142-F155 HydrophobicContact CB-CZ 3.82Å; V142-F155 HydrophobicContact CG1-CE1 4.02Å; V142-F155 HydrophobicContact CG1-CZ 3.85Å; V142-F155 HydrophobicContact CG2-CE2 4.48Å; V142-F155 PolarHBondContact N-O 3.07Å; V142-F155 PolarHBondContact O-N 3.41Å; P144-F155 HydrophobicContact CG-CD1 4.41Å; P144-F155 HydrophobicContact CG-CE1 4.02Å; F155-I157 HydrophobicContact CD2-CG1 4.06Å; F155-I157 HydrophobicContact CE2-CD1 3.86Å; F155-I157 HydrophobicContact CE2-CG1 3.68Å; F155-L197 HydrophobicContact CE1-CD2 4.15Å; F155-L197 HydrophobicContact CZ-CD2 4.09Å; F155-K200 HydrophobicContact CB-CD 4.44Å; F155-K200 HydrophobicContact CD1-CD 4.28Å; F155-K200 HydrophobicContact CD1-CG 4.44Å; F155-K200 HydrophobicContact CD2-CB 3.72Å; F155-K200 HydrophobicContact CD2-CD 4.04Å; F155-K200 HydrophobicContact CD2-CG 3.94Å; F155-K200 HydrophobicContact CE1-CG 4.28Å; F155-K200 HydrophobicContact CE2-CB 3.54Å; F155-K200 HydrophobicContact CE2-CD 4.36Å; F155-K200 HydrophobicContact CE2-CG 3.76Å; F155-K200 HydrophobicContact CG-CB 4.49Å; F155-K200 HydrophobicContact CG-CD 3.99Å; F155-K200 HydrophobicContact CG-CG 4.28Å; F155-K200 HydrophobicContact CZ-CB 4.18Å; F155-K200 HydrophobicContact CZ-CG 3.94Å |
| 156 | N | 95.8 | Very high | 92.7 | Very high | 57 Ų | 57 | 80.5 Ų | 80.5 | 31% | 0.305 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 139.1 | 179.6 | -65.6 | -14.4 | 0 | 0 | 0 | 110.2 | D110 L139 K141 | D110-N156 VanDerWaalsContact CG-ND2 3.32Å; D110-N156 PolarHBondContact OD1-ND2 2.96Å; D110-N156 PolarHBondContact OD2-ND2 3.33Å; L139-N156 HydrophobicContact CD2-CB 4.41Å; K141-N156 WeakPolarHBondContact CB-OD1 3.46Å; K141-N156 WeakPolarHBondContact CE-OD1 3.37Å; K141-N156 VanDerWaalsContact CG-OD1 3.25Å; K141-N156 WeakPolarHBondContact CG-OD1 3.43Å; K141-N156 PolarHBondContact NZ-OD1 3.44Å |
| 157 | I | 96.2 | Very high | 93.1 | Very high | 6 Ų | 6 | 75.2 Ų | 75.2 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 135.2 | 168.2 | -49.9 | -179.2 | 0 | 0 | 0 | 107.4 | F140 V142 F155 L159 V195 F202 | F140-I157 PolarHBondContact N-O 2.67Å; F140-I157 PolarHBondContact O-N 2.94Å; V142-I157 HydrophobicContact CG2-CD1 3.85Å; V142-I157 HydrophobicContact CG2-CG1 4.28Å; F155-I157 HydrophobicContact CD2-CG1 4.06Å; F155-I157 HydrophobicContact CE2-CD1 3.86Å; F155-I157 HydrophobicContact CE2-CG1 3.68Å; I157-L159 PolarHBondContact O-N 3.18Å; I157-V195 HydrophobicContact CD1-CG1 3.66Å; I157-F202 HydrophobicContact CB-CD2 4.25Å; I157-F202 HydrophobicContact CB-CE2 3.91Å; I157-F202 HydrophobicContact CB-CZ 4.2Å; I157-F202 HydrophobicContact CD1-CD1 4.41Å; I157-F202 HydrophobicContact CD1-CE1 4.26Å; I157-F202 HydrophobicContact CD1-CZ 4.48Å; I157-F202 HydrophobicContact CG2-CB 4.49Å; I157-F202 HydrophobicContact CG2-CD1 4.36Å; I157-F202 HydrophobicContact CG2-CD2 3.3Å; I157-F202 HydrophobicContact CG2-CE1 4.5Å; I157-F202 HydrophobicContact CG2-CE2 3.46Å; I157-F202 VanDerWaalsContact CG2-CE2 3.46Å; I157-F202 HydrophobicContact CG2-CG 3.79Å; I157-F202 HydrophobicContact CG2-CZ 4.1Å |
| 158 | R | 94.9 | Very high | 93.8 | Very high | 210 Ų | 210 | 68.9 Ų | 68.9 | 79% | 0.792 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 128.6 | 176.9 | -172.3 | 174.7 | -176.8 | 168.5 | 0.2 | 109.5 | ||
| 159 | L | 93.9 | Very high | 94.3 | Very high | 9 Ų | 9 | 61.9 Ų | 61.9 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | trans | -106.8 | 123.9 | 175.5 | -150.9 | 150.3 | 0 | 0 | 0 | 107.5 | G138 F140 I157 E161 V164 F180 F202 | G138-L159 WeakPolarHBondContact CA-O 3.44Å; G138-L159 PolarHBondContact O-N 3.43Å; F140-L159 HydrophobicContact CB-CD1 3.96Å; I157-L159 PolarHBondContact O-N 3.18Å; L159-E161 VanDerWaalsContact C-N 3.35Å; L159-E161 HydrophobicContact CD2-CB 3.6Å; L159-E161 WeakPolarHBondContact CD2-O 3.47Å; L159-E161 WeakPolarHBondContact CD2-OE2 3.35Å; L159-V164 HydrophobicContact CD2-CG2 3.88Å; L159-F180 HydrophobicContact CD2-CE2 4.21Å; L159-F180 HydrophobicContact CD2-CZ 4.33Å; L159-F202 HydrophobicContact CB-CE2 4.31Å; L159-F202 HydrophobicContact CD1-CE2 4.14Å; L159-F202 HydrophobicContact CD1-CZ 4.23Å; L159-F202 HydrophobicContact CG-CE2 4.13Å | ||
| 160 | E | 92.8 | Very high | 94.5 | Very high | 155 Ų | 155 | 60.8 Ų | 60.8 | 72% | 0.724 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -72.2 | -34.5 | -176.3 | -67.3 | -170.2 | 160.9 | 0 | 0 | 111.5 | ||
| 161 | E | 93.5 | Very high | 94.6 | Very high | 18 Ų | 18 | 55.3 Ų | 55.3 | 8% | 0.084 | 26% | 0.258 | C | S | . | . | trans | -76.7 | 115.4 | 175 | -58.1 | 76.2 | -169.7 | 0 | 0 | 111 | L159 F180 Y182 K191 Y193 | L159-E161 VanDerWaalsContact C-N 3.35Å; L159-E161 HydrophobicContact CD2-CB 3.6Å; L159-E161 WeakPolarHBondContact CD2-O 3.47Å; L159-E161 WeakPolarHBondContact CD2-OE2 3.35Å; E161-F180 HydrophobicContact CB-CE2 4.22Å; E161-F180 HydrophobicContact CG-CE2 4.28Å; E161-Y182 HydrophobicContact CB-CD1 4.28Å; E161-Y182 HydrophobicContact CB-CD2 3.81Å; E161-Y182 HydrophobicContact CB-CE2 4.37Å; E161-Y182 HydrophobicContact CB-CG 3.76Å; E161-Y182 HydrophobicContact CG-CD1 3.85Å; E161-Y182 HydrophobicContact CG-CD2 3.67Å; E161-Y182 HydrophobicContact CG-CE1 3.89Å; E161-Y182 HydrophobicContact CG-CE2 3.74Å; E161-Y182 HydrophobicContact CG-CG 3.73Å; E161-K191 IonicContact OE1-NZ 2.67Å; E161-K191 PolarHBondContact OE1-NZ 3.24Å; E161-Y193 PolarHBondContact OE1-OH 3.16Å; E161-Y193 VanDerWaalsContact OE1-OH 3.12Å; E161-Y193 PolarHBondContact OE2-OH 3.36Å; E161-Y193 VanDerWaalsContact OE2-OH 3.12Å | ||
| 162 | L | 91 | Very high | 94.4 | Very high | 107 Ų | 107 | 52.2 Ų | 52.2 | 56% | 0.56 | 26% | 0.258 | S | S | * | . | trans | -82.8 | -47.1 | -171.8 | -61.3 | 178.3 | 0 | 0 | 0 | 113.1 | V164 | L162-V164 PolarHBondContact O-N 2.74Š| ||
| 163 | Q | 93.2 | Very high | 94.3 | Very high | 86 Ų | 86 | 53.3 Ų | 53.3 | 40% | 0.402 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 78.4 | -174.9 | -69.1 | -174.6 | -39.8 | 0 | 0 | 110.8 | Y182 Q183 | Q163-Y182 CarbonylContact O-C 3.58Å; Q163-Y182 VanDerWaalsContact O-CA 3.23Å; Q163-Y182 WeakPolarHBondContact O-CA 3.34Å; Q163-Y182 WeakPolarHBondContact O-CB 3.48Å; Q163-Q183 HydrophobicContact CB-CB 4.3Å; Q163-Q183 PolarHBondContact O-N 2.95Å |
| 164 | V | 95.2 | Very high | 94.1 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 128.7 | 175.4 | -179.2 | 0 | 0 | 0 | 0 | 110 | T118 R134 L159 L162 V167 F180 | T118-V164 PolarHBondContact OG1-O 2.81Å; R134-V164 PolarHBondContact NH1-O 3.26Å; L159-V164 HydrophobicContact CD2-CG2 3.88Å; L162-V164 PolarHBondContact O-N 2.74Å; V164-V167 HydrophobicContact CG1-CG2 3.3Å; V164-F180 HydrophobicContact CG1-CB 4.09Å; V164-F180 HydrophobicContact CG1-CD2 4.13Å; V164-F180 HydrophobicContact CG1-CG 4.44Å; V164-F180 HydrophobicContact CG2-CD2 4.19Å; V164-F180 HydrophobicContact CG2-CE2 4.49Å |
| 165 | I | 94.5 | Very high | 93.9 | Very high | 31 Ų | 31 | 55.6 Ų | 55.6 | 16% | 0.159 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -59.5 | -179.3 | -54.1 | -58 | 0 | 0 | 0 | 110.1 | T118 I181 Q183 | T118-I165 HydrophobicContact CG2-CD1 4.37Å; T118-I165 PolarHBondContact OG1-O 2.68Å; I165-I181 HydrophobicContact CB-CB 4.18Å; I165-I181 HydrophobicContact CB-CG2 4.11Å; I165-I181 HydrophobicContact CG1-CG2 4.05Å; I165-I181 PolarHBondContact N-O 3.07Å; I165-Q183 HydrophobicContact CD1-CB 4.38Å |
| 166 | D | 96.2 | Very high | 94 | Very high | 21 Ų | 21 | 54.7 Ų | 54.7 | 11% | 0.112 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 151.9 | -179.4 | -174.6 | 29.2 | 0 | 0 | 0 | 111.3 | H168 F180 I181 V219 | D166-H168 IonicContact OD1-CE1 3.48Å; D166-H168 PolarHBondContact OD1-CE1 3.28Å; D166-H168 IonicContact OD1-ND1 3.33Å; D166-H168 PolarHBondContact OD1-ND1 2.87Å; D166-H168 IonicContact OD2-CE1 2.66Å; D166-H168 PolarHBondContact OD2-CE1 3.32Å; D166-H168 VanDerWaalsContact OD2-CE1 3.25Å; D166-H168 IonicContact OD2-ND1 3.52Å; D166-H168 PolarHBondContact OD2-ND1 2.81Å; D166-F180 CarbonylContact O-C 3.56Å; D166-F180 WeakPolarHBondContact O-CA 3.49Å; D166-F180 WeakPolarHBondContact O-CB 3.3Å; D166-I181 PolarHBondContact O-N 2.94Å; D166-V219 HydrophobicContact CB-CG2 4.3Å; D166-V219 PolarHBondContact OD2-N 2.82Å |
| 167 | V | 96.6 | Very high | 94 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 132.2 | -174.4 | -170.9 | 0 | 0 | 0 | 0 | 110.4 | I123 F140 V164 V178 C179 F180 | I123-V167 HydrophobicContact CD1-CB 4.23Å; I123-V167 HydrophobicContact CD1-CG1 3.63Å; I123-V167 VanDerWaalsContact CG2-O 3.28Å; I123-V167 WeakPolarHBondContact CG2-O 3.41Å; F140-V167 HydrophobicContact CE2-CG1 4.23Å; V164-V167 HydrophobicContact CG1-CG2 3.3Å; V167-V178 HydrophobicContact CG1-CB 4.28Å; V167-C179 WeakPolarHBondContact CA-O 3.44Å; V167-F180 HydrophobicContact CB-CB 4.07Å; V167-F180 HydrophobicContact CG1-CB 4.06Å; V167-F180 HydrophobicContact CG2-CB 3.7Å |
| 168 | H | 97.1 | Very high | 94 | Very high | 41 Ų | 41 | 51.8 Ų | 51.8 | 19% | 0.19 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 151 | 173.4 | -76.8 | 86.8 | 0 | 0 | 0 | 112.7 | D166 V178 C179 V219 P221 | D166-H168 IonicContact OD1-CE1 3.48Å; D166-H168 PolarHBondContact OD1-CE1 3.28Å; D166-H168 IonicContact OD1-ND1 3.33Å; D166-H168 PolarHBondContact OD1-ND1 2.87Å; D166-H168 IonicContact OD2-CE1 2.66Å; D166-H168 PolarHBondContact OD2-CE1 3.32Å; D166-H168 VanDerWaalsContact OD2-CE1 3.25Å; D166-H168 IonicContact OD2-ND1 3.52Å; D166-H168 PolarHBondContact OD2-ND1 2.81Å; H168-V178 WeakPolarHBondContact O-CA 3.39Å; H168-C179 PolarHBondContact N-O 2.74Å; H168-C179 PolarHBondContact O-N 2.9Å; H168-V219 HydrophobicContact CB-CG1 4.24Å; H168-V219 PolarHBondContact CE1-O 3.49Å; H168-V219 PolarHBondContact ND1-O 3.07Å; H168-P221 HydrophobicContact CB-CB 4.33Å; H168-P221 HydrophobicContact CB-CG 3.86Å |
| 169 | F | 97.4 | Very high | 94.1 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 2% | 0.022 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 136.7 | 169.9 | -79.5 | -75.2 | 0 | 0 | 0 | 110.7 | I123 D125 M130 F140 P176 T177 V178 V195 P221 | I123-F169 HydrophobicContact CB-CD2 4.14Å; I123-F169 HydrophobicContact CD1-CD2 3.61Å; I123-F169 HydrophobicContact CD1-CE2 3.8Å; I123-F169 HydrophobicContact CD1-CG 4.32Å; I123-F169 HydrophobicContact CG1-CD2 3.78Å; I123-F169 HydrophobicContact CG1-CE2 3.79Å; D125-F169 HydrophobicContact CB-CD1 4.16Å; D125-F169 HydrophobicContact CB-CD2 4.08Å; D125-F169 HydrophobicContact CB-CE1 4.34Å; D125-F169 HydrophobicContact CB-CE2 4.26Å; D125-F169 HydrophobicContact CB-CG 4.04Å; D125-F169 HydrophobicContact CB-CZ 4.41Å; M130-F169 HydrophobicContact CG-CE1 4.4Å; M130-F169 HydrophobicContact CG-CE2 4.5Å; M130-F169 HydrophobicContact CG-CZ 3.85Å; M130-F169 HydrophobicContact SD-CE1 4.13Å; M130-F169 HydrophobicContact SD-CZ 3.73Å; F140-F169 HydrophobicContact CZ-CZ 4.32Å; F169-P176 HydrophobicContact CD1-CB 4.35Å; F169-P176 HydrophobicContact CE1-CB 3.93Å; F169-T177 CarbonylContact C-O 3.48Å; F169-T177 WeakPolarHBondContact CA-O 3.21Å; F169-V178 HydrophobicContact CD1-CG1 3.59Å; F169-V178 HydrophobicContact CE1-CG1 3.3Å; F169-V178 HydrophobicContact CE2-CG1 4.4Å; F169-V178 HydrophobicContact CG-CG1 4.25Å; F169-V178 HydrophobicContact CZ-CG1 3.75Å; F169-V195 HydrophobicContact CE1-CG2 4.3Å; F169-P221 WeakPolarHBondContact O-CB 3.35Å |
| 170 | L | 96.1 | Very high | 94.2 | Very high | 6 Ų | 6 | 41.4 Ų | 41.4 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -80.8 | 149.7 | 176.4 | -61.2 | -179.4 | 0 | 0 | 0 | 111.8 | T177 C179 T192 W207 A229 | L170-T177 HydrophobicContact CD1-CG2 3.79Å; L170-T177 HydrophobicContact CG-CG2 4.4Å; L170-T177 PolarHBondContact N-O 2.98Å; L170-C179 HydrophobicContact CD1-CB 4.14Å; L170-C179 HydrophobicContact CD2-CB 3.6Å; L170-C179 HydrophobicContact CG-CB 3.85Å; L170-T192 HydrophobicContact CD1-CG2 4.12Å; L170-W207 HydrophobicContact CD1-CZ2 4.39Å; L170-A229 HydrophobicContact CD2-CB 3.94Å |
| 171 | Y | 93.9 | Very high | 94.4 | Very high | 70 Ų | 70 | 34 Ų | 34 | 28% | 0.275 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -86.1 | 154.9 | 173.3 | -67.7 | -95 | 0 | 0 | 0 | 111.8 | P126 C173 P221 P223 R263 | P126-Y171 HydrophobicContact CB-CD1 3.49Å; P126-Y171 VanDerWaalsContact CB-CD1 3.49Å; P126-Y171 HydrophobicContact CB-CE1 3.57Å; P126-Y171 HydrophobicContact CB-CG 4.28Å; P126-Y171 HydrophobicContact CG-CD1 3.53Å; P126-Y171 HydrophobicContact CG-CD2 4.26Å; P126-Y171 HydrophobicContact CG-CE1 3.59Å; P126-Y171 HydrophobicContact CG-CE2 4.29Å; P126-Y171 HydrophobicContact CG-CG 3.88Å; Y171-C173 VanDerWaalsContact C-N 3.3Å; Y171-C173 PolarHBondContact O-N 3.35Å; Y171-P221 HydrophobicContact CD2-CB 3.92Å; Y171-P221 HydrophobicContact CE2-CB 3.85Å; Y171-P221 HydrophobicContact CE2-CG 3.96Å; Y171-P223 HydrophobicContact CD1-CB 4.21Å; Y171-P223 HydrophobicContact CD2-CB 4.34Å; Y171-P223 HydrophobicContact CE1-CB 4.4Å; Y171-P223 HydrophobicContact CG-CB 4.19Å; Y171-R263 PolarHBondContact OH-NH1 3.45Å |
| 172 | G | 88.1 | Confident | 94.5 | Very high | 53 Ų | 53 | 34.9 Ų | 34.9 | 55% | 0.546 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 72.6 | 15.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | E224 | G172-E224 VanDerWaalsContact CA-OE1 3.25Å; G172-E224 WeakPolarHBondContact CA-OE1 3.47Å |
| 173 | C | 89.7 | Confident | 94.7 | Very high | 30 Ų | 30 | 33.5 Ų | 33.5 | 20% | 0.203 | 18% | 0.178 | C | C | . | . | trans | -99.3 | 132.1 | 179.9 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | R129 Y171 A175 T177 | R129-C173 PolarHBondContact NH2-O 3.01Å; Y171-C173 VanDerWaalsContact C-N 3.3Å; Y171-C173 PolarHBondContact O-N 3.35Å; C173-A175 VanDerWaalsContact C-N 3.34Å; C173-A175 CarbonylContact C-O 3.3Å; C173-A175 VanDerWaalsContact CB-O 3.24Å; C173-A175 WeakPolarHBondContact CB-O 3.37Å; C173-A175 PolarHBondContact O-N 2.96Å; C173-T177 WeakPolarHBondContact CB-OG1 3.4Å | ||
| 174 | Q | 89 | Confident | 94.6 | Very high | 196 Ų | 196 | 31.5 Ų | 31.5 | 92% | 0.916 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -61.6 | -40.6 | 179.1 | -68.8 | -172.7 | -2.7 | 0 | 0 | 112.6 | R129 | R129-Q174 PolarHBondContact NH1-O 3.39Š|
| 175 | A | 92.4 | Very high | 94.5 | Very high | 27 Ų | 27 | 38 Ų | 38 | 22% | 0.223 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -96.3 | 152 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | C173 T177 E194 | C173-A175 VanDerWaalsContact C-N 3.34Å; C173-A175 CarbonylContact C-O 3.3Å; C173-A175 VanDerWaalsContact CB-O 3.24Å; C173-A175 WeakPolarHBondContact CB-O 3.37Å; C173-A175 PolarHBondContact O-N 2.96Å; A175-T177 PolarHBondContact O-N 3.49Å; A175-T177 PolarHBondContact O-OG1 2.83Å; A175-E194 HydrophobicContact CB-CB 4.28Å; A175-E194 HydrophobicContact CB-CG 4.1Å |
| 176 | P | 95.6 | Very high | 94.4 | Very high | 12 Ų | 12 | 44.2 Ų | 44.2 | 8% | 0.078 | 24% | 0.241 | C | C | . | . | trans | -59.2 | 113 | 169.1 | -19.1 | 30.2 | 0 | 0 | 0 | 109.4 | R129 M130 F169 V195 | R129-P176 VanDerWaalsContact NH2-CA 3.35Å; M130-P176 HydrophobicContact CE-CB 3.79Å; M130-P176 HydrophobicContact CE-CG 3.65Å; M130-P176 HydrophobicContact SD-CB 4.29Å; F169-P176 HydrophobicContact CD1-CB 4.35Å; F169-P176 HydrophobicContact CE1-CB 3.93Å; P176-V195 HydrophobicContact CB-CB 4.36Å; P176-V195 PolarHBondContact O-N 3.42Å | ||
| 177 | T | 96.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 122.6 | -176.9 | -56.5 | 0 | 0 | 0 | 0 | 109.6 | F169 L170 C173 A175 Y193 P206 | F169-T177 CarbonylContact C-O 3.48Å; F169-T177 WeakPolarHBondContact CA-O 3.21Å; L170-T177 HydrophobicContact CD1-CG2 3.79Å; L170-T177 HydrophobicContact CG-CG2 4.4Å; L170-T177 PolarHBondContact N-O 2.98Å; C173-T177 WeakPolarHBondContact CB-OG1 3.4Å; A175-T177 PolarHBondContact O-N 3.49Å; A175-T177 PolarHBondContact O-OG1 2.83Å; T177-Y193 CarbonylContact C-O 3.51Å; T177-Y193 VanDerWaalsContact CA-O 3.28Å; T177-Y193 WeakPolarHBondContact CA-O 3.49Å; T177-P206 HydrophobicContact CG2-CG 3.96Å |
| 178 | V | 96.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 140 | 173.5 | -65.3 | 0 | 0 | 0 | 0 | 110 | F140 V167 H168 F169 F180 T192 Y193 V195 F202 | F140-V178 HydrophobicContact CE1-CG1 4.18Å; F140-V178 HydrophobicContact CZ-CG1 3.84Å; V167-V178 HydrophobicContact CG1-CB 4.28Å; H168-V178 WeakPolarHBondContact O-CA 3.39Å; F169-V178 HydrophobicContact CD1-CG1 3.59Å; F169-V178 HydrophobicContact CE1-CG1 3.3Å; F169-V178 HydrophobicContact CE2-CG1 4.4Å; F169-V178 HydrophobicContact CG-CG1 4.25Å; F169-V178 HydrophobicContact CZ-CG1 3.75Å; V178-F180 HydrophobicContact CG2-CD1 4.45Å; V178-T192 CarbonylContact O-C 3.58Å; V178-T192 WeakPolarHBondContact O-CA 3.45Å; V178-T192 WeakPolarHBondContact O-CB 3.48Å; V178-Y193 PolarHBondContact N-O 3.3Å; V178-Y193 PolarHBondContact O-N 3.12Å; V178-V195 HydrophobicContact CG1-CG2 4.01Å; V178-V195 HydrophobicContact CG2-CG2 4.27Å; V178-F202 HydrophobicContact CG2-CE1 4.17Å |
| 179 | C | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 131.9 | 171.6 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | V167 H168 L170 T192 V219 | V167-C179 WeakPolarHBondContact CA-O 3.44Å; H168-C179 PolarHBondContact N-O 2.74Å; H168-C179 PolarHBondContact O-N 2.9Å; L170-C179 HydrophobicContact CD1-CB 4.14Å; L170-C179 HydrophobicContact CD2-CB 3.6Å; L170-C179 HydrophobicContact CG-CB 3.85Å; C179-T192 HydrophobicContact CB-CG2 4.04Å; C179-V219 HydrophobicContact CB-CG1 4.4Å |
| 180 | F | 96.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 153.7 | -176.8 | 60 | -83.6 | 0 | 0 | 0 | 112.9 | L159 E161 V164 D166 V167 V178 Y182 V190 K191 Y193 | L159-F180 HydrophobicContact CD2-CE2 4.21Å; L159-F180 HydrophobicContact CD2-CZ 4.33Å; E161-F180 HydrophobicContact CB-CE2 4.22Å; E161-F180 HydrophobicContact CG-CE2 4.28Å; V164-F180 HydrophobicContact CG1-CB 4.09Å; V164-F180 HydrophobicContact CG1-CD2 4.13Å; V164-F180 HydrophobicContact CG1-CG 4.44Å; V164-F180 HydrophobicContact CG2-CD2 4.19Å; V164-F180 HydrophobicContact CG2-CE2 4.49Å; D166-F180 CarbonylContact O-C 3.56Å; D166-F180 WeakPolarHBondContact O-CA 3.49Å; D166-F180 WeakPolarHBondContact O-CB 3.3Å; V167-F180 HydrophobicContact CB-CB 4.07Å; V167-F180 HydrophobicContact CG1-CB 4.06Å; V167-F180 HydrophobicContact CG2-CB 3.7Å; V178-F180 HydrophobicContact CG2-CD1 4.45Å; F180-Y182 HydrophobicContact CD2-CD1 4.23Å; F180-Y182 AromaticContact CE2-CD1 3.82Å; F180-Y182 HydrophobicContact CE2-CD1 3.82Å; F180-Y182 HydrophobicContact CE2-CG 4.36Å; F180-V190 WeakPolarHBondContact O-CA 3.48Å; F180-K191 WeakPolarHBondContact CD1-O 3.42Å; F180-K191 HydrophobicContact CE1-CB 4.42Å; F180-K191 HydrophobicContact CE2-CB 4.41Å; F180-K191 HydrophobicContact CZ-CB 4.05Å; F180-K191 HydrophobicContact CZ-CG 4.46Å; F180-K191 PolarHBondContact N-O 2.9Å; F180-K191 PolarHBondContact O-N 2.85Å; F180-K191 VanDerWaalsContact O-N 3.08Å; F180-Y193 AromaticContact CE1-CD2 3.46Å; F180-Y193 HydrophobicContact CE1-CD2 3.46Å; F180-Y193 VanDerWaalsContact CE1-CD2 3.46Å; F180-Y193 AromaticContact CE1-CE2 3.81Å; F180-Y193 HydrophobicContact CE1-CE2 3.81Å; F180-Y193 HydrophobicContact CE1-CG 4.41Å; F180-Y193 AromaticContact CZ-CD2 3.74Å; F180-Y193 HydrophobicContact CZ-CD2 3.74Å; F180-Y193 AromaticContact CZ-CE2 3.55Å; F180-Y193 HydrophobicContact CZ-CE2 3.55Å |
| 181 | I | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 134.2 | 170.8 | -59.5 | 158.4 | 0 | 0 | 0 | 107.6 | I165 D166 R188 H189 A216 V219 I231 | I165-I181 HydrophobicContact CB-CB 4.18Å; I165-I181 HydrophobicContact CB-CG2 4.11Å; I165-I181 HydrophobicContact CG1-CG2 4.05Å; I165-I181 PolarHBondContact N-O 3.07Å; D166-I181 PolarHBondContact O-N 2.94Å; I181-R188 HydrophobicContact CG2-CB 4.3Å; I181-H189 WeakPolarHBondContact CA-O 3.45Å; I181-A216 HydrophobicContact CD1-CB 4.18Å; I181-A216 HydrophobicContact CG2-CB 4.33Å; I181-V219 HydrophobicContact CB-CG2 4.5Å; I181-V219 HydrophobicContact CD1-CG2 3.47Å; I181-V219 VanDerWaalsContact CD1-CG2 3.47Å; I181-V219 HydrophobicContact CG1-CG2 3.54Å; I181-I231 HydrophobicContact CD1-CD1 4.2Å; I181-I231 HydrophobicContact CD1-CG2 3.85Å; I181-I231 HydrophobicContact CG1-CD1 4.17Å; I181-I231 HydrophobicContact CG1-CG2 4.39Å |
| 182 | Y | 95.3 | Very high | 94 | Very high | 36 Ų | 36 | 42.7 Ų | 42.7 | 14% | 0.141 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 156.6 | 171.8 | 73.8 | -85 | 0 | 0 | 0 | 111 | E161 Q163 F180 D184 R188 H189 K191 | E161-Y182 HydrophobicContact CB-CD1 4.28Å; E161-Y182 HydrophobicContact CB-CD2 3.81Å; E161-Y182 HydrophobicContact CB-CE2 4.37Å; E161-Y182 HydrophobicContact CB-CG 3.76Å; E161-Y182 HydrophobicContact CG-CD1 3.85Å; E161-Y182 HydrophobicContact CG-CD2 3.67Å; E161-Y182 HydrophobicContact CG-CE1 3.89Å; E161-Y182 HydrophobicContact CG-CE2 3.74Å; E161-Y182 HydrophobicContact CG-CG 3.73Å; Q163-Y182 CarbonylContact O-C 3.58Å; Q163-Y182 VanDerWaalsContact O-CA 3.23Å; Q163-Y182 WeakPolarHBondContact O-CA 3.34Å; Q163-Y182 WeakPolarHBondContact O-CB 3.48Å; F180-Y182 HydrophobicContact CD2-CD1 4.23Å; F180-Y182 AromaticContact CE2-CD1 3.82Å; F180-Y182 HydrophobicContact CE2-CD1 3.82Å; F180-Y182 HydrophobicContact CE2-CG 4.36Å; Y182-D184 HydrophobicContact CD2-CB 4.48Å; Y182-D184 HydrophobicContact CE2-CB 4.23Å; Y182-R188 WeakPolarHBondContact O-CA 3.36Å; Y182-H189 HydrophobicContact CD1-CB 4.09Å; Y182-H189 HydrophobicContact CE1-CB 3.48Å; Y182-H189 VanDerWaalsContact CE1-CB 3.48Å; Y182-H189 HydrophobicContact CE2-CB 4.09Å; Y182-H189 AromaticContact CE2-CD2 3.67Å; Y182-H189 VanDerWaalsContact CZ-CB 3.47Å; Y182-H189 AromaticContact CZ-CD2 3.75Å; Y182-H189 AromaticContact CZ-CG 3.93Å; Y182-H189 PolarHBondContact N-O 2.88Å; Y182-H189 PolarHBondContact O-N 3Å; Y182-K191 HydrophobicContact CE1-CB 4.08Å; Y182-K191 HydrophobicContact CE1-CD 4.39Å |
| 183 | Q | 94.6 | Very high | 94.4 | Very high | 77 Ų | 77 | 41.4 Ų | 41.4 | 36% | 0.36 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 136.6 | 177.9 | -174.7 | 165.1 | -28.8 | 0 | 0 | 110.5 | Q163 I165 R188 | Q163-Q183 HydrophobicContact CB-CB 4.3Å; Q163-Q183 PolarHBondContact O-N 2.95Å; I165-Q183 HydrophobicContact CD1-CB 4.38Å; Q183-R188 HydrophobicContact CB-CG 4.17Å; Q183-R188 HydrophobicContact CG-CG 4.25Å |
| 184 | D | 92.6 | Very high | 94.7 | Very high | 45 Ų | 45 | 43.1 Ų | 43.1 | 24% | 0.241 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 179.6 | 170.5 | 80.1 | 26.6 | 0 | 0 | 0 | 110.1 | Y182 Q186 G187 H189 | Y182-D184 HydrophobicContact CD2-CB 4.48Å; Y182-D184 HydrophobicContact CE2-CB 4.23Å; D184-Q186 PolarHBondContact O-N 2.87Å; D184-Q186 VanDerWaalsContact O-N 3.09Å; D184-Q186 WeakPolarHBondContact OD1-CA 3.4Å; D184-Q186 VanDerWaalsContact OD1-CB 3.24Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.44Å; D184-Q186 PolarHBondContact OD1-N 3.06Å; D184-G187 PolarHBondContact N-O 2.94Å; D184-G187 PolarHBondContact O-N 3.15Å; D184-G187 VanDerWaalsContact O-N 3.13Å; D184-G187 PolarHBondContact OD1-N 2.99Å; D184-H189 IonicContact OD1-CD2 3.99Å; D184-H189 IonicContact OD1-NE2 2.7Å; D184-H189 PolarHBondContact OD1-NE2 2.68Å; D184-H189 VanDerWaalsContact OD1-NE2 3.14Å; D184-H189 IonicContact OD2-CD2 3.45Å; D184-H189 PolarHBondContact OD2-CD2 2.94Å; D184-H189 VanDerWaalsContact OD2-CD2 3.28Å; D184-H189 IonicContact OD2-NE2 3.09Å; D184-H189 PolarHBondContact OD2-NE2 3.25Å |
| 185 | P | 93.4 | Very high | 95.1 | Very high | 142 Ų | 142 | 34 Ų | 34 | 92% | 0.922 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -14.8 | -179.5 | -25.8 | 36 | 0 | 0 | 0 | 115.9 | ||
| 186 | Q | 91.3 | Very high | 95.2 | Very high | 162 Ų | 162 | 33.7 Ų | 33.7 | 76% | 0.757 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -15 | 179 | -54.5 | 177.6 | 20.7 | 0 | 0 | 112.5 | D184 | D184-Q186 PolarHBondContact O-N 2.87Å; D184-Q186 VanDerWaalsContact O-N 3.09Å; D184-Q186 WeakPolarHBondContact OD1-CA 3.4Å; D184-Q186 VanDerWaalsContact OD1-CB 3.24Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.44Å; D184-Q186 PolarHBondContact OD1-N 3.06Å |
| 187 | G | 92.9 | Very high | 95 | Very high | 28 Ų | 28 | 36.3 Ų | 36.3 | 29% | 0.289 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 140.8 | -158.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D184 | D184-G187 PolarHBondContact N-O 2.94Å; D184-G187 PolarHBondContact O-N 3.15Å; D184-G187 VanDerWaalsContact O-N 3.13Å; D184-G187 PolarHBondContact OD1-N 2.99Å |
| 188 | R | 94.6 | Very high | 94.9 | Very high | 31 Ų | 31 | 47.6 Ų | 47.6 | 12% | 0.117 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 141.4 | 168.5 | -67.5 | -166.1 | -172.6 | 151.3 | 26.5 | 110.2 | I181 Y182 Q183 V212 A214 E215 A216 | I181-R188 HydrophobicContact CG2-CB 4.3Å; Y182-R188 WeakPolarHBondContact O-CA 3.36Å; Q183-R188 HydrophobicContact CB-CG 4.17Å; Q183-R188 HydrophobicContact CG-CG 4.25Å; R188-V212 HydrophobicContact CB-CG2 3.99Å; R188-V212 VanDerWaalsContact O-CG2 3.29Å; R188-V212 WeakPolarHBondContact O-CG2 3.37Å; R188-V212 PolarHBondContact O-N 3.48Å; R188-V212 VanDerWaalsContact O-N 3.15Å; R188-A214 WeakPolarHBondContact CD-O 3.38Å; R188-A214 WeakPolarHBondContact CG-O 3.27Å; R188-A214 PolarHBondContact NE-O 3.39Å; R188-A214 PolarHBondContact NH2-O 2.8Å; R188-E215 IonicContact CZ-OE2 3.34Å; R188-E215 VanDerWaalsContact NH1-CA 3.34Å; R188-E215 PolarHBondContact NH1-O 2.85Å; R188-E215 IonicContact NH1-OE2 2.65Å; R188-E215 IonicContact NH2-OE1 3.28Å; R188-E215 IonicContact NH2-OE2 3.14Å; R188-E215 PolarHBondContact NH2-OE2 2.76Å; R188-A216 WeakPolarHBondContact CD-O 3.49Å; R188-A216 VanDerWaalsContact NH1-C 3.33Å; R188-A216 PolarHBondContact NH1-O 2.75Å |
| 189 | H | 95.1 | Very high | 94.7 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.028 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 154.4 | -174.1 | -54.4 | -58.6 | 0 | 0 | 0 | 110.5 | I181 Y182 D184 E210 N211 | I181-H189 WeakPolarHBondContact CA-O 3.45Å; Y182-H189 HydrophobicContact CD1-CB 4.09Å; Y182-H189 HydrophobicContact CE1-CB 3.48Å; Y182-H189 VanDerWaalsContact CE1-CB 3.48Å; Y182-H189 HydrophobicContact CE2-CB 4.09Å; Y182-H189 AromaticContact CE2-CD2 3.67Å; Y182-H189 VanDerWaalsContact CZ-CB 3.47Å; Y182-H189 AromaticContact CZ-CD2 3.75Å; Y182-H189 AromaticContact CZ-CG 3.93Å; Y182-H189 PolarHBondContact N-O 2.88Å; Y182-H189 PolarHBondContact O-N 3Å; D184-H189 IonicContact OD1-CD2 3.99Å; D184-H189 IonicContact OD1-NE2 2.7Å; D184-H189 PolarHBondContact OD1-NE2 2.68Å; D184-H189 VanDerWaalsContact OD1-NE2 3.14Å; D184-H189 IonicContact OD2-CD2 3.45Å; D184-H189 PolarHBondContact OD2-CD2 2.94Å; D184-H189 VanDerWaalsContact OD2-CD2 3.28Å; D184-H189 IonicContact OD2-NE2 3.09Å; D184-H189 PolarHBondContact OD2-NE2 3.25Å; H189-E210 WeakPolarHBondContact CA-O 3.45Å; H189-E210 WeakPolarHBondContact CB-O 3.49Å; H189-E210 VanDerWaalsContact ND1-C 3.26Å; H189-E210 PolarHBondContact ND1-O 2.8Å; H189-N211 PolarHBondContact CE1-OD1 3.12Å; H189-N211 VanDerWaalsContact CE1-OD1 3.24Å |
| 190 | V | 95.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 129.6 | 176.1 | 65.7 | 0 | 0 | 0 | 0 | 111.3 | F180 W207 Q209 V212 I231 | F180-V190 WeakPolarHBondContact O-CA 3.48Å; V190-W207 HydrophobicContact CG1-CZ3 4.32Å; V190-W207 HydrophobicContact CG2-CZ3 4.44Å; V190-Q209 HydrophobicContact CG1-CB 3.61Å; V190-Q209 HydrophobicContact CG1-CG 4.21Å; V190-Q209 PolarHBondContact N-O 2.87Å; V190-Q209 PolarHBondContact O-N 2.81Å; V190-V212 HydrophobicContact CB-CG1 4.18Å; V190-V212 HydrophobicContact CG1-CG1 3.61Å; V190-I231 HydrophobicContact CG2-CD1 3.93Å |
| 191 | K | 95.1 | Very high | 94.5 | Very high | 44 Ų | 44 | 64.9 Ų | 64.9 | 19% | 0.191 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 153.6 | -173.7 | -167.5 | 171.6 | 178.1 | -177 | 0 | 111.2 | E161 F180 Y182 Y193 K208 | E161-K191 IonicContact OE1-NZ 2.67Å; E161-K191 PolarHBondContact OE1-NZ 3.24Å; F180-K191 WeakPolarHBondContact CD1-O 3.42Å; F180-K191 HydrophobicContact CE1-CB 4.42Å; F180-K191 HydrophobicContact CE2-CB 4.41Å; F180-K191 HydrophobicContact CZ-CB 4.05Å; F180-K191 HydrophobicContact CZ-CG 4.46Å; F180-K191 PolarHBondContact N-O 2.9Å; F180-K191 PolarHBondContact O-N 2.85Å; F180-K191 VanDerWaalsContact O-N 3.08Å; Y182-K191 HydrophobicContact CE1-CB 4.08Å; Y182-K191 HydrophobicContact CE1-CD 4.39Å; K191-Y193 VanDerWaalsContact CE-OH 3.24Å; K191-Y193 WeakPolarHBondContact CE-OH 3.47Å; K191-Y193 PolarHBondContact NZ-OH 3.32Å; K191-K208 HydrophobicContact CG-CB 4.32Å |
| 192 | T | 96.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 66.4 Ų | 66.4 | 3% | 0.025 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 146.9 | 175.4 | 66.1 | 0 | 0 | 0 | 0 | 112.1 | L170 V178 C179 G205 P206 W207 | L170-T192 HydrophobicContact CD1-CG2 4.12Å; V178-T192 CarbonylContact O-C 3.58Å; V178-T192 WeakPolarHBondContact O-CA 3.45Å; V178-T192 WeakPolarHBondContact O-CB 3.48Å; C179-T192 HydrophobicContact CB-CG2 4.04Å; T192-G205 WeakPolarHBondContact O-CA 3.4Å; T192-G205 PolarHBondContact O-N 3.02Å; T192-G205 WeakPolarHBondContact OG1-CA 3.29Å; T192-P206 WeakPolarHBondContact OG1-CD 3.05Å; T192-W207 HydrophobicContact CG2-CD2 4.06Å; T192-W207 HydrophobicContact CG2-CE3 4.39Å; T192-W207 HydrophobicContact CG2-CH2 4.29Å; T192-W207 HydrophobicContact CG2-CZ2 4Å; T192-W207 HydrophobicContact CG2-CZ3 4.49Å; T192-W207 PolarHBondContact N-O 3.07Å; T192-W207 PolarHBondContact OG1-N 3.03Å; T192-W207 PolarHBondContact OG1-O 3.27Å |
| 193 | Y | 96.7 | Very high | 94.4 | Very high | 26 Ų | 26 | 67.8 Ų | 67.8 | 10% | 0.102 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 146.9 | 171 | -73.9 | -54.6 | 0 | 0 | 0 | 111.1 | E161 T177 V178 F180 K191 F202 | E161-Y193 PolarHBondContact OE1-OH 3.16Å; E161-Y193 VanDerWaalsContact OE1-OH 3.12Å; E161-Y193 PolarHBondContact OE2-OH 3.36Å; E161-Y193 VanDerWaalsContact OE2-OH 3.12Å; T177-Y193 CarbonylContact C-O 3.51Å; T177-Y193 VanDerWaalsContact CA-O 3.28Å; T177-Y193 WeakPolarHBondContact CA-O 3.49Å; V178-Y193 PolarHBondContact N-O 3.3Å; V178-Y193 PolarHBondContact O-N 3.12Å; F180-Y193 AromaticContact CE1-CD2 3.46Å; F180-Y193 HydrophobicContact CE1-CD2 3.46Å; F180-Y193 VanDerWaalsContact CE1-CD2 3.46Å; F180-Y193 AromaticContact CE1-CE2 3.81Å; F180-Y193 HydrophobicContact CE1-CE2 3.81Å; F180-Y193 HydrophobicContact CE1-CG 4.41Å; F180-Y193 AromaticContact CZ-CD2 3.74Å; F180-Y193 HydrophobicContact CZ-CD2 3.74Å; F180-Y193 AromaticContact CZ-CE2 3.55Å; F180-Y193 HydrophobicContact CZ-CE2 3.55Å; K191-Y193 VanDerWaalsContact CE-OH 3.24Å; K191-Y193 WeakPolarHBondContact CE-OH 3.47Å; K191-Y193 PolarHBondContact NZ-OH 3.32Å; Y193-F202 HydrophobicContact CD1-CB 4.08Å; Y193-F202 HydrophobicContact CD2-CD1 4.32Å; Y193-F202 HydrophobicContact CD2-CD2 4.22Å; Y193-F202 HydrophobicContact CD2-CG 4.13Å; Y193-F202 HydrophobicContact CG-CB 4.05Å; Y193-F202 HydrophobicContact CG-CD1 4.12Å; Y193-F202 HydrophobicContact CG-CG 4.02Å |
| 194 | E | 96.3 | Very high | 94.3 | Very high | 66 Ų | 66 | 73 Ų | 73 | 31% | 0.308 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 135.3 | 167.3 | -73.3 | -177.4 | 178.8 | 0 | 0 | 110.1 | A175 F202 N203 | A175-E194 HydrophobicContact CB-CB 4.28Å; A175-E194 HydrophobicContact CB-CG 4.1Å; E194-F202 WeakPolarHBondContact O-CA 3.48Å; E194-N203 HydrophobicContact CB-CB 3.97Å; E194-N203 PolarHBondContact N-O 2.96Å; E194-N203 PolarHBondContact O-N 3.31Å |
| 195 | V | 96.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.024 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 108.8 | -176.1 | -167.5 | 0 | 0 | 0 | 0 | 110.3 | M130 V142 I157 F169 P176 V178 L197 F202 | M130-V195 HydrophobicContact CE-CB 3.77Å; M130-V195 HydrophobicContact CE-CG1 3.57Å; M130-V195 HydrophobicContact SD-CB 4.07Å; M130-V195 HydrophobicContact SD-CG1 3.74Å; V142-V195 HydrophobicContact CG2-CG1 4.1Å; I157-V195 HydrophobicContact CD1-CG1 3.66Å; F169-V195 HydrophobicContact CE1-CG2 4.3Å; P176-V195 HydrophobicContact CB-CB 4.36Å; P176-V195 PolarHBondContact O-N 3.42Å; V178-V195 HydrophobicContact CG1-CG2 4.01Å; V178-V195 HydrophobicContact CG2-CG2 4.27Å; V195-L197 PolarHBondContact O-N 3.15Å; V195-F202 HydrophobicContact CG2-CD1 4.06Å; V195-F202 HydrophobicContact CG2-CE1 3.79Å |
| 196 | S | 94.9 | Very high | 94 | Very high | 21 Ų | 21 | 68 Ų | 68 | 15% | 0.147 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 104.4 | 179 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | R198 E199 K200 E201 | S196-R198 PolarHBondContact O-N 2.8Å; S196-E199 WeakPolarHBondContact CB-OE2 3.47Å; S196-E199 PolarHBondContact O-N 3.26Å; S196-E199 WeakPolarHBondContact OG-CB 3.47Å; S196-E199 PolarHBondContact OG-N 2.91Å; S196-E199 PolarHBondContact OG-OE2 2.8Å; S196-K200 WeakPolarHBondContact O-CA 3.26Å; S196-K200 PolarHBondContact O-N 2.92Å; S196-E201 PolarHBondContact N-O 2.84Å |
| 197 | L | 92.8 | Very high | 94.1 | Very high | 67 Ų | 67 | 61.7 Ų | 61.7 | 35% | 0.351 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -26.9 | 175.1 | -71.9 | 174.6 | 0 | 0 | 0 | 113 | M130 V142 P144 F155 V195 | M130-L197 HydrophobicContact CB-CD2 4.35Å; M130-L197 HydrophobicContact CE-CD1 3.97Å; M130-L197 HydrophobicContact CE-CD2 3.34Å; M130-L197 HydrophobicContact CE-CG 3.39Å; M130-L197 HydrophobicContact SD-CD2 4.34Å; V142-L197 HydrophobicContact CG1-CD2 3.86Å; P144-L197 HydrophobicContact CG-CD2 4.37Å; F155-L197 HydrophobicContact CE1-CD2 4.15Å; F155-L197 HydrophobicContact CZ-CD2 4.09Å; V195-L197 PolarHBondContact O-N 3.15Å |
| 198 | R | 92.5 | Very high | 93.9 | Very high | 238 Ų | 238 | 66.2 Ų | 66.2 | 90% | 0.898 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -45 | -178.2 | -173.6 | 179.3 | -178.3 | -178.9 | 0 | 112 | S196 | S196-R198 PolarHBondContact O-N 2.8Š|
| 199 | E | 93 | Very high | 93.4 | Very high | 116 Ų | 116 | 68.4 Ų | 68.4 | 54% | 0.542 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -20.7 | -178.8 | -66.1 | 161.2 | 158.3 | 0 | 0 | 111.9 | S196 E201 N203 | S196-E199 WeakPolarHBondContact CB-OE2 3.47Å; S196-E199 PolarHBondContact O-N 3.26Å; S196-E199 WeakPolarHBondContact OG-CB 3.47Å; S196-E199 PolarHBondContact OG-N 2.91Å; S196-E199 PolarHBondContact OG-OE2 2.8Å; E199-E201 PolarHBondContact O-N 3.42Å; E199-N203 PolarHBondContact OE2-ND2 2.84Å |
| 200 | K | 94.7 | Very high | 92.7 | Very high | 117 Ų | 117 | 73.7 Ų | 73.7 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 33.1 | -175 | -56.3 | -175.2 | 177.3 | -174 | 0 | 113 | F155 S196 | F155-K200 HydrophobicContact CB-CD 4.44Å; F155-K200 HydrophobicContact CD1-CD 4.28Å; F155-K200 HydrophobicContact CD1-CG 4.44Å; F155-K200 HydrophobicContact CD2-CB 3.72Å; F155-K200 HydrophobicContact CD2-CD 4.04Å; F155-K200 HydrophobicContact CD2-CG 3.94Å; F155-K200 HydrophobicContact CE1-CG 4.28Å; F155-K200 HydrophobicContact CE2-CB 3.54Å; F155-K200 HydrophobicContact CE2-CD 4.36Å; F155-K200 HydrophobicContact CE2-CG 3.76Å; F155-K200 HydrophobicContact CG-CB 4.49Å; F155-K200 HydrophobicContact CG-CD 3.99Å; F155-K200 HydrophobicContact CG-CG 4.28Å; F155-K200 HydrophobicContact CZ-CB 4.18Å; F155-K200 HydrophobicContact CZ-CG 3.94Å; S196-K200 WeakPolarHBondContact O-CA 3.26Å; S196-K200 PolarHBondContact O-N 2.92Å |
| 201 | E | 94.9 | Very high | 92.4 | Very high | 131 Ų | 131 | 78.8 Ų | 78.8 | 61% | 0.612 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 165.2 | -179.9 | -69.2 | -173.6 | 168.1 | 0 | 0 | 110.5 | S196 E199 | S196-E201 PolarHBondContact N-O 2.84Å; E199-E201 PolarHBondContact O-N 3.42Å |
| 202 | F | 95.3 | Very high | 92.3 | Very high | 33 Ų | 33 | 78 Ų | 78 | 15% | 0.145 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 131.4 | 171 | -71.7 | -56.2 | 0 | 0 | 0 | 110.7 | F140 I157 L159 V178 Y193 E194 V195 | F140-F202 HydrophobicContact CB-CE2 4.1Å; F140-F202 HydrophobicContact CB-CZ 3.62Å; F140-F202 AromaticContact CD1-CE1 3.89Å; F140-F202 HydrophobicContact CD1-CE1 3.89Å; F140-F202 AromaticContact CD1-CZ 3.51Å; F140-F202 HydrophobicContact CD1-CZ 3.51Å; F140-F202 HydrophobicContact CE1-CE1 4.37Å; F140-F202 HydrophobicContact CE1-CZ 4.37Å; F140-F202 AromaticContact CG-CZ 3.76Å; F140-F202 HydrophobicContact CG-CZ 3.76Å; I157-F202 HydrophobicContact CB-CD2 4.25Å; I157-F202 HydrophobicContact CB-CE2 3.91Å; I157-F202 HydrophobicContact CB-CZ 4.2Å; I157-F202 HydrophobicContact CD1-CD1 4.41Å; I157-F202 HydrophobicContact CD1-CE1 4.26Å; I157-F202 HydrophobicContact CD1-CZ 4.48Å; I157-F202 HydrophobicContact CG2-CB 4.49Å; I157-F202 HydrophobicContact CG2-CD1 4.36Å; I157-F202 HydrophobicContact CG2-CD2 3.3Å; I157-F202 HydrophobicContact CG2-CE1 4.5Å; I157-F202 HydrophobicContact CG2-CE2 3.46Å; I157-F202 VanDerWaalsContact CG2-CE2 3.46Å; I157-F202 HydrophobicContact CG2-CG 3.79Å; I157-F202 HydrophobicContact CG2-CZ 4.1Å; L159-F202 HydrophobicContact CB-CE2 4.31Å; L159-F202 HydrophobicContact CD1-CE2 4.14Å; L159-F202 HydrophobicContact CD1-CZ 4.23Å; L159-F202 HydrophobicContact CG-CE2 4.13Å; V178-F202 HydrophobicContact CG2-CE1 4.17Å; Y193-F202 HydrophobicContact CD1-CB 4.08Å; Y193-F202 HydrophobicContact CD2-CD1 4.32Å; Y193-F202 HydrophobicContact CD2-CD2 4.22Å; Y193-F202 HydrophobicContact CD2-CG 4.13Å; Y193-F202 HydrophobicContact CG-CB 4.05Å; Y193-F202 HydrophobicContact CG-CD1 4.12Å; Y193-F202 HydrophobicContact CG-CG 4.02Å; E194-F202 WeakPolarHBondContact O-CA 3.48Å; V195-F202 HydrophobicContact CG2-CD1 4.06Å; V195-F202 HydrophobicContact CG2-CE1 3.79Å |
| 203 | N | 94.5 | Very high | 92 | Very high | 64 Ų | 64 | 79.8 Ų | 79.8 | 34% | 0.342 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 157.7 | 165 | -73 | -36.9 | 0 | 0 | 0 | 109.7 | E194 E199 G205 | E194-N203 HydrophobicContact CB-CB 3.97Å; E194-N203 PolarHBondContact N-O 2.96Å; E194-N203 PolarHBondContact O-N 3.31Å; E199-N203 PolarHBondContact OE2-ND2 2.84Å; N203-G205 PolarHBondContact O-N 2.82Å |
| 204 | K | 92.5 | Very high | 91.6 | Very high | 186 Ų | 186 | 81.7 Ų | 81.7 | 81% | 0.809 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 123.9 | -179.8 | -175.7 | -179.5 | 175.7 | -173.7 | 0 | 109.9 | ||
| 205 | G | 90.6 | Very high | 91.4 | Very high | 10 Ų | 10 | 82.9 Ų | 82.9 | 10% | 0.103 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 170.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T192 N203 W207 | T192-G205 WeakPolarHBondContact O-CA 3.4Å; T192-G205 PolarHBondContact O-N 3.02Å; T192-G205 WeakPolarHBondContact OG1-CA 3.29Å; N203-G205 PolarHBondContact O-N 2.82Å; G205-W207 PolarHBondContact O-N 2.8Å |
| 206 | P | 89.6 | Confident | 91.2 | Very high | 74 Ų | 74 | 82.7 Ų | 82.7 | 48% | 0.481 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | -33.1 | -173 | 24.9 | -36.2 | 0 | 0 | 0 | 114 | T177 T192 | T177-P206 HydrophobicContact CG2-CG 3.96Å; T192-P206 WeakPolarHBondContact OG1-CD 3.05Å |
| 207 | W | 92.4 | Very high | 91.1 | Very high | 28 Ų | 28 | 83.3 Ų | 83.3 | 11% | 0.106 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 160.6 | -178.8 | 52.2 | -88.7 | 0 | 0 | 0 | 112.7 | L170 V190 T192 G205 A229 H240 G242 | L170-W207 HydrophobicContact CD1-CZ2 4.39Å; V190-W207 HydrophobicContact CG1-CZ3 4.32Å; V190-W207 HydrophobicContact CG2-CZ3 4.44Å; T192-W207 HydrophobicContact CG2-CD2 4.06Å; T192-W207 HydrophobicContact CG2-CE3 4.39Å; T192-W207 HydrophobicContact CG2-CH2 4.29Å; T192-W207 HydrophobicContact CG2-CZ2 4Å; T192-W207 HydrophobicContact CG2-CZ3 4.49Å; T192-W207 PolarHBondContact N-O 3.07Å; T192-W207 PolarHBondContact OG1-N 3.03Å; T192-W207 PolarHBondContact OG1-O 3.27Å; G205-W207 PolarHBondContact O-N 2.8Å; W207-A229 HydrophobicContact CH2-CB 4.42Å; W207-H240 HydrophobicContact CE3-CB 4.15Å; W207-H240 HydrophobicContact CH2-CB 3.3Å; W207-H240 HydrophobicContact CZ2-CB 4.02Å; W207-H240 HydrophobicContact CZ3-CB 3.36Å; W207-H240 AromaticContact CZ3-CG 3.98Å; W207-G242 VanDerWaalsContact CD1-N 3.32Å |
| 208 | K | 88 | Confident | 91.2 | Very high | 123 Ų | 123 | 81 Ų | 81 | 54% | 0.535 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 147 | 172.8 | 64.7 | 164.5 | -171.9 | 149.4 | 0 | 108.8 | K191 E210 | K191-K208 HydrophobicContact CG-CB 4.32Å; K208-E210 IonicContact NZ-OE1 3.42Å; K208-E210 PolarHBondContact NZ-OE1 3.2Å |
| 209 | Q | 85.3 | Confident | 91.4 | Very high | 77 Ų | 77 | 69.7 Ų | 69.7 | 36% | 0.36 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.8 | 169.4 | 169.7 | 68.4 | 19.1 | 0 | 0 | 107.2 | V190 N211 V212 | V190-Q209 HydrophobicContact CG1-CB 3.61Å; V190-Q209 HydrophobicContact CG1-CG 4.21Å; V190-Q209 PolarHBondContact N-O 2.87Å; V190-Q209 PolarHBondContact O-N 2.81Å; Q209-N211 PolarHBondContact NE2-O 3.14Å; Q209-N211 VanDerWaalsContact NE2-O 3.11Å; Q209-V212 HydrophobicContact CG-CG1 4.18Å |
| 210 | E | 79.9 | Confident | 91.6 | Very high | 118 Ų | 118 | 64.3 Ų | 64.3 | 55% | 0.551 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -68.5 | -75.1 | -178.5 | -66.3 | -179.5 | 178 | 0 | 0 | 107.7 | H189 K208 | H189-E210 WeakPolarHBondContact CA-O 3.45Å; H189-E210 WeakPolarHBondContact CB-O 3.49Å; H189-E210 VanDerWaalsContact ND1-C 3.26Å; H189-E210 PolarHBondContact ND1-O 2.8Å; K208-E210 IonicContact NZ-OE1 3.42Å; K208-E210 PolarHBondContact NZ-OE1 3.2Å |
| 211 | N | 89.7 | Confident | 91.7 | Very high | 107 Ų | 107 | 59.6 Ų | 59.6 | 57% | 0.572 | 31% | 0.305 | S | S | * | . | trans | -92.2 | 129.5 | -174.2 | -57.5 | -33.2 | 0 | 0 | 0 | 113.2 | H189 Q209 | H189-N211 PolarHBondContact CE1-OD1 3.12Å; H189-N211 VanDerWaalsContact CE1-OD1 3.24Å; Q209-N211 PolarHBondContact NE2-O 3.14Å; Q209-N211 VanDerWaalsContact NE2-O 3.11Å | ||
| 212 | V | 92.1 | Very high | 91.7 | Very high | 27 Ų | 27 | 53.3 Ų | 53.3 | 16% | 0.164 | 28% | 0.276 | C | S | . | . | trans | -118.7 | 178.5 | 162.4 | -63.7 | 0 | 0 | 0 | 0 | 109.9 | R188 V190 Q209 A216 | R188-V212 HydrophobicContact CB-CG2 3.99Å; R188-V212 VanDerWaalsContact O-CG2 3.29Å; R188-V212 WeakPolarHBondContact O-CG2 3.37Å; R188-V212 PolarHBondContact O-N 3.48Å; R188-V212 VanDerWaalsContact O-N 3.15Å; V190-V212 HydrophobicContact CB-CG1 4.18Å; V190-V212 HydrophobicContact CG1-CG1 3.61Å; Q209-V212 HydrophobicContact CG-CG1 4.18Å; V212-A216 HydrophobicContact CG2-CB 3.95Å | ||
| 213 | E | 90.1 | Very high | 91.7 | Very high | 42 Ų | 42 | 52.1 Ų | 52.1 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | trans | -55 | 140.4 | 176.7 | -170.3 | -177.2 | 145.6 | 0 | 0 | 111.6 | E215 A216 Q234 E235 S236 | E213-E215 PolarHBondContact O-N 2.98Å; E213-E215 VanDerWaalsContact O-N 3.17Å; E213-A216 WeakPolarHBondContact O-CB 3.22Å; E213-A216 PolarHBondContact O-N 2.89Å; E213-A216 VanDerWaalsContact O-N 3.1Å; E213-Q234 PolarHBondContact OE1-N 3.02Å; E213-E235 PolarHBondContact OE1-N 3.14Å; E213-S236 WeakPolarHBondContact OE2-CA 3.41Å; E213-S236 WeakPolarHBondContact OE2-CB 3.3Å; E213-S236 PolarHBondContact OE2-N 3.15Å; E213-S236 PolarHBondContact OE2-OG 3.49Å | ||
| 214 | A | 89.3 | Confident | 91.4 | Very high | 67 Ų | 67 | 55.5 Ų | 55.5 | 55% | 0.554 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -28.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R188 | R188-A214 WeakPolarHBondContact CD-O 3.38Å; R188-A214 WeakPolarHBondContact CG-O 3.27Å; R188-A214 PolarHBondContact NE-O 3.39Å; R188-A214 PolarHBondContact NH2-O 2.8Å |
| 215 | E | 90.3 | Very high | 91.2 | Very high | 90 Ų | 90 | 50 Ų | 50 | 42% | 0.421 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 21.1 | 179.5 | -61.7 | -51.8 | 143.4 | 0 | 0 | 114.2 | R188 E213 S217 Q234 | R188-E215 IonicContact CZ-OE2 3.34Å; R188-E215 VanDerWaalsContact NH1-CA 3.34Å; R188-E215 PolarHBondContact NH1-O 2.85Å; R188-E215 IonicContact NH1-OE2 2.65Å; R188-E215 IonicContact NH2-OE1 3.28Å; R188-E215 IonicContact NH2-OE2 3.14Å; R188-E215 PolarHBondContact NH2-OE2 2.76Å; E213-E215 PolarHBondContact O-N 2.98Å; E213-E215 VanDerWaalsContact O-N 3.17Å; E215-S217 PolarHBondContact O-N 2.89Å; E215-S217 VanDerWaalsContact O-N 3.11Å; E215-Q234 HydrophobicContact CB-CB 3.93Å |
| 216 | A | 92.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | trans | -56.6 | 115.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I181 R188 V212 E213 I231 | I181-A216 HydrophobicContact CD1-CB 4.18Å; I181-A216 HydrophobicContact CG2-CB 4.33Å; R188-A216 WeakPolarHBondContact CD-O 3.49Å; R188-A216 VanDerWaalsContact NH1-C 3.33Å; R188-A216 PolarHBondContact NH1-O 2.75Å; V212-A216 HydrophobicContact CG2-CB 3.95Å; E213-A216 WeakPolarHBondContact O-CB 3.22Å; E213-A216 PolarHBondContact O-N 2.89Å; E213-A216 VanDerWaalsContact O-N 3.1Å; A216-I231 HydrophobicContact CB-CG2 3.77Å | ||
| 217 | S | 93.1 | Very high | 91.3 | Very high | 34 Ų | 34 | 47.1 Ų | 47.1 | 24% | 0.238 | 25% | 0.249 | C | C | . | . | trans | -113.5 | -31 | -168.3 | 61.5 | 0 | 0 | 0 | 0 | 114.3 | E215 I232 | E215-S217 PolarHBondContact O-N 2.89Å; E215-S217 VanDerWaalsContact O-N 3.11Å; S217-I232 PolarHBondContact N-O 3.47Å; S217-I232 PolarHBondContact OG-O 2.82Å | ||
| 218 | M | 95.1 | Very high | 91.3 | Very high | 18 Ų | 18 | 46 Ų | 46 | 9% | 0.089 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 145.7 | -173 | -67.9 | 175 | -76 | 0 | 0 | 113.1 | I231 I232 I258 | M218-I231 WeakPolarHBondContact O-CA 3.42Å; M218-I232 HydrophobicContact CB-CB 4.36Å; M218-I232 HydrophobicContact CE-CB 4.09Å; M218-I232 HydrophobicContact CE-CD1 4.17Å; M218-I232 HydrophobicContact CE-CG2 3.84Å; M218-I232 PolarHBondContact N-O 3.32Å; M218-I232 PolarHBondContact O-N 3.09Å; M218-I232 VanDerWaalsContact O-N 3.09Å; M218-I258 HydrophobicContact CE-CB 3.97Å; M218-I258 HydrophobicContact CE-CG2 3.73Å; M218-I258 WeakPolarHBondContact CE-O 3.47Å |
| 219 | V | 96.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 117.2 | 172.4 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | D166 H168 C179 I181 P221 A229 I230 I231 | D166-V219 HydrophobicContact CB-CG2 4.3Å; D166-V219 PolarHBondContact OD2-N 2.82Å; H168-V219 HydrophobicContact CB-CG1 4.24Å; H168-V219 PolarHBondContact CE1-O 3.49Å; H168-V219 PolarHBondContact ND1-O 3.07Å; C179-V219 HydrophobicContact CB-CG1 4.4Å; I181-V219 HydrophobicContact CB-CG2 4.5Å; I181-V219 HydrophobicContact CD1-CG2 3.47Å; I181-V219 VanDerWaalsContact CD1-CG2 3.47Å; I181-V219 HydrophobicContact CG1-CG2 3.54Å; V219-P221 WeakPolarHBondContact O-CD 3.5Å; V219-A229 HydrophobicContact CG1-CB 4.08Å; V219-I230 CarbonylContact C-O 3.52Å; V219-I230 WeakPolarHBondContact CA-O 3.48Å; V219-I231 HydrophobicContact CB-CD1 4.31Å; V219-I231 HydrophobicContact CG1-CD1 4.14Å; V219-I231 HydrophobicContact CG2-CD1 3.83Å |
| 220 | I | 97 | Very high | 92.3 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 109.9 | 174.4 | -53.3 | -177.6 | 0 | 0 | 0 | 109.2 | V222 A229 I230 I232 H261 Y271 L273 | I220-V222 PolarHBondContact O-N 3.26Å; I220-A229 CarbonylContact O-C 3.52Å; I220-A229 VanDerWaalsContact O-CA 3.31Å; I220-A229 WeakPolarHBondContact O-CA 3.28Å; I220-I230 HydrophobicContact CB-CB 4.19Å; I220-I230 PolarHBondContact N-O 3.3Å; I220-I230 PolarHBondContact O-N 2.99Å; I220-I232 HydrophobicContact CD1-CD1 3.49Å; I220-I232 VanDerWaalsContact CD1-CD1 3.49Å; I220-I232 HydrophobicContact CD1-CG1 4.33Å; I220-I232 HydrophobicContact CG1-CD1 4.29Å; I220-H261 HydrophobicContact CD1-CB 3.68Å; I220-H261 VanDerWaalsContact CD1-CG 3.47Å; I220-Y271 HydrophobicContact CG2-CD1 4.06Å; I220-Y271 HydrophobicContact CG2-CE1 3.52Å; I220-L273 HydrophobicContact CD1-CD2 4.26Å |
| 221 | P | 96.1 | Very high | 93.1 | Very high | 17 Ų | 17 | 31 Ų | 31 | 11% | 0.11 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 123.4 | 173.7 | 31.1 | -35.8 | 0 | 0 | 0 | 110.1 | H168 F169 Y171 V219 | H168-P221 HydrophobicContact CB-CB 4.33Å; H168-P221 HydrophobicContact CB-CG 3.86Å; F169-P221 WeakPolarHBondContact O-CB 3.35Å; Y171-P221 HydrophobicContact CD2-CB 3.92Å; Y171-P221 HydrophobicContact CE2-CB 3.85Å; Y171-P221 HydrophobicContact CE2-CG 3.96Å; V219-P221 WeakPolarHBondContact O-CD 3.5Å |
| 222 | V | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -90.4 | 127.8 | -178.3 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | I220 F226 G227 G228 I230 Y239 L285 | I220-V222 PolarHBondContact O-N 3.26Å; V222-F226 HydrophobicContact CG1-CB 3.7Å; V222-F226 HydrophobicContact CG1-CD2 4.18Å; V222-F226 HydrophobicContact CG1-CG 4.39Å; V222-G227 CarbonylContact O-C 3.58Å; V222-G227 WeakPolarHBondContact O-CA 3.29Å; V222-G228 PolarHBondContact N-O 3.43Å; V222-I230 HydrophobicContact CG2-CD1 3.68Å; V222-I230 HydrophobicContact CG2-CG1 3.66Å; V222-Y239 HydrophobicContact CB-CE2 4.45Å; V222-Y239 HydrophobicContact CG2-CD2 4.3Å; V222-Y239 HydrophobicContact CG2-CE2 4.06Å; V222-L285 HydrophobicContact CG1-CD2 4.07Å |
| 223 | P | 94.3 | Very high | 93.2 | Very high | 7 Ų | 7 | 24.7 Ų | 24.7 | 5% | 0.045 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -70.8 | 171.8 | -179.8 | 32.2 | -37.7 | 0 | 0 | 0 | 112.7 | Y171 F226 G227 P266 Y271 | Y171-P223 HydrophobicContact CD1-CB 4.21Å; Y171-P223 HydrophobicContact CD2-CB 4.34Å; Y171-P223 HydrophobicContact CE1-CB 4.4Å; Y171-P223 HydrophobicContact CG-CB 4.19Å; P223-F226 PolarHBondContact O-N 3.27Å; P223-G227 PolarHBondContact O-N 2.84Å; P223-P266 VanDerWaalsContact CG-O 3.3Å; P223-P266 WeakPolarHBondContact CG-O 3.23Å; P223-Y271 WeakPolarHBondContact CD-OH 3.42Å |
| 224 | E | 88.9 | Confident | 93.1 | Very high | 135 Ų | 135 | 26.2 Ų | 26.2 | 63% | 0.631 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 140.7 | 165.6 | -67.9 | -176.4 | 176.2 | 0 | 0 | 109.9 | G172 | G172-E224 VanDerWaalsContact CA-OE1 3.25Å; G172-E224 WeakPolarHBondContact CA-OE1 3.47Å |
| 225 | P | 88.6 | Confident | 93 | Very high | 71 Ų | 71 | 27.4 Ų | 27.4 | 46% | 0.461 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -90.6 | -9.9 | 16 | 35.3 | -36.6 | 0 | 0 | 0 | 115.8 | V295 | P225-V295 HydrophobicContact CB-CB 4.27Å; P225-V295 HydrophobicContact CG-CB 4.43Å; P225-V295 HydrophobicContact CG-CG1 4.31Å |
| 226 | F | 90.1 | Very high | 93.2 | Very high | 12 Ų | 12 | 24.4 Ų | 24.4 | 5% | 0.053 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -43.8 | -174.9 | -60.7 | -66.7 | 0 | 0 | 0 | 112.9 | V222 P223 Y239 N241 N267 L285 K287 V295 L297 | V222-F226 HydrophobicContact CG1-CB 3.7Å; V222-F226 HydrophobicContact CG1-CD2 4.18Å; V222-F226 HydrophobicContact CG1-CG 4.39Å; P223-F226 PolarHBondContact O-N 3.27Å; F226-Y239 PolarHBondContact O-OH 3.12Å; F226-N241 PolarHBondContact O-ND2 3.25Å; F226-N267 WeakPolarHBondContact CD2-O 3.24Å; F226-L285 HydrophobicContact CD2-CD2 4.36Å; F226-L285 HydrophobicContact CE2-CB 4.38Å; F226-L285 HydrophobicContact CZ-CB 4.45Å; F226-K287 HydrophobicContact CE1-CB 3.99Å; F226-K287 HydrophobicContact CZ-CB 3.96Å; F226-V295 HydrophobicContact CD1-CG1 4.35Å; F226-V295 HydrophobicContact CE1-CG1 3.98Å; F226-L297 HydrophobicContact CD1-CB 4.2Å; F226-L297 HydrophobicContact CD1-CD1 4.42Å; F226-L297 HydrophobicContact CE1-CD1 4.26Å |
| 227 | G | 91.6 | Very high | 93.3 | Very high | 12 Ų | 12 | 24.3 Ų | 24.3 | 12% | 0.124 | 13% | 0.134 | C | C | . | . | trans | 63.2 | -178 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V222 P223 Y239 | V222-G227 CarbonylContact O-C 3.58Å; V222-G227 WeakPolarHBondContact O-CA 3.29Å; P223-G227 PolarHBondContact O-N 2.84Å; G227-Y239 VanDerWaalsContact O-CE2 3.24Å; G227-Y239 WeakPolarHBondContact O-CE2 3.34Å; G227-Y239 PolarHBondContact O-OH 3.48Å | ||
| 228 | G | 93.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 4% | 0.041 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 82.3 | -163.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | V222 H240 | V222-G228 PolarHBondContact N-O 3.43Å; G228-H240 CarbonylContact C-O 3.53Å; G228-H240 VanDerWaalsContact CA-O 3.28Å; G228-H240 WeakPolarHBondContact CA-O 3.35Å |
| 229 | A | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 143.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L170 W207 V219 I220 H240 | L170-A229 HydrophobicContact CD2-CB 3.94Å; W207-A229 HydrophobicContact CH2-CB 4.42Å; V219-A229 HydrophobicContact CG1-CB 4.08Å; I220-A229 CarbonylContact O-C 3.52Å; I220-A229 VanDerWaalsContact O-CA 3.31Å; I220-A229 WeakPolarHBondContact O-CA 3.28Å; A229-H240 PolarHBondContact N-O 3.24Å; A229-H240 PolarHBondContact O-N 2.79Å |
| 230 | I | 97 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 136.1 | 169.3 | -58.8 | 162.7 | 0 | 0 | 0 | 108.1 | V219 I220 V222 I232 I237 T238 Y239 Y271 L283 L285 | V219-I230 CarbonylContact C-O 3.52Å; V219-I230 WeakPolarHBondContact CA-O 3.48Å; I220-I230 HydrophobicContact CB-CB 4.19Å; I220-I230 PolarHBondContact N-O 3.3Å; I220-I230 PolarHBondContact O-N 2.99Å; V222-I230 HydrophobicContact CG2-CD1 3.68Å; V222-I230 HydrophobicContact CG2-CG1 3.66Å; I230-I232 HydrophobicContact CG2-CG1 4.29Å; I230-I237 HydrophobicContact CG2-CG2 3.45Å; I230-I237 VanDerWaalsContact CG2-CG2 3.45Å; I230-T238 CarbonylContact C-O 3.55Å; I230-T238 VanDerWaalsContact CA-O 3.31Å; I230-T238 WeakPolarHBondContact CA-O 3.48Å; I230-Y239 HydrophobicContact CG1-CD2 3.87Å; I230-Y271 HydrophobicContact CD1-CD2 4.49Å; I230-Y271 HydrophobicContact CD1-CE2 4.19Å; I230-L283 HydrophobicContact CD1-CD2 4.07Å; I230-L283 HydrophobicContact CG2-CD2 4.37Å; I230-L285 HydrophobicContact CD1-CD1 3.95Å; I230-L285 HydrophobicContact CD1-CD2 4.15Å |
| 231 | I | 96.6 | Very high | 93 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120.1 | 175.4 | -51.9 | -59.9 | 0 | 0 | 0 | 107.4 | I181 V190 A216 M218 V219 T238 | I181-I231 HydrophobicContact CD1-CD1 4.2Å; I181-I231 HydrophobicContact CD1-CG2 3.85Å; I181-I231 HydrophobicContact CG1-CD1 4.17Å; I181-I231 HydrophobicContact CG1-CG2 4.39Å; V190-I231 HydrophobicContact CG2-CD1 3.93Å; A216-I231 HydrophobicContact CB-CG2 3.77Å; M218-I231 WeakPolarHBondContact O-CA 3.42Å; V219-I231 HydrophobicContact CB-CD1 4.31Å; V219-I231 HydrophobicContact CG1-CD1 4.14Å; V219-I231 HydrophobicContact CG2-CD1 3.83Å; I231-T238 PolarHBondContact N-O 2.82Å; I231-T238 PolarHBondContact O-N 3.01Å |
| 232 | I | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 123 | 177.3 | -60.6 | 178.2 | 0 | 0 | 0 | 108.3 | S217 M218 I220 I230 I237 I258 L273 | S217-I232 PolarHBondContact N-O 3.47Å; S217-I232 PolarHBondContact OG-O 2.82Å; M218-I232 HydrophobicContact CB-CB 4.36Å; M218-I232 HydrophobicContact CE-CB 4.09Å; M218-I232 HydrophobicContact CE-CD1 4.17Å; M218-I232 HydrophobicContact CE-CG2 3.84Å; M218-I232 PolarHBondContact N-O 3.32Å; M218-I232 PolarHBondContact O-N 3.09Å; M218-I232 VanDerWaalsContact O-N 3.09Å; I220-I232 HydrophobicContact CD1-CD1 3.49Å; I220-I232 VanDerWaalsContact CD1-CD1 3.49Å; I220-I232 HydrophobicContact CD1-CG1 4.33Å; I220-I232 HydrophobicContact CG1-CD1 4.29Å; I230-I232 HydrophobicContact CG2-CG1 4.29Å; I232-I237 HydrophobicContact CG1-CG1 4.49Å; I232-I237 HydrophobicContact CG1-CG2 4.46Å; I232-I258 HydrophobicContact CG2-CB 4.09Å; I232-I258 HydrophobicContact CG2-CD1 3.96Å; I232-I258 HydrophobicContact CG2-CG1 4.49Å; I232-I258 HydrophobicContact CG2-CG2 4.45Å; I232-L273 HydrophobicContact CD1-CD1 4.24Å; I232-L273 HydrophobicContact CD1-CD2 3.54Å |
| 233 | G | 90.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | trans | -107 | -166.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S236 | G233-S236 WeakPolarHBondContact CA-O 3.04Å; G233-S236 PolarHBondContact N-O 3.19Å | ||
| 234 | Q | 87.3 | Confident | 91.8 | Very high | 73 Ų | 73 | 37.7 Ų | 37.7 | 34% | 0.341 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -82.5 | -36.3 | 178.7 | -170.8 | 177.6 | 7.4 | 0 | 0 | 111.4 | E213 E215 I253 | E213-Q234 PolarHBondContact OE1-N 3.02Å; E215-Q234 HydrophobicContact CB-CB 3.93Å; Q234-I253 CarbonylContact O-C 3.51Å |
| 235 | E | 87.4 | Confident | 92 | Very high | 92 Ų | 92 | 37.3 Ų | 37.3 | 43% | 0.43 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -109.2 | -23.1 | -178 | -60.3 | -165.7 | 153.2 | 0 | 0 | 113.7 | E213 A249 I253 K254 | E213-E235 PolarHBondContact OE1-N 3.14Å; E235-A249 WeakPolarHBondContact O-CA 3.27Å; E235-A249 WeakPolarHBondContact O-CB 3.2Å; E235-I253 VanDerWaalsContact C-CD1 3.49Å; E235-I253 WeakPolarHBondContact O-CD1 3.44Å; E235-K254 HydrophobicContact CG-CD 4.46Å; E235-K254 HydrophobicContact CG-CG 4.36Å; E235-K254 VanDerWaalsContact OE1-CE 3.32Å; E235-K254 WeakPolarHBondContact OE1-CE 3.24Å; E235-K254 IonicContact OE1-NZ 2.74Å; E235-K254 PolarHBondContact OE1-NZ 3.3Å |
| 236 | S | 93 | Very high | 92.2 | Very high | 27 Ų | 27 | 35.7 Ų | 35.7 | 19% | 0.189 | 19% | 0.188 | C | C | . | . | trans | -137.1 | 152.5 | -175.1 | 75.7 | 0 | 0 | 0 | 0 | 113.9 | E213 G233 I248 | E213-S236 WeakPolarHBondContact OE2-CA 3.41Å; E213-S236 WeakPolarHBondContact OE2-CB 3.3Å; E213-S236 PolarHBondContact OE2-N 3.15Å; E213-S236 PolarHBondContact OE2-OG 3.49Å; G233-S236 WeakPolarHBondContact CA-O 3.04Å; G233-S236 PolarHBondContact N-O 3.19Å; S236-I248 CarbonylContact C-O 3.59Å; S236-I248 VanDerWaalsContact CA-O 3.28Å; S236-I248 WeakPolarHBondContact CA-O 3.4Å; S236-I248 WeakPolarHBondContact CB-O 3.3Å | ||
| 237 | I | 96 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 127.7 | 171.1 | -59.6 | 176.7 | 0 | 0 | 0 | 107.3 | I230 I232 A247 I248 I253 L273 L283 L300 V302 | I230-I237 HydrophobicContact CG2-CG2 3.45Å; I230-I237 VanDerWaalsContact CG2-CG2 3.45Å; I232-I237 HydrophobicContact CG1-CG1 4.49Å; I232-I237 HydrophobicContact CG1-CG2 4.46Å; I237-A247 WeakPolarHBondContact O-CA 3.49Å; I237-I248 HydrophobicContact CB-CD1 4.39Å; I237-I248 HydrophobicContact CB-CG1 3.98Å; I237-I248 PolarHBondContact N-O 3.36Å; I237-I248 PolarHBondContact O-N 3.08Å; I237-I253 HydrophobicContact CD1-CD1 4.47Å; I237-I253 HydrophobicContact CG1-CD1 4.1Å; I237-L273 HydrophobicContact CD1-CD1 3.96Å; I237-L283 HydrophobicContact CD1-CD1 4.42Å; I237-L283 HydrophobicContact CG2-CD2 4.35Å; I237-L300 HydrophobicContact CG2-CD1 4.42Å; I237-V302 HydrophobicContact CD1-CG2 3.91Å |
| 238 | T | 95.5 | Very high | 92.5 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 6% | 0.055 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 142.4 | -178.2 | 64.9 | 0 | 0 | 0 | 0 | 111.6 | I230 I231 H240 Y245 L246 A247 | I230-T238 CarbonylContact C-O 3.55Å; I230-T238 VanDerWaalsContact CA-O 3.31Å; I230-T238 WeakPolarHBondContact CA-O 3.48Å; I231-T238 PolarHBondContact N-O 2.82Å; I231-T238 PolarHBondContact O-N 3.01Å; T238-H240 PolarHBondContact OG1-NE2 2.81Å; T238-Y245 HydrophobicContact CG2-CE2 4.12Å; T238-L246 CarbonylContact C-O 3.6Å; T238-L246 WeakPolarHBondContact CA-O 3.26Å; T238-A247 HydrophobicContact CG2-CB 3.81Å |
| 239 | Y | 96 | Very high | 92.5 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 136.9 | 175.2 | 168.8 | -93.6 | 0 | 0 | 0 | 110.1 | V222 F226 G227 I230 N241 K244 Y245 L246 L297 | V222-Y239 HydrophobicContact CB-CE2 4.45Å; V222-Y239 HydrophobicContact CG2-CD2 4.3Å; V222-Y239 HydrophobicContact CG2-CE2 4.06Å; F226-Y239 PolarHBondContact O-OH 3.12Å; G227-Y239 VanDerWaalsContact O-CE2 3.24Å; G227-Y239 WeakPolarHBondContact O-CE2 3.34Å; G227-Y239 PolarHBondContact O-OH 3.48Å; I230-Y239 HydrophobicContact CG1-CD2 3.87Å; Y239-N241 HydrophobicContact CE1-CB 3.72Å; Y239-N241 VanDerWaalsContact OH-CB 3.25Å; Y239-N241 WeakPolarHBondContact OH-CB 3.33Å; Y239-N241 PolarHBondContact OH-ND2 3.5Å; Y239-K244 HydrophobicContact CE1-CG 4.39Å; Y239-Y245 WeakPolarHBondContact O-CA 3.22Å; Y239-L246 PolarHBondContact N-O 2.92Å; Y239-L246 PolarHBondContact O-N 2.75Å; Y239-L246 VanDerWaalsContact O-N 3.09Å; Y239-L297 HydrophobicContact CD1-CD2 3.57Å; Y239-L297 HydrophobicContact CD2-CD2 3.86Å; Y239-L297 HydrophobicContact CE1-CB 4.38Å; Y239-L297 HydrophobicContact CE1-CD2 3.8Å; Y239-L297 HydrophobicContact CE2-CD2 4.08Å; Y239-L297 HydrophobicContact CG-CD2 3.58Å |
| 240 | H | 93.9 | Very high | 92.3 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 3% | 0.032 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 126 | -177.2 | -58.3 | -101 | 0 | 0 | 0 | 110.7 | W207 G228 A229 T238 K244 Y245 | W207-H240 HydrophobicContact CE3-CB 4.15Å; W207-H240 HydrophobicContact CH2-CB 3.3Å; W207-H240 HydrophobicContact CZ2-CB 4.02Å; W207-H240 HydrophobicContact CZ3-CB 3.36Å; W207-H240 AromaticContact CZ3-CG 3.98Å; G228-H240 CarbonylContact C-O 3.53Å; G228-H240 VanDerWaalsContact CA-O 3.28Å; G228-H240 WeakPolarHBondContact CA-O 3.35Å; A229-H240 PolarHBondContact N-O 3.24Å; A229-H240 PolarHBondContact O-N 2.79Å; T238-H240 PolarHBondContact OG1-NE2 2.81Å; H240-K244 WeakPolarHBondContact CA-O 3.44Å; H240-Y245 AromaticContact CE1-CD2 3.4Å; H240-Y245 VanDerWaalsContact CE1-CD2 3.4Å; H240-Y245 WeakPolarHBondContact CE1-CD2 3.19Å; H240-Y245 AromaticContact CE1-CE2 3.37Å; H240-Y245 WeakPolarHBondContact CE1-CE2 3.22Å; H240-Y245 AromaticContact ND1-CD2 3.63Å; H240-Y245 AromaticContact NE2-CE2 3.8Å |
| 241 | N | 90.9 | Very high | 91.7 | Very high | 60 Ų | 60 | 48 Ų | 48 | 32% | 0.321 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 88.5 | 172.5 | -171.6 | 10.2 | 0 | 0 | 0 | 110.6 | F226 Y239 D243 K244 | F226-N241 PolarHBondContact O-ND2 3.25Å; Y239-N241 HydrophobicContact CE1-CB 3.72Å; Y239-N241 VanDerWaalsContact OH-CB 3.25Å; Y239-N241 WeakPolarHBondContact OH-CB 3.33Å; Y239-N241 PolarHBondContact OH-ND2 3.5Å; N241-D243 PolarHBondContact O-N 2.71Å; N241-D243 VanDerWaalsContact O-N 3.16Å; N241-K244 PolarHBondContact N-O 3.32Å; N241-K244 PolarHBondContact O-N 3.38Å; N241-K244 VanDerWaalsContact O-N 3.11Å |
| 242 | G | 86.9 | Confident | 91.2 | Very high | 37 Ų | 37 | 50.3 Ų | 50.3 | 38% | 0.381 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | -114.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111 | W207 | W207-G242 VanDerWaalsContact CD1-N 3.32Š|
| 243 | D | 84.2 | Confident | 90.8 | Very high | 174 Ų | 174 | 50.4 Ų | 50.4 | 93% | 0.93 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -11 | 179 | -61.8 | -38.8 | 0 | 0 | 0 | 113.2 | N241 | N241-D243 PolarHBondContact O-N 2.71Å; N241-D243 VanDerWaalsContact O-N 3.16Å |
| 244 | K | 88.8 | Confident | 90.5 | Very high | 71 Ų | 71 | 56.2 Ų | 56.2 | 31% | 0.309 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 122.7 | -177.7 | -168.6 | 162.2 | -173.4 | 160.7 | 0 | 110.9 | Y239 H240 N241 L297 | Y239-K244 HydrophobicContact CE1-CG 4.39Å; H240-K244 WeakPolarHBondContact CA-O 3.44Å; N241-K244 PolarHBondContact N-O 3.32Å; N241-K244 PolarHBondContact O-N 3.38Å; N241-K244 VanDerWaalsContact O-N 3.11Å; K244-L297 WeakPolarHBondContact CE-O 3.44Å; K244-L297 PolarHBondContact NZ-O 2.98Å |
| 245 | Y | 92.8 | Very high | 90.3 | Very high | 127 Ų | 127 | 58 Ų | 58 | 50% | 0.498 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 129.8 | 178.8 | 175 | -102.9 | 0 | 0 | 0 | 110.6 | T238 Y239 H240 A247 | T238-Y245 HydrophobicContact CG2-CE2 4.12Å; Y239-Y245 WeakPolarHBondContact O-CA 3.22Å; H240-Y245 AromaticContact CE1-CD2 3.4Å; H240-Y245 VanDerWaalsContact CE1-CD2 3.4Å; H240-Y245 WeakPolarHBondContact CE1-CD2 3.19Å; H240-Y245 AromaticContact CE1-CE2 3.37Å; H240-Y245 WeakPolarHBondContact CE1-CE2 3.22Å; H240-Y245 AromaticContact ND1-CD2 3.63Å; H240-Y245 AromaticContact NE2-CE2 3.8Å; Y245-A247 HydrophobicContact CE1-CB 3.95Å |
| 246 | L | 93.8 | Very high | 90.3 | Very high | 37 Ų | 37 | 53.9 Ų | 53.9 | 19% | 0.194 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 146.9 | 171.5 | -66.8 | 173.5 | 0 | 0 | 0 | 109.2 | T238 Y239 L297 L300 | T238-L246 CarbonylContact C-O 3.6Å; T238-L246 WeakPolarHBondContact CA-O 3.26Å; Y239-L246 PolarHBondContact N-O 2.92Å; Y239-L246 PolarHBondContact O-N 2.75Å; Y239-L246 VanDerWaalsContact O-N 3.09Å; L246-L297 HydrophobicContact CD1-CB 4.43Å; L246-L297 HydrophobicContact CD1-CD2 3.82Å; L246-L297 HydrophobicContact CD1-CG 3.81Å; L246-L300 HydrophobicContact CB-CD1 4.5Å |
| 247 | A | 93.8 | Very high | 90.2 | Very high | 53 Ų | 53 | 55.2 Ų | 55.2 | 44% | 0.438 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 134.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | I237 T238 Y245 | I237-A247 WeakPolarHBondContact O-CA 3.49Å; T238-A247 HydrophobicContact CG2-CB 3.81Å; Y245-A247 HydrophobicContact CE1-CB 3.95Å |
| 248 | I | 94.6 | Very high | 90.2 | Very high | 27 Ų | 27 | 55.3 Ų | 55.3 | 14% | 0.138 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 148.9 | 172.5 | 57.9 | 164.6 | 0 | 0 | 0 | 109.4 | S236 I237 P250 L283 L300 V302 | S236-I248 CarbonylContact C-O 3.59Å; S236-I248 VanDerWaalsContact CA-O 3.28Å; S236-I248 WeakPolarHBondContact CA-O 3.4Å; S236-I248 WeakPolarHBondContact CB-O 3.3Å; I237-I248 HydrophobicContact CB-CD1 4.39Å; I237-I248 HydrophobicContact CB-CG1 3.98Å; I237-I248 PolarHBondContact N-O 3.36Å; I237-I248 PolarHBondContact O-N 3.08Å; I248-P250 HydrophobicContact CD1-CG 4.06Å; I248-P250 HydrophobicContact CG1-CG 4.49Å; I248-L283 HydrophobicContact CD1-CD1 4.35Å; I248-L300 HydrophobicContact CD1-CB 3.6Å; I248-L300 HydrophobicContact CG1-CB 4.03Å; I248-L300 HydrophobicContact CG1-CD1 4.33Å; I248-L300 HydrophobicContact CG2-CB 4.01Å; I248-V302 HydrophobicContact CD1-CG2 3.67Å |
| 249 | A | 92.6 | Very high | 90.2 | Very high | 72 Ų | 72 | 57.7 Ų | 57.7 | 60% | 0.595 | 33% | 0.326 | S | S | * | . | trans | -133.4 | 75.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | E235 | E235-A249 WeakPolarHBondContact O-CA 3.27Å; E235-A249 WeakPolarHBondContact O-CB 3.2Å | ||
| 250 | P | 90.9 | Very high | 90.1 | Very high | 21 Ų | 21 | 58 Ų | 58 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | trans | -61.7 | 131.3 | 177.3 | -20.5 | 32.4 | 0 | 0 | 0 | 111.4 | I248 T252 I253 V302 | I248-P250 HydrophobicContact CD1-CG 4.06Å; I248-P250 HydrophobicContact CG1-CG 4.49Å; P250-T252 PolarHBondContact O-N 3.4Å; P250-I253 HydrophobicContact CB-CG1 4.31Å; P250-I253 HydrophobicContact CB-CG2 4.47Å; P250-I253 HydrophobicContact CG-CG1 4.49Å; P250-I253 WeakPolarHBondContact O-CG1 3.24Å; P250-I253 PolarHBondContact O-N 3.31Å; P250-V302 HydrophobicContact CB-CB 4.43Å; P250-V302 HydrophobicContact CG-CB 3.86Å; P250-V302 HydrophobicContact CG-CG2 3.92Å | ||
| 251 | P | 85.6 | Confident | 90.2 | Very high | 112 Ų | 112 | 60.3 Ų | 60.3 | 73% | 0.727 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -22.1 | 178 | -25.4 | 34.4 | 0 | 0 | 0 | 114.3 | ||
| 252 | T | 84.9 | Confident | 90.5 | Very high | 53 Ų | 53 | 58.9 Ų | 58.9 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -32.3 | -179.3 | 48 | 0 | 0 | 0 | 0 | 113.4 | P250 | P250-T252 PolarHBondContact O-N 3.4Š|
| 253 | I | 87.4 | Confident | 91 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -77.9 | -23.1 | -178.3 | 62.1 | 161.9 | 0 | 0 | 0 | 112.4 | Q234 E235 I237 P250 Q255 S256 I258 V302 | Q234-I253 CarbonylContact O-C 3.51Å; E235-I253 VanDerWaalsContact C-CD1 3.49Å; E235-I253 WeakPolarHBondContact O-CD1 3.44Å; I237-I253 HydrophobicContact CD1-CD1 4.47Å; I237-I253 HydrophobicContact CG1-CD1 4.1Å; P250-I253 HydrophobicContact CB-CG1 4.31Å; P250-I253 HydrophobicContact CB-CG2 4.47Å; P250-I253 HydrophobicContact CG-CG1 4.49Å; P250-I253 WeakPolarHBondContact O-CG1 3.24Å; P250-I253 PolarHBondContact O-N 3.31Å; I253-Q255 PolarHBondContact O-N 3.25Å; I253-Q255 VanDerWaalsContact O-N 3.12Å; I253-S256 PolarHBondContact O-N 3.04Å; I253-I258 HydrophobicContact CB-CD1 4.45Å; I253-I258 HydrophobicContact CG2-CD1 4.07Å; I253-V302 HydrophobicContact CG2-CG1 4.33Å |
| 254 | K | 84.4 | Confident | 91.5 | Very high | 123 Ų | 123 | 53.6 Ų | 53.6 | 54% | 0.535 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -63 | -20.7 | 178.2 | 179.7 | 166.4 | 176.3 | 138.3 | 0 | 113.6 | E235 | E235-K254 HydrophobicContact CG-CD 4.46Å; E235-K254 HydrophobicContact CG-CG 4.36Å; E235-K254 VanDerWaalsContact OE1-CE 3.32Å; E235-K254 WeakPolarHBondContact OE1-CE 3.24Å; E235-K254 IonicContact OE1-NZ 2.74Å; E235-K254 PolarHBondContact OE1-NZ 3.3Å |
| 255 | Q | 81.9 | Confident | 91.7 | Very high | 110 Ų | 110 | 51.9 Ų | 51.9 | 51% | 0.514 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -76.3 | -28.5 | -175 | -63.5 | -174.1 | -4.6 | 0 | 0 | 113.3 | I253 R279 | I253-Q255 PolarHBondContact O-N 3.25Å; I253-Q255 VanDerWaalsContact O-N 3.12Å; Q255-R279 VanDerWaalsContact OE1-CZ 3.23Å |
| 256 | S | 88.5 | Confident | 91.6 | Very high | 7 Ų | 7 | 51 Ų | 51 | 5% | 0.049 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -154.2 | 146 | -178 | -169.1 | 0 | 0 | 0 | 0 | 110.8 | I253 D275 E277 | I253-S256 PolarHBondContact O-N 3.04Å; S256-D275 WeakPolarHBondContact CB-OD2 2.98Å; S256-E277 PolarHBondContact OG-N 3.19Å |
| 257 | T | 91.4 | Very high | 91.3 | Very high | 54 Ų | 54 | 52.3 Ų | 52.3 | 33% | 0.331 | 30% | 0.3 | S | S | . | . | trans | -73.5 | 130.1 | -178.7 | -54.5 | 0 | 0 | 0 | 0 | 111 | D275 M276 | T257-D275 VanDerWaalsContact O-CA 3.31Å; T257-D275 WeakPolarHBondContact O-CA 3.37Å; T257-D275 WeakPolarHBondContact O-CB 3.24Å; T257-M276 PolarHBondContact O-N 3.2Å; T257-M276 VanDerWaalsContact O-N 3.08Å | ||
| 258 | I | 95.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 131.4 | 172 | -53.1 | 177.8 | 0 | 0 | 0 | 108.7 | M218 I232 I253 L273 G274 | M218-I258 HydrophobicContact CE-CB 3.97Å; M218-I258 HydrophobicContact CE-CG2 3.73Å; M218-I258 WeakPolarHBondContact CE-O 3.47Å; I232-I258 HydrophobicContact CG2-CB 4.09Å; I232-I258 HydrophobicContact CG2-CD1 3.96Å; I232-I258 HydrophobicContact CG2-CG1 4.49Å; I232-I258 HydrophobicContact CG2-CG2 4.45Å; I253-I258 HydrophobicContact CB-CD1 4.45Å; I253-I258 HydrophobicContact CG2-CD1 4.07Å; I258-L273 HydrophobicContact CD1-CB 4.34Å; I258-L273 HydrophobicContact CD1-CD1 3.92Å; I258-L273 HydrophobicContact CG2-CB 3.82Å; I258-G274 WeakPolarHBondContact CA-O 3.47Å; I258-G274 WeakPolarHBondContact CG2-O 3.26Å |
| 259 | V | 94.8 | Very high | 91.1 | Very high | 59 Ų | 59 | 49.6 Ų | 49.6 | 36% | 0.358 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | -20.8 | -172.8 | -68.8 | 0 | 0 | 0 | 0 | 114.7 | G274 M276 A311 | V259-G274 PolarHBondContact N-O 2.9Å; V259-M276 HydrophobicContact CG1-CG 3.54Å; V259-M276 HydrophobicContact CG1-SD 3.61Å; V259-M276 HydrophobicContact CG2-SD 4.37Å; V259-A311 WeakPolarHBondContact CG2-O 3.23Å |
| 260 | C | 95.3 | Very high | 91.2 | Very high | 10 Ų | 10 | 50.7 Ų | 50.7 | 7% | 0.068 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 158.3 | 178.1 | 62.9 | 0 | 0 | 0 | 0 | 111.7 | G274 A311 E312 L314 | C260-G274 PolarHBondContact N-O 2.9Å; C260-G274 PolarHBondContact O-N 2.69Å; C260-A311 PolarHBondContact SG-O 3.22Å; C260-E312 WeakPolarHBondContact CB-O 3.45Å; C260-L314 VanDerWaalsContact SG-CD1 3.59Å |
| 261 | H | 96.3 | Very high | 91.5 | Very high | 54 Ų | 54 | 49.8 Ų | 49.8 | 25% | 0.25 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 158.3 | 178.3 | 67.4 | 81.4 | 0 | 0 | 0 | 111.7 | I220 L272 L273 | I220-H261 HydrophobicContact CD1-CB 3.68Å; I220-H261 VanDerWaalsContact CD1-CG 3.47Å; H261-L272 CarbonylContact C-O 3.55Å; H261-L272 WeakPolarHBondContact CA-O 3.45Å; H261-L273 HydrophobicContact CB-CD2 3.72Å |
| 262 | N | 97.3 | Very high | 92.1 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 16% | 0.16 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 143.1 | 170.1 | -168.4 | -104.2 | 0 | 0 | 0 | 111.7 | Y271 L272 L314 Y316 | N262-Y271 CarbonylContact O-C 3.59Å; N262-Y271 WeakPolarHBondContact O-CA 3.29Å; N262-L272 PolarHBondContact N-O 2.68Å; N262-L272 PolarHBondContact O-N 3.48Å; N262-L314 HydrophobicContact CB-CB 3.94Å; N262-L314 VanDerWaalsContact CB-O 3.31Å; N262-L314 WeakPolarHBondContact CB-O 3.26Å; N262-L314 PolarHBondContact ND2-O 3.05Å; N262-L314 VanDerWaalsContact ND2-O 3.09Å; N262-Y316 WeakPolarHBondContact OD1-CB 3.38Å; N262-Y316 PolarHBondContact OD1-N 3.47Å |
| 263 | R | 95.9 | Very high | 92.7 | Very high | 89 Ų | 89 | 41.9 Ų | 41.9 | 34% | 0.336 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 122.2 | 177.1 | -177.6 | 176.5 | 66.4 | -160.4 | -2.4 | 109.6 | Y171 D265 Y271 | Y171-R263 PolarHBondContact OH-NH1 3.45Å; R263-D265 WeakPolarHBondContact CD-O 3.33Å; R263-D265 WeakPolarHBondContact CG-O 3.14Å; R263-Y271 HydrophobicContact CB-CD1 3.97Å; R263-Y271 HydrophobicContact CB-CE1 3.72Å; R263-Y271 HydrophobicContact CG-CD1 4.31Å; R263-Y271 HydrophobicContact CG-CE1 3.83Å |
| 264 | V | 94.9 | Very high | 93.1 | Very high | 12 Ų | 12 | 41.9 Ų | 41.9 | 7% | 0.073 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -82.5 | -53.3 | 177.4 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | R270 L272 M282 Y316 | V264-R270 HydrophobicContact CB-CB 4.01Å; V264-R270 HydrophobicContact CG2-CB 4.48Å; V264-R270 PolarHBondContact N-O 2.78Å; V264-L272 HydrophobicContact CG2-CD1 3.86Å; V264-L272 HydrophobicContact CG2-CD2 4.4Å; V264-L272 HydrophobicContact CG2-CG 3.59Å; V264-M282 HydrophobicContact CG2-CE 4.37Å; V264-M282 HydrophobicContact CG2-SD 4.34Å; V264-Y316 HydrophobicContact CB-CG 4.4Å; V264-Y316 HydrophobicContact CG1-CD1 4.16Å; V264-Y316 HydrophobicContact CG1-CD2 3.84Å; V264-Y316 HydrophobicContact CG1-CE1 4.18Å; V264-Y316 HydrophobicContact CG1-CE2 3.84Å; V264-Y316 HydrophobicContact CG1-CG 4.01Å; V264-Y316 HydrophobicContact CG2-CD2 4.27Å; V264-Y316 HydrophobicContact CG2-CG 4.35Å |
| 265 | D | 93.1 | Very high | 93.6 | Very high | 34 Ų | 34 | 36 Ų | 36 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -96.3 | 133.9 | -178.8 | -64.3 | -42 | 0 | 0 | 0 | 111.2 | R263 N267 G268 R270 | R263-D265 WeakPolarHBondContact CD-O 3.33Å; R263-D265 WeakPolarHBondContact CG-O 3.14Å; D265-N267 WeakPolarHBondContact CB-OD1 3.19Å; D265-N267 PolarHBondContact O-N 3.41Å; D265-G268 PolarHBondContact O-N 3.3Å; D265-R270 IonicContact OD1-CZ 2.77Å; D265-R270 IonicContact OD1-NE 3.77Å; D265-R270 PolarHBondContact OD1-NE 3.46Å; D265-R270 IonicContact OD1-NH2 2.81Å; D265-R270 PolarHBondContact OD1-NH2 3.02Å; D265-R270 WeakPolarHBondContact OD2-CB 3.3Å; D265-R270 WeakPolarHBondContact OD2-CG 3.38Å; D265-R270 IonicContact OD2-CZ 2.72Å; D265-R270 IonicContact OD2-NE 3.29Å; D265-R270 PolarHBondContact OD2-NE 3.24Å; D265-R270 IonicContact OD2-NH2 3.97Å; D265-R270 PolarHBondContact OD2-NH2 3.22Å |
| 266 | P | 90.3 | Very high | 94 | Very high | 108 Ų | 108 | 34.6 Ų | 34.6 | 70% | 0.701 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -26.4 | 178.6 | -27.8 | 35 | 0 | 0 | 0 | 114.7 | P223 G268 | P223-P266 VanDerWaalsContact CG-O 3.3Å; P223-P266 WeakPolarHBondContact CG-O 3.23Å; P266-G268 VanDerWaalsContact C-N 3.34Å |
| 267 | N | 88.7 | Confident | 94.1 | Very high | 66 Ų | 66 | 35.3 Ų | 35.3 | 35% | 0.353 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -1.5 | 178.8 | 70.9 | -3.9 | 0 | 0 | 0 | 114.2 | F226 D265 S269 | F226-N267 WeakPolarHBondContact CD2-O 3.24Å; D265-N267 WeakPolarHBondContact CB-OD1 3.19Å; D265-N267 PolarHBondContact O-N 3.41Å; N267-S269 PolarHBondContact ND2-OG 2.87Å; N267-S269 WeakPolarHBondContact OD1-CB 3.48Å; N267-S269 PolarHBondContact OD1-N 3.41Å; N267-S269 PolarHBondContact OD1-OG 2.84Å |
| 268 | G | 90.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 77.5 | 22.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | D265 P266 Y271 | D265-G268 PolarHBondContact O-N 3.3Å; P266-G268 VanDerWaalsContact C-N 3.34Å; G268-Y271 WeakPolarHBondContact O-CE2 3.2Å |
| 269 | S | 92.7 | Very high | 94.1 | Very high | 23 Ų | 23 | 35 Ų | 35 | 16% | 0.161 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -75.8 | -31.3 | 178.7 | -55.1 | 0 | 0 | 0 | 0 | 113.4 | N267 L284 L285 | N267-S269 PolarHBondContact ND2-OG 2.87Å; N267-S269 WeakPolarHBondContact OD1-CB 3.48Å; N267-S269 PolarHBondContact OD1-N 3.41Å; N267-S269 PolarHBondContact OD1-OG 2.84Å; S269-L284 WeakPolarHBondContact O-CA 3.32Å; S269-L285 PolarHBondContact O-N 3.29Å |
| 270 | R | 95.6 | Very high | 94.2 | Very high | 94 Ų | 94 | 32.1 Ų | 32.1 | 36% | 0.355 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 135.9 | -175.6 | -68.4 | -176.9 | -63.5 | 164 | 5.4 | 111 | V264 D265 M282 L283 L284 | V264-R270 HydrophobicContact CB-CB 4.01Å; V264-R270 HydrophobicContact CG2-CB 4.48Å; V264-R270 PolarHBondContact N-O 2.78Å; D265-R270 IonicContact OD1-CZ 2.77Å; D265-R270 IonicContact OD1-NE 3.77Å; D265-R270 PolarHBondContact OD1-NE 3.46Å; D265-R270 IonicContact OD1-NH2 2.81Å; D265-R270 PolarHBondContact OD1-NH2 3.02Å; D265-R270 WeakPolarHBondContact OD2-CB 3.3Å; D265-R270 WeakPolarHBondContact OD2-CG 3.38Å; D265-R270 IonicContact OD2-CZ 2.72Å; D265-R270 IonicContact OD2-NE 3.29Å; D265-R270 PolarHBondContact OD2-NE 3.24Å; D265-R270 IonicContact OD2-NH2 3.97Å; D265-R270 PolarHBondContact OD2-NH2 3.22Å; R270-M282 HydrophobicContact CB-SD 3.84Å; R270-M282 HydrophobicContact CG-SD 4.35Å; R270-L283 WeakPolarHBondContact CA-O 3.49Å; R270-L284 HydrophobicContact CG-CD2 4.35Å |
| 271 | Y | 97.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 140.5 | 177.3 | -68.5 | -91.6 | 0 | 0 | 0 | 110.6 | I220 P223 I230 N262 R263 G268 M282 L283 L285 | I220-Y271 HydrophobicContact CG2-CD1 4.06Å; I220-Y271 HydrophobicContact CG2-CE1 3.52Å; P223-Y271 WeakPolarHBondContact CD-OH 3.42Å; I230-Y271 HydrophobicContact CD1-CD2 4.49Å; I230-Y271 HydrophobicContact CD1-CE2 4.19Å; N262-Y271 CarbonylContact O-C 3.59Å; N262-Y271 WeakPolarHBondContact O-CA 3.29Å; R263-Y271 HydrophobicContact CB-CD1 3.97Å; R263-Y271 HydrophobicContact CB-CE1 3.72Å; R263-Y271 HydrophobicContact CG-CD1 4.31Å; R263-Y271 HydrophobicContact CG-CE1 3.83Å; G268-Y271 WeakPolarHBondContact O-CE2 3.2Å; Y271-M282 CarbonylContact O-C 3.58Å; Y271-M282 WeakPolarHBondContact O-CA 3.15Å; Y271-M282 VanDerWaalsContact O-SD 3.38Å; Y271-L283 PolarHBondContact N-O 2.72Å; Y271-L283 PolarHBondContact O-N 2.86Å; Y271-L285 HydrophobicContact CD2-CD1 3.93Å; Y271-L285 HydrophobicContact CE2-CD1 4.04Å; Y271-L285 HydrophobicContact CE2-CD2 4.41Å |
| 272 | L | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 138 | 168.7 | -67.6 | 168.4 | 0 | 0 | 0 | 109.3 | H261 N262 V264 L280 F281 M282 L305 L314 V322 L336 | H261-L272 CarbonylContact C-O 3.55Å; H261-L272 WeakPolarHBondContact CA-O 3.45Å; N262-L272 PolarHBondContact N-O 2.68Å; N262-L272 PolarHBondContact O-N 3.48Å; V264-L272 HydrophobicContact CG2-CD1 3.86Å; V264-L272 HydrophobicContact CG2-CD2 4.4Å; V264-L272 HydrophobicContact CG2-CG 3.59Å; L272-L280 HydrophobicContact CB-CD1 4.37Å; L272-L280 HydrophobicContact CD2-CD1 4.27Å; L272-L280 HydrophobicContact CD2-CD2 4.41Å; L272-L280 HydrophobicContact CD2-CG 4.37Å; L272-F281 WeakPolarHBondContact CA-O 3.11Å; L272-M282 HydrophobicContact CD2-CE 3.55Å; L272-M282 HydrophobicContact CD2-SD 4.12Å; L272-M282 HydrophobicContact CG-CE 4.39Å; L272-L305 HydrophobicContact CD2-CD1 3.69Å; L272-L314 HydrophobicContact CB-CD1 4.39Å; L272-V322 HydrophobicContact CD1-CB 4.45Å; L272-V322 HydrophobicContact CD1-CG1 3.94Å; L272-V322 HydrophobicContact CD1-CG2 3.57Å; L272-L336 HydrophobicContact CD2-CD1 4.07Å |
| 273 | L | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132 | 175.5 | -51.4 | 178.3 | 0 | 0 | 0 | 109 | I220 I232 I237 I258 H261 F281 L283 | I220-L273 HydrophobicContact CD1-CD2 4.26Å; I232-L273 HydrophobicContact CD1-CD1 4.24Å; I232-L273 HydrophobicContact CD1-CD2 3.54Å; I237-L273 HydrophobicContact CD1-CD1 3.96Å; I258-L273 HydrophobicContact CD1-CB 4.34Å; I258-L273 HydrophobicContact CD1-CD1 3.92Å; I258-L273 HydrophobicContact CG2-CB 3.82Å; H261-L273 HydrophobicContact CB-CD2 3.72Å; L273-F281 HydrophobicContact CB-CB 4.24Å; L273-F281 PolarHBondContact N-O 3.43Å; L273-F281 PolarHBondContact O-N 2.81Å; L273-L283 HydrophobicContact CD1-CB 3.9Å; L273-L283 HydrophobicContact CD1-CD2 4.35Å; L273-L283 HydrophobicContact CG-CB 4.27Å |
| 274 | G | 96.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 137.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I258 V259 C260 | I258-G274 WeakPolarHBondContact CA-O 3.47Å; I258-G274 WeakPolarHBondContact CG2-O 3.26Å; V259-G274 PolarHBondContact N-O 2.9Å; C260-G274 PolarHBondContact N-O 2.9Å; C260-G274 PolarHBondContact O-N 2.69Å |
| 275 | D | 94.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 174.6 | 178.4 | 77.3 | 11.8 | 0 | 0 | 0 | 114 | S256 T257 E277 G278 R279 F281 | S256-D275 WeakPolarHBondContact CB-OD2 2.98Å; T257-D275 VanDerWaalsContact O-CA 3.31Å; T257-D275 WeakPolarHBondContact O-CA 3.37Å; T257-D275 WeakPolarHBondContact O-CB 3.24Å; D275-E277 VanDerWaalsContact C-N 3.27Å; D275-E277 PolarHBondContact O-N 2.87Å; D275-E277 WeakPolarHBondContact OD1-CA 3.17Å; D275-E277 PolarHBondContact OD1-N 2.75Å; D275-G278 PolarHBondContact O-N 3.25Å; D275-G278 PolarHBondContact OD1-N 2.71Å; D275-R279 PolarHBondContact N-O 2.98Å; D275-R279 PolarHBondContact OD1-N 3.01Å; D275-R279 VanDerWaalsContact OD2-CB 3.28Å; D275-R279 WeakPolarHBondContact OD2-CB 3.5Å; D275-R279 VanDerWaalsContact OD2-CD 3.27Å; D275-R279 WeakPolarHBondContact OD2-CD 3.45Å; D275-R279 WeakPolarHBondContact OD2-CG 3.42Å; D275-F281 HydrophobicContact CB-CE2 4.24Å; D275-F281 WeakPolarHBondContact OD2-CE2 3.46Å |
| 276 | M | 91 | Very high | 94.3 | Very high | 79 Ų | 79 | 28.4 Ų | 28.4 | 39% | 0.389 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -19.9 | 179 | -74.2 | -69 | -72.8 | 0 | 0 | 114.1 | T257 V259 G278 | T257-M276 PolarHBondContact O-N 3.2Å; T257-M276 VanDerWaalsContact O-N 3.08Å; V259-M276 HydrophobicContact CG1-CG 3.54Å; V259-M276 HydrophobicContact CG1-SD 3.61Å; V259-M276 HydrophobicContact CG2-SD 4.37Å; M276-G278 VanDerWaalsContact C-N 3.32Å |
| 277 | E | 90.6 | Very high | 94.2 | Very high | 23 Ų | 23 | 29.8 Ų | 29.8 | 11% | 0.107 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -0.5 | 174 | -73.7 | -162.5 | 156.7 | 0 | 0 | 112.9 | S256 D275 R279 K383 | S256-E277 PolarHBondContact OG-N 3.19Å; D275-E277 VanDerWaalsContact C-N 3.27Å; D275-E277 PolarHBondContact O-N 2.87Å; D275-E277 WeakPolarHBondContact OD1-CA 3.17Å; D275-E277 PolarHBondContact OD1-N 2.75Å; E277-R279 HydrophobicContact CB-CG 4.32Å; E277-R279 IonicContact OE2-CZ 3.31Å; E277-R279 IonicContact OE2-NE 3.53Å; E277-R279 PolarHBondContact OE2-NE 2.9Å; E277-R279 IonicContact OE2-NH2 3.15Å; E277-R279 PolarHBondContact OE2-NH2 3.42Å; E277-K383 WeakPolarHBondContact O-CD 3.5Å; E277-K383 WeakPolarHBondContact O-CE 3.37Å |
| 278 | G | 92.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | trans | 77.9 | 20.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D275 M276 E307 T308 | D275-G278 PolarHBondContact O-N 3.25Å; D275-G278 PolarHBondContact OD1-N 2.71Å; M276-G278 VanDerWaalsContact C-N 3.32Å; G278-E307 CarbonylContact O-C 3.6Å; G278-E307 WeakPolarHBondContact O-CA 3.4Å; G278-E307 WeakPolarHBondContact O-CG 3.37Å; G278-T308 PolarHBondContact O-N 2.99Å; G278-T308 VanDerWaalsContact O-O 3.13Å; G278-T308 PolarHBondContact O-OG1 2.8Å | ||
| 279 | R | 94.9 | Very high | 93.8 | Very high | 48 Ų | 48 | 37.5 Ų | 37.5 | 18% | 0.181 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 142.6 | 171.9 | -48.1 | 177.9 | -173.5 | -176.7 | -3.4 | 109.9 | Q255 D275 E277 F281 L304 G306 | Q255-R279 VanDerWaalsContact OE1-CZ 3.23Å; D275-R279 PolarHBondContact N-O 2.98Å; D275-R279 PolarHBondContact OD1-N 3.01Å; D275-R279 VanDerWaalsContact OD2-CB 3.28Å; D275-R279 WeakPolarHBondContact OD2-CB 3.5Å; D275-R279 VanDerWaalsContact OD2-CD 3.27Å; D275-R279 WeakPolarHBondContact OD2-CD 3.45Å; D275-R279 WeakPolarHBondContact OD2-CG 3.42Å; E277-R279 HydrophobicContact CB-CG 4.32Å; E277-R279 IonicContact OE2-CZ 3.31Å; E277-R279 IonicContact OE2-NE 3.53Å; E277-R279 PolarHBondContact OE2-NE 2.9Å; E277-R279 IonicContact OE2-NH2 3.15Å; E277-R279 PolarHBondContact OE2-NH2 3.42Å; R279-F281 HydrophobicContact CB-CE2 3.75Å; R279-F281 HydrophobicContact CB-CZ 3.94Å; R279-L304 HydrophobicContact CB-CD1 3.96Å; R279-G306 WeakPolarHBondContact CA-O 3.43Å |
| 280 | L | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 122.9 | 179.3 | -173.7 | 67.7 | 0 | 0 | 0 | 109.8 | L272 L305 G306 T308 L314 L336 V347 | L272-L280 HydrophobicContact CB-CD1 4.37Å; L272-L280 HydrophobicContact CD2-CD1 4.27Å; L272-L280 HydrophobicContact CD2-CD2 4.41Å; L272-L280 HydrophobicContact CD2-CG 4.37Å; L280-L305 HydrophobicContact CD2-CB 4.48Å; L280-L305 HydrophobicContact CD2-CD1 3.98Å; L280-L305 HydrophobicContact CG-CB 4.47Å; L280-L305 HydrophobicContact CG-CD1 4.06Å; L280-L305 WeakPolarHBondContact O-CB 3.3Å; L280-L305 PolarHBondContact O-N 3.25Å; L280-G306 PolarHBondContact N-O 2.79Å; L280-T308 HydrophobicContact CB-CG2 4.2Å; L280-T308 HydrophobicContact CD2-CG2 4.1Å; L280-L314 HydrophobicContact CD1-CD1 3.87Å; L280-L314 HydrophobicContact CD1-CD2 4.16Å; L280-L336 HydrophobicContact CD2-CD2 3.89Å; L280-V347 HydrophobicContact CD2-CG2 4Å |
| 281 | F | 96.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 153.1 | 177.7 | -54.5 | -92 | 0 | 0 | 0 | 111.4 | L272 L273 D275 R279 V302 E303 L304 | L272-F281 WeakPolarHBondContact CA-O 3.11Å; L273-F281 HydrophobicContact CB-CB 4.24Å; L273-F281 PolarHBondContact N-O 3.43Å; L273-F281 PolarHBondContact O-N 2.81Å; D275-F281 HydrophobicContact CB-CE2 4.24Å; D275-F281 WeakPolarHBondContact OD2-CE2 3.46Å; R279-F281 HydrophobicContact CB-CE2 3.75Å; R279-F281 HydrophobicContact CB-CZ 3.94Å; F281-V302 HydrophobicContact CB-CG1 4.17Å; F281-V302 HydrophobicContact CD1-CG1 4.07Å; F281-V302 HydrophobicContact CG-CG1 4.43Å; F281-E303 CarbonylContact C-O 3.58Å; F281-E303 VanDerWaalsContact CA-O 3.27Å; F281-E303 WeakPolarHBondContact CA-O 3.07Å; F281-L304 HydrophobicContact CD1-CB 4.12Å; F281-L304 HydrophobicContact CD1-CD1 3.87Å; F281-L304 HydrophobicContact CE1-CB 4.16Å; F281-L304 HydrophobicContact CE1-CD1 3.6Å; F281-L304 HydrophobicContact CE1-CG 4.43Å; F281-L304 HydrophobicContact CG-CD1 4.49Å; F281-L304 HydrophobicContact CZ-CD1 4.01Å |
| 282 | M | 96.9 | Very high | 91.5 | Very high | 15 Ų | 15 | 50.7 Ų | 50.7 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 121.2 | 167.5 | -173.7 | 68.4 | 71 | 0 | 0 | 109.1 | V264 R270 Y271 L272 L284 V302 E303 L305 L336 | V264-M282 HydrophobicContact CG2-CE 4.37Å; V264-M282 HydrophobicContact CG2-SD 4.34Å; R270-M282 HydrophobicContact CB-SD 3.84Å; R270-M282 HydrophobicContact CG-SD 4.35Å; Y271-M282 CarbonylContact O-C 3.58Å; Y271-M282 WeakPolarHBondContact O-CA 3.15Å; Y271-M282 VanDerWaalsContact O-SD 3.38Å; L272-M282 HydrophobicContact CD2-CE 3.55Å; L272-M282 HydrophobicContact CD2-SD 4.12Å; L272-M282 HydrophobicContact CG-CE 4.39Å; M282-L284 HydrophobicContact CB-CD1 4.37Å; M282-L284 HydrophobicContact CG-CD1 3.88Å; M282-L284 HydrophobicContact CG-CG 3.98Å; M282-V302 WeakPolarHBondContact O-CA 3.38Å; M282-E303 PolarHBondContact N-O 2.83Å; M282-E303 PolarHBondContact O-N 3.02Å; M282-L305 HydrophobicContact CB-CD1 4.08Å; M282-L305 HydrophobicContact CB-CD2 3.89Å; M282-L305 HydrophobicContact CB-CG 4.05Å; M282-L305 HydrophobicContact CE-CD1 3.98Å; M282-L336 HydrophobicContact CE-CD1 4.35Å |
| 283 | L | 96.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 119.7 | 169.1 | 172.5 | 69.6 | 0 | 0 | 0 | 109.1 | I230 I237 I248 R270 Y271 L273 L285 L300 H301 V302 | I230-L283 HydrophobicContact CD1-CD2 4.07Å; I230-L283 HydrophobicContact CG2-CD2 4.37Å; I237-L283 HydrophobicContact CD1-CD1 4.42Å; I237-L283 HydrophobicContact CG2-CD2 4.35Å; I248-L283 HydrophobicContact CD1-CD1 4.35Å; R270-L283 WeakPolarHBondContact CA-O 3.49Å; Y271-L283 PolarHBondContact N-O 2.72Å; Y271-L283 PolarHBondContact O-N 2.86Å; L273-L283 HydrophobicContact CD1-CB 3.9Å; L273-L283 HydrophobicContact CD1-CD2 4.35Å; L273-L283 HydrophobicContact CG-CB 4.27Å; L283-L285 HydrophobicContact CD2-CD1 4.38Å; L283-L285 HydrophobicContact CG-CD1 4.11Å; L283-L300 HydrophobicContact CD1-CB 4.37Å; L283-H301 CarbonylContact C-O 3.51Å; L283-H301 WeakPolarHBondContact CA-O 3.38Å; L283-V302 HydrophobicContact CD1-CG2 3.64Å |
| 284 | L | 96.1 | Very high | 89.5 | Confident | 47 Ų | 47 | 57.2 Ų | 57.2 | 25% | 0.246 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 134.3 | 179.9 | -56 | 99.7 | 0 | 0 | 0 | 110.7 | S269 R270 M282 L300 H301 E303 | S269-L284 WeakPolarHBondContact O-CA 3.32Å; R270-L284 HydrophobicContact CG-CD2 4.35Å; M282-L284 HydrophobicContact CB-CD1 4.37Å; M282-L284 HydrophobicContact CG-CD1 3.88Å; M282-L284 HydrophobicContact CG-CG 3.98Å; L284-L300 WeakPolarHBondContact O-CA 3.42Å; L284-H301 HydrophobicContact CB-CB 4.41Å; L284-H301 HydrophobicContact CD1-CB 4.44Å; L284-H301 PolarHBondContact N-O 2.68Å; L284-H301 PolarHBondContact O-N 2.77Å; L284-E303 HydrophobicContact CD1-CG 4.15Å |
| 285 | L | 94.9 | Very high | 88.9 | Confident | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 107.7 | 174.9 | -87.5 | 70.6 | 0 | 0 | 0 | 108.8 | V222 F226 I230 S269 Y271 L283 K287 L297 L300 | V222-L285 HydrophobicContact CG1-CD2 4.07Å; F226-L285 HydrophobicContact CD2-CD2 4.36Å; F226-L285 HydrophobicContact CE2-CB 4.38Å; F226-L285 HydrophobicContact CZ-CB 4.45Å; I230-L285 HydrophobicContact CD1-CD1 3.95Å; I230-L285 HydrophobicContact CD1-CD2 4.15Å; S269-L285 PolarHBondContact O-N 3.29Å; Y271-L285 HydrophobicContact CD2-CD1 3.93Å; Y271-L285 HydrophobicContact CE2-CD1 4.04Å; Y271-L285 HydrophobicContact CE2-CD2 4.41Å; L283-L285 HydrophobicContact CD2-CD1 4.38Å; L283-L285 HydrophobicContact CG-CD1 4.11Å; L285-K287 PolarHBondContact O-N 2.97Å; L285-L297 HydrophobicContact CB-CD1 3.46Å; L285-L297 VanDerWaalsContact CB-CD1 3.46Å; L285-L297 HydrophobicContact CD2-CD1 3.93Å; L285-L297 HydrophobicContact CD2-CD2 4.14Å; L285-L297 HydrophobicContact CG-CD1 3.62Å; L285-L297 HydrophobicContact CG-CD2 4.28Å; L285-L300 HydrophobicContact CD1-CD2 3.73Å; L285-L300 HydrophobicContact CG-CD2 3.61Å |
| 286 | E | 92.3 | Very high | 88.5 | Confident | 80 Ų | 80 | 60.1 Ų | 60.1 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 118.9 | 179.8 | -72.4 | -164.3 | 176.6 | 0 | 0 | 110.9 | K298 D299 | E286-K298 HydrophobicContact CB-CB 4.06Å; E286-K298 WeakPolarHBondContact O-CB 3.4Å; E286-K298 PolarHBondContact O-N 3.16Å; E286-K298 IonicContact OE2-NZ 3.52Å; E286-K298 PolarHBondContact OE2-NZ 3.42Å; E286-D299 PolarHBondContact N-O 2.81Å |
| 287 | K | 87.9 | Confident | 88.4 | Confident | 137 Ų | 137 | 56.5 Ų | 56.5 | 60% | 0.596 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 139.3 | 175 | 63.7 | 177 | -174.7 | 165.3 | 0 | 112.4 | F226 L285 V295 | F226-K287 HydrophobicContact CE1-CB 3.99Å; F226-K287 HydrophobicContact CZ-CB 3.96Å; L285-K287 PolarHBondContact O-N 2.97Å; K287-V295 HydrophobicContact CB-CG1 4.21Å |
| 288 | E | 86.9 | Confident | 88.4 | Confident | 86 Ų | 86 | 60.8 Ų | 60.8 | 40% | 0.402 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 124.9 | 166.6 | 174.2 | 175.6 | -139 | 0 | 0 | 108.9 | A296 K298 | E288-A296 PolarHBondContact N-O 3.27Å; E288-A296 PolarHBondContact O-N 2.88Å; E288-K298 HydrophobicContact CB-CB 3.9Å; E288-K298 HydrophobicContact CB-CG 4.42Å |
| 289 | E | 84.6 | Confident | 88.4 | Confident | 141 Ų | 141 | 64.3 Ų | 64.3 | 66% | 0.659 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 117.3 | 172.4 | -73.3 | 175.6 | -165 | 0 | 0 | 108.7 | V295 | E289-V295 HydrophobicContact CG-CG2 4.43Å |
| 290 | L | 82.4 | Confident | 88.4 | Confident | 72 Ų | 72 | 62.3 Ų | 62.3 | 38% | 0.377 | 33% | 0.328 | S | S | . | . | trans | -75.8 | 160 | 177.1 | -66.7 | 175.1 | 0 | 0 | 0 | 110.8 | D292 G293 T294 A296 | L290-D292 VanDerWaalsContact CB-OD1 3.28Å; L290-D292 WeakPolarHBondContact CB-OD1 3.45Å; L290-D292 PolarHBondContact O-N 2.94Å; L290-G293 PolarHBondContact O-N 3.01Å; L290-T294 WeakPolarHBondContact CB-O 3.45Å; L290-T294 WeakPolarHBondContact CD1-OG1 3.35Å; L290-T294 PolarHBondContact N-O 2.86Å; L290-A296 HydrophobicContact CD1-CB 3.8Å; L290-A296 HydrophobicContact CD2-CB 4.49Å; L290-A296 HydrophobicContact CG-CB 3.95Å | ||
| 291 | M | 78.1 | Confident | 88.3 | Confident | 207 Ų | 207 | 66.6 Ų | 66.6 | 100% | 1.02 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.1 | -177.4 | -66.2 | -172.2 | -178.3 | 0 | 0 | 114 | ||
| 292 | D | 75.8 | Confident | 88.2 | Confident | 118 Ų | 118 | 67.4 Ų | 67.4 | 63% | 0.631 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -0.6 | 177.2 | 62.3 | 4 | 0 | 0 | 0 | 113.7 | L290 T294 | L290-D292 VanDerWaalsContact CB-OD1 3.28Å; L290-D292 WeakPolarHBondContact CB-OD1 3.45Å; L290-D292 PolarHBondContact O-N 2.94Å; D292-T294 WeakPolarHBondContact OD1-CB 3.26Å; D292-T294 PolarHBondContact OD1-N 2.89Å; D292-T294 PolarHBondContact OD1-OG1 2.82Å; D292-T294 PolarHBondContact OD2-OG1 3.47Å |
| 293 | G | 74 | Confident | 88.1 | Confident | 65 Ų | 65 | 70.6 Ų | 70.6 | 67% | 0.67 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 85.1 | 4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L290 | L290-G293 PolarHBondContact O-N 3.01Š|
| 294 | T | 80 | Confident | 88 | Confident | 72 Ų | 72 | 74.5 Ų | 74.5 | 44% | 0.442 | 39% | 0.388 | S | S | . | . | trans | -81.1 | 143.4 | 172.1 | 61.3 | 0 | 0 | 0 | 0 | 111.2 | L290 D292 | L290-T294 WeakPolarHBondContact CB-O 3.45Å; L290-T294 WeakPolarHBondContact CD1-OG1 3.35Å; L290-T294 PolarHBondContact N-O 2.86Å; D292-T294 WeakPolarHBondContact OD1-CB 3.26Å; D292-T294 PolarHBondContact OD1-N 2.89Å; D292-T294 PolarHBondContact OD1-OG1 2.82Å; D292-T294 PolarHBondContact OD2-OG1 3.47Å | ||
| 295 | V | 83.6 | Confident | 88 | Confident | 49 Ų | 49 | 73 Ų | 73 | 30% | 0.297 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 125.5 | 178.1 | -178 | 0 | 0 | 0 | 0 | 108.6 | P225 F226 K287 E289 | P225-V295 HydrophobicContact CB-CB 4.27Å; P225-V295 HydrophobicContact CG-CB 4.43Å; P225-V295 HydrophobicContact CG-CG1 4.31Å; F226-V295 HydrophobicContact CD1-CG1 4.35Å; F226-V295 HydrophobicContact CE1-CG1 3.98Å; K287-V295 HydrophobicContact CB-CG1 4.21Å; E289-V295 HydrophobicContact CG-CG2 4.43Å |
| 296 | A | 85.3 | Confident | 88 | Confident | 14 Ų | 14 | 73.2 Ų | 73.2 | 12% | 0.116 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 150.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | E288 L290 | E288-A296 PolarHBondContact N-O 3.27Å; E288-A296 PolarHBondContact O-N 2.88Å; L290-A296 HydrophobicContact CD1-CB 3.8Å; L290-A296 HydrophobicContact CD2-CB 4.49Å; L290-A296 HydrophobicContact CG-CB 3.95Å |
| 297 | L | 89.8 | Confident | 88.1 | Confident | 2 Ų | 2 | 74.2 Ų | 74.2 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 121 | 174.5 | -177.8 | 64.8 | 0 | 0 | 0 | 111.3 | F226 Y239 K244 L246 L285 L300 | F226-L297 HydrophobicContact CD1-CB 4.2Å; F226-L297 HydrophobicContact CD1-CD1 4.42Å; F226-L297 HydrophobicContact CE1-CD1 4.26Å; Y239-L297 HydrophobicContact CD1-CD2 3.57Å; Y239-L297 HydrophobicContact CD2-CD2 3.86Å; Y239-L297 HydrophobicContact CE1-CB 4.38Å; Y239-L297 HydrophobicContact CE1-CD2 3.8Å; Y239-L297 HydrophobicContact CE2-CD2 4.08Å; Y239-L297 HydrophobicContact CG-CD2 3.58Å; K244-L297 WeakPolarHBondContact CE-O 3.44Å; K244-L297 PolarHBondContact NZ-O 2.98Å; L246-L297 HydrophobicContact CD1-CB 4.43Å; L246-L297 HydrophobicContact CD1-CD2 3.82Å; L246-L297 HydrophobicContact CD1-CG 3.81Å; L285-L297 HydrophobicContact CB-CD1 3.46Å; L285-L297 VanDerWaalsContact CB-CD1 3.46Å; L285-L297 HydrophobicContact CD2-CD1 3.93Å; L285-L297 HydrophobicContact CD2-CD2 4.14Å; L285-L297 HydrophobicContact CG-CD1 3.62Å; L285-L297 HydrophobicContact CG-CD2 4.28Å; L297-L300 HydrophobicContact CD1-CD2 4.46Å; L297-L300 HydrophobicContact CD2-CD2 3.91Å |
| 298 | K | 90.4 | Very high | 88.4 | Confident | 114 Ų | 114 | 67.9 Ų | 67.9 | 50% | 0.496 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -56.1 | -178.3 | -171.1 | 179.7 | 152.3 | -130.1 | 0 | 112.2 | E286 E288 | E286-K298 HydrophobicContact CB-CB 4.06Å; E286-K298 WeakPolarHBondContact O-CB 3.4Å; E286-K298 PolarHBondContact O-N 3.16Å; E286-K298 IonicContact OE2-NZ 3.52Å; E286-K298 PolarHBondContact OE2-NZ 3.42Å; E288-K298 HydrophobicContact CB-CB 3.9Å; E288-K298 HydrophobicContact CB-CG 4.42Å |
| 299 | D | 92.8 | Very high | 88.9 | Confident | 75 Ų | 75 | 63.8 Ų | 63.8 | 40% | 0.401 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 167.5 | -173.6 | -155.2 | 0.3 | 0 | 0 | 0 | 110.8 | E286 | E286-D299 PolarHBondContact N-O 2.81Å |
| 300 | L | 94.8 | Very high | 89.5 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 135.6 | 176.3 | -62.9 | 175.6 | 0 | 0 | 0 | 109.8 | I237 L246 I248 L283 L284 L285 L297 | I237-L300 HydrophobicContact CG2-CD1 4.42Å; L246-L300 HydrophobicContact CB-CD1 4.5Å; I248-L300 HydrophobicContact CD1-CB 3.6Å; I248-L300 HydrophobicContact CG1-CB 4.03Å; I248-L300 HydrophobicContact CG1-CD1 4.33Å; I248-L300 HydrophobicContact CG2-CB 4.01Å; L283-L300 HydrophobicContact CD1-CB 4.37Å; L284-L300 WeakPolarHBondContact O-CA 3.42Å; L285-L300 HydrophobicContact CD1-CD2 3.73Å; L285-L300 HydrophobicContact CG-CD2 3.61Å; L297-L300 HydrophobicContact CD1-CD2 4.46Å; L297-L300 HydrophobicContact CD2-CD2 3.91Å |
| 301 | H | 94.4 | Very high | 90.2 | Very high | 90 Ų | 90 | 54.1 Ų | 54.1 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 139.2 | 176.2 | -163.1 | 58.8 | 0 | 0 | 0 | 111.6 | L283 L284 E303 | L283-H301 CarbonylContact C-O 3.51Å; L283-H301 WeakPolarHBondContact CA-O 3.38Å; L284-H301 HydrophobicContact CB-CB 4.41Å; L284-H301 HydrophobicContact CD1-CB 4.44Å; L284-H301 PolarHBondContact N-O 2.68Å; L284-H301 PolarHBondContact O-N 2.77Å; H301-E303 WeakPolarHBondContact CD2-CG 3.37Å; H301-E303 IonicContact CD2-OE1 3.45Å; H301-E303 PolarHBondContact CD2-OE1 3.26Å; H301-E303 WeakPolarHBondContact NE2-CG 3.2Å; H301-E303 IonicContact NE2-OE1 2.71Å; H301-E303 PolarHBondContact NE2-OE1 3.48Å |
| 302 | V | 95.3 | Very high | 91 | Very high | 17 Ų | 17 | 48.2 Ų | 48.2 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123 | 178.1 | 177 | 0 | 0 | 0 | 0 | 109.1 | I237 I248 P250 I253 F281 M282 L283 | I237-V302 HydrophobicContact CD1-CG2 3.91Å; I248-V302 HydrophobicContact CD1-CG2 3.67Å; P250-V302 HydrophobicContact CB-CB 4.43Å; P250-V302 HydrophobicContact CG-CB 3.86Å; P250-V302 HydrophobicContact CG-CG2 3.92Å; I253-V302 HydrophobicContact CG2-CG1 4.33Å; F281-V302 HydrophobicContact CB-CG1 4.17Å; F281-V302 HydrophobicContact CD1-CG1 4.07Å; F281-V302 HydrophobicContact CG-CG1 4.43Å; M282-V302 WeakPolarHBondContact O-CA 3.38Å; L283-V302 HydrophobicContact CD1-CG2 3.64Å |
| 303 | E | 93.9 | Very high | 92 | Very high | 83 Ų | 83 | 43.3 Ų | 43.3 | 39% | 0.388 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 138.3 | 177.6 | -64.5 | -178.2 | 168 | 0 | 0 | 110.2 | F281 M282 L284 H301 | F281-E303 CarbonylContact C-O 3.58Å; F281-E303 VanDerWaalsContact CA-O 3.27Å; F281-E303 WeakPolarHBondContact CA-O 3.07Å; M282-E303 PolarHBondContact N-O 2.83Å; M282-E303 PolarHBondContact O-N 3.02Å; L284-E303 HydrophobicContact CD1-CG 4.15Å; H301-E303 WeakPolarHBondContact CD2-CG 3.37Å; H301-E303 IonicContact CD2-OE1 3.45Å; H301-E303 PolarHBondContact CD2-OE1 3.26Å; H301-E303 WeakPolarHBondContact NE2-CG 3.2Å; H301-E303 IonicContact NE2-OE1 2.71Å; H301-E303 PolarHBondContact NE2-OE1 3.48Å |
| 304 | L | 95.3 | Very high | 93.1 | Very high | 82 Ų | 82 | 40.4 Ų | 40.4 | 43% | 0.429 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 125.1 | 172.3 | 177 | 67.2 | 0 | 0 | 0 | 109.1 | R279 F281 | R279-L304 HydrophobicContact CB-CD1 3.96Å; F281-L304 HydrophobicContact CD1-CB 4.12Å; F281-L304 HydrophobicContact CD1-CD1 3.87Å; F281-L304 HydrophobicContact CE1-CB 4.16Å; F281-L304 HydrophobicContact CE1-CD1 3.6Å; F281-L304 HydrophobicContact CE1-CG 4.43Å; F281-L304 HydrophobicContact CG-CD1 4.49Å; F281-L304 HydrophobicContact CZ-CD1 4.01Å |
| 305 | L | 95.6 | Very high | 93.8 | Very high | 15 Ų | 15 | 37 Ų | 37 | 8% | 0.079 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -36.9 | 177.5 | -58.3 | -178.3 | 0 | 0 | 0 | 112.2 | L272 L280 M282 L336 S345 Y346 V347 | L272-L305 HydrophobicContact CD2-CD1 3.69Å; L280-L305 HydrophobicContact CD2-CB 4.48Å; L280-L305 HydrophobicContact CD2-CD1 3.98Å; L280-L305 HydrophobicContact CG-CB 4.47Å; L280-L305 HydrophobicContact CG-CD1 4.06Å; L280-L305 WeakPolarHBondContact O-CB 3.3Å; L280-L305 PolarHBondContact O-N 3.25Å; M282-L305 HydrophobicContact CB-CD1 4.08Å; M282-L305 HydrophobicContact CB-CD2 3.89Å; M282-L305 HydrophobicContact CB-CG 4.05Å; M282-L305 HydrophobicContact CE-CD1 3.98Å; L305-L336 HydrophobicContact CD1-CD1 4.19Å; L305-L336 HydrophobicContact CD1-CD2 3.95Å; L305-S345 PolarHBondContact O-OG 3.15Å; L305-Y346 HydrophobicContact CD2-CD2 4.41Å; L305-Y346 PolarHBondContact O-N 3.16Å; L305-V347 HydrophobicContact CB-CG2 4.05Å |
| 306 | G | 94.4 | Very high | 94.5 | Very high | 12 Ų | 12 | 36.7 Ų | 36.7 | 12% | 0.124 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.1 | -155.6 | -176 | 0 | 0 | 0 | 0 | 0 | 112 | R279 L280 | R279-G306 WeakPolarHBondContact CA-O 3.43Å; L280-G306 PolarHBondContact N-O 2.79Å |
| 307 | E | 93.9 | Very high | 94.8 | Very high | 101 Ų | 101 | 36.5 Ų | 36.5 | 47% | 0.472 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 138.8 | 179.5 | -165.7 | -177.1 | 155.4 | 0 | 0 | 110.4 | G278 V347 K383 | G278-E307 CarbonylContact O-C 3.6Å; G278-E307 WeakPolarHBondContact O-CA 3.4Å; G278-E307 WeakPolarHBondContact O-CG 3.37Å; E307-V347 WeakPolarHBondContact O-CG1 3.21Å; E307-K383 WeakPolarHBondContact OE1-CD 3.32Å; E307-K383 WeakPolarHBondContact OE1-CE 3.38Å; E307-K383 IonicContact OE1-NZ 3.23Å; E307-K383 PolarHBondContact OE1-NZ 3.15Å |
| 308 | T | 96 | Very high | 94.9 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | trans | -127.2 | -176.7 | 174.9 | 60.8 | 0 | 0 | 0 | 0 | 109.4 | G278 L280 V324 V334 V347 K383 | G278-T308 PolarHBondContact O-N 2.99Å; G278-T308 VanDerWaalsContact O-O 3.13Å; G278-T308 PolarHBondContact O-OG1 2.8Å; L280-T308 HydrophobicContact CB-CG2 4.2Å; L280-T308 HydrophobicContact CD2-CG2 4.1Å; T308-V324 HydrophobicContact CG2-CG2 4.19Å; T308-V334 HydrophobicContact CG2-CG1 4.34Å; T308-V334 HydrophobicContact CG2-CG2 4.05Å; T308-V347 HydrophobicContact CG2-CG1 3.92Å; T308-V347 HydrophobicContact CG2-CG2 4.49Å; T308-K383 WeakPolarHBondContact O-CE 3.33Å; T308-K383 PolarHBondContact O-NZ 2.86Å | ||
| 309 | S | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -53.4 | 154.8 | 160.8 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | A311 D330 Q332 E384 | S309-A311 PolarHBondContact O-N 3.33Å; S309-D330 WeakPolarHBondContact CB-O 3.38Å; S309-D330 PolarHBondContact OG-O 2.85Å; S309-Q332 WeakPolarHBondContact OG-CG 3.45Å; S309-Q332 PolarHBondContact OG-NE2 2.83Å; S309-Q332 PolarHBondContact OG-OE1 2.99Å; S309-E384 WeakPolarHBondContact CA-OE1 3.37Å |
| 310 | I | 97.3 | Very high | 94.8 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | trans | -58.6 | 112.7 | 170.4 | -57.8 | 176 | 0 | 0 | 0 | 108.7 | S326 L328 F382 K383 E384 | I310-S326 WeakPolarHBondContact O-CA 3.24Å; I310-S326 WeakPolarHBondContact O-CB 3.36Å; I310-S326 PolarHBondContact O-OG 2.73Å; I310-L328 HydrophobicContact CG2-CD1 4.47Å; I310-F382 HydrophobicContact CD1-CB 4Å; I310-F382 HydrophobicContact CD1-CD2 4.15Å; I310-K383 HydrophobicContact CD1-CD 4.47Å; I310-K383 HydrophobicContact CD1-CG 4.14Å; I310-K383 HydrophobicContact CG1-CD 4.09Å; I310-K383 HydrophobicContact CG1-CG 4.12Å; I310-E384 HydrophobicContact CB-CG 4.32Å; I310-E384 HydrophobicContact CD1-CG 3.92Å; I310-E384 HydrophobicContact CG1-CG 3.87Å; I310-E384 PolarHBondContact N-OE1 2.75Å | ||
| 311 | A | 96.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | trans | -90 | 116.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V259 C260 S309 L314 V324 | V259-A311 WeakPolarHBondContact CG2-O 3.23Å; C260-A311 PolarHBondContact SG-O 3.22Å; S309-A311 PolarHBondContact O-N 3.33Å; A311-L314 HydrophobicContact CB-CD1 4.5Å; A311-L314 HydrophobicContact CB-CD2 3.82Å; A311-L314 HydrophobicContact CB-CG 3.96Å; A311-V324 HydrophobicContact CB-CG1 3.74Å | ||
| 312 | E | 96 | Very high | 94.9 | Very high | 84 Ų | 84 | 34 Ų | 34 | 39% | 0.393 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -82.4 | -40.1 | 167.4 | -173.7 | 81.6 | -155.3 | 0 | 0 | 109.8 | C260 G325 R327 | C260-E312 WeakPolarHBondContact CB-O 3.45Å; E312-G325 PolarHBondContact N-O 3.5Å; E312-R327 HydrophobicContact CB-CB 3.93Å; E312-R327 HydrophobicContact CG-CB 4.02Å; E312-R327 WeakPolarHBondContact OE2-CB 3.48Å; E312-R327 IonicContact OE2-NE 3.98Å; E312-R327 PolarHBondContact OE2-NE 3.17Å; E312-R327 VanDerWaalsContact OE2-NE 3.09Å |
| 313 | C | 95.9 | Very high | 95 | Very high | 14 Ų | 14 | 33.3 Ų | 33.3 | 10% | 0.095 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 146.3 | 173.1 | 72.7 | 0 | 0 | 0 | 0 | 110.9 | C18 G325 | C18-C313 HydrophobicContact CB-CB 4.38Å; C18-C313 WeakPolarHBondContact CB-SG 3.45Å; C18-C313 PolarHBondContact N-SG 2.78Å; C18-C313 WeakPolarHBondContact SG-CB 3.39Å; C18-C313 CovalentContact SG-SG 2.06Å; C18-C313 PolarHBondContact SG-SG 2.82Å; C313-G325 PolarHBondContact N-O 3.02Å; C313-G325 VanDerWaalsContact N-O 3.1Å; C313-G325 PolarHBondContact O-N 2.78Å |
| 314 | L | 96.7 | Very high | 95.2 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 139.1 | 175.2 | -71.7 | 169.5 | 0 | 0 | 0 | 109.2 | C260 N262 L272 L280 A311 V322 V324 | C260-L314 VanDerWaalsContact SG-CD1 3.59Å; N262-L314 HydrophobicContact CB-CB 3.94Å; N262-L314 VanDerWaalsContact CB-O 3.31Å; N262-L314 WeakPolarHBondContact CB-O 3.26Å; N262-L314 PolarHBondContact ND2-O 3.05Å; N262-L314 VanDerWaalsContact ND2-O 3.09Å; L272-L314 HydrophobicContact CB-CD1 4.39Å; L280-L314 HydrophobicContact CD1-CD1 3.87Å; L280-L314 HydrophobicContact CD1-CD2 4.16Å; A311-L314 HydrophobicContact CB-CD1 4.5Å; A311-L314 HydrophobicContact CB-CD2 3.82Å; A311-L314 HydrophobicContact CB-CG 3.96Å; L314-V322 HydrophobicContact CD2-CG1 4.33Å; L314-V324 HydrophobicContact CD2-CB 4.34Å; L314-V324 HydrophobicContact CD2-CG1 4.13Å; L314-V324 HydrophobicContact CD2-CG2 3.91Å |
| 315 | T | 96.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 110.8 | 174 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | C18 T20 L31 L317 F323 | C18-T315 PolarHBondContact O-OG1 3.15Å; C18-T315 PolarHBondContact SG-OG1 2.88Å; T20-T315 VanDerWaalsContact CB-CG2 3.45Å; T20-T315 HydrophobicContact CG2-CG2 3.56Å; L31-T315 HydrophobicContact CD1-CG2 4.05Å; T315-L317 HydrophobicContact CG2-CD2 4.17Å; T315-F323 PolarHBondContact N-O 3.45Å; T315-F323 PolarHBondContact O-N 3.03Å |
| 316 | Y | 96.7 | Very high | 95.4 | Very high | 41 Ų | 41 | 24.7 Ų | 24.7 | 16% | 0.161 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 132 | 168 | 179.7 | -92.8 | 0 | 0 | 0 | 109.2 | N262 V264 N319 G320 V322 | N262-Y316 WeakPolarHBondContact OD1-CB 3.38Å; N262-Y316 PolarHBondContact OD1-N 3.47Å; V264-Y316 HydrophobicContact CB-CG 4.4Å; V264-Y316 HydrophobicContact CG1-CD1 4.16Å; V264-Y316 HydrophobicContact CG1-CD2 3.84Å; V264-Y316 HydrophobicContact CG1-CE1 4.18Å; V264-Y316 HydrophobicContact CG1-CE2 3.84Å; V264-Y316 HydrophobicContact CG1-CG 4.01Å; V264-Y316 HydrophobicContact CG2-CD2 4.27Å; V264-Y316 HydrophobicContact CG2-CG 4.35Å; Y316-N319 PolarHBondContact OH-N 2.77Å; Y316-G320 PolarHBondContact OH-N 2.95Å; Y316-G320 VanDerWaalsContact OH-N 3.09Å; Y316-V322 HydrophobicContact CD2-CG2 3.93Å |
| 317 | L | 92.9 | Very high | 95.5 | Very high | 11 Ų | 11 | 27.7 Ų | 27.7 | 6% | 0.058 | 14% | 0.139 | C | C | . | . | trans | -99.2 | -92.6 | 178.4 | -56.6 | 177.8 | 0 | 0 | 0 | 109 | L31 V44 L49 T315 V321 F323 L333 | L31-L317 HydrophobicContact CB-CD2 4.11Å; L31-L317 HydrophobicContact CD1-CD2 4.14Å; L31-L317 HydrophobicContact CD2-CD2 4.33Å; L31-L317 HydrophobicContact CG-CD2 4.42Å; V44-L317 HydrophobicContact CG1-CB 4.18Å; V44-L317 HydrophobicContact CG1-CD1 4.39Å; V44-L317 HydrophobicContact CG2-CB 4.23Å; V44-L317 HydrophobicContact CG2-CD1 4.12Å; V44-L317 HydrophobicContact CG2-CD2 3.91Å; V44-L317 HydrophobicContact CG2-CG 4.31Å; L49-L317 HydrophobicContact CD2-CD1 3.93Å; T315-L317 HydrophobicContact CG2-CD2 4.17Å; L317-V321 HydrophobicContact CD1-CG1 4.3Å; L317-V321 PolarHBondContact N-O 2.94Å; L317-F323 HydrophobicContact CD1-CB 4.42Å; L317-L333 HydrophobicContact CD1-CD1 3.83Å | ||
| 318 | D | 90.4 | Very high | 95.6 | Very high | 79 Ų | 79 | 24 Ų | 24 | 42% | 0.422 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -154.7 | 167.1 | 176.4 | -167.8 | 18.4 | 0 | 0 | 0 | 110.5 | L29 G320 V321 | L29-D318 HydrophobicContact CD2-CB 4.2Å; D318-G320 PolarHBondContact O-N 2.78Å; D318-G320 VanDerWaalsContact O-N 3.13Å; D318-V321 WeakPolarHBondContact O-CB 3.31Å; D318-V321 PolarHBondContact O-N 2.8Å |
| 319 | N | 89.6 | Confident | 95.6 | Very high | 118 Ų | 118 | 23.7 Ų | 23.7 | 63% | 0.631 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 35.3 | 176.6 | -64.3 | -60.1 | 0 | 0 | 0 | 114 | Y316 V321 K335 | Y316-N319 PolarHBondContact OH-N 2.77Å; N319-V321 VanDerWaalsContact C-N 3.26Å; N319-V321 PolarHBondContact O-N 3.28Å; N319-K335 WeakPolarHBondContact O-CE 3.36Å; N319-K335 PolarHBondContact O-NZ 2.82Å |
| 320 | G | 91.6 | Very high | 95.6 | Very high | 13 Ų | 13 | 25 Ų | 25 | 13% | 0.134 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 15.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y316 D318 K335 L336 | Y316-G320 PolarHBondContact OH-N 2.95Å; Y316-G320 VanDerWaalsContact OH-N 3.09Å; D318-G320 PolarHBondContact O-N 2.78Å; D318-G320 VanDerWaalsContact O-N 3.13Å; G320-K335 CarbonylContact O-C 3.59Å; G320-L336 WeakPolarHBondContact O-CB 3.48Å; G320-L336 PolarHBondContact O-N 2.85Å |
| 321 | V | 95.6 | Very high | 95.6 | Very high | 23 Ų | 23 | 24.8 Ų | 24.8 | 14% | 0.139 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 132.6 | 175.6 | -176 | 0 | 0 | 0 | 0 | 109.5 | L317 D318 N319 L333 V334 K335 M350 | L317-V321 HydrophobicContact CD1-CG1 4.3Å; L317-V321 PolarHBondContact N-O 2.94Å; D318-V321 WeakPolarHBondContact O-CB 3.31Å; D318-V321 PolarHBondContact O-N 2.8Å; N319-V321 VanDerWaalsContact C-N 3.26Å; N319-V321 PolarHBondContact O-N 3.28Å; V321-L333 HydrophobicContact CG1-CD1 3.6Å; V321-L333 HydrophobicContact CG1-CD2 4.09Å; V321-L333 HydrophobicContact CG1-CG 3.65Å; V321-V334 CarbonylContact C-O 3.53Å; V321-V334 WeakPolarHBondContact CA-O 3.23Å; V321-K335 HydrophobicContact CG2-CD 3.81Å; V321-M350 HydrophobicContact CG1-SD 4.09Å; V321-M350 HydrophobicContact CG2-SD 4Å |
| 322 | V | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 131.1 | -178.5 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | L272 L314 Y316 V324 V334 L336 | L272-V322 HydrophobicContact CD1-CB 4.45Å; L272-V322 HydrophobicContact CD1-CG1 3.94Å; L272-V322 HydrophobicContact CD1-CG2 3.57Å; L314-V322 HydrophobicContact CD2-CG1 4.33Å; Y316-V322 HydrophobicContact CD2-CG2 3.93Å; V322-V324 HydrophobicContact CG1-CG2 4.33Å; V322-V334 PolarHBondContact N-O 3.13Å; V322-V334 PolarHBondContact O-N 2.84Å; V322-L336 HydrophobicContact CG2-CD1 3.74Å; V322-L336 HydrophobicContact CG2-CG 4Å |
| 323 | F | 97.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 1% | 0.013 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 126.6 | 166.3 | -179.3 | -101.3 | 0 | 0 | 0 | 109.7 | C18 L31 I33 L49 T315 L317 L333 F353 | C18-F323 HydrophobicContact CB-CD1 4.07Å; C18-F323 HydrophobicContact CB-CE1 4.04Å; L31-F323 HydrophobicContact CD1-CB 4.49Å; L31-F323 HydrophobicContact CD1-CD1 4.23Å; L31-F323 HydrophobicContact CD1-CG 4.47Å; L31-F323 HydrophobicContact CD2-CB 3.91Å; L31-F323 HydrophobicContact CD2-CD1 4.05Å; L31-F323 HydrophobicContact CD2-CD2 3.9Å; L31-F323 HydrophobicContact CD2-CE2 4.47Å; L31-F323 HydrophobicContact CD2-CG 3.66Å; I33-F323 HydrophobicContact CD1-CE1 3.87Å; I33-F323 HydrophobicContact CD1-CE2 4.03Å; I33-F323 HydrophobicContact CD1-CZ 3.53Å; I33-F323 HydrophobicContact CG1-CE1 4.26Å; I33-F323 HydrophobicContact CG1-CZ 4.39Å; L49-F323 HydrophobicContact CD1-CD2 4.3Å; T315-F323 PolarHBondContact N-O 3.45Å; T315-F323 PolarHBondContact O-N 3.03Å; L317-F323 HydrophobicContact CD1-CB 4.42Å; F323-L333 HydrophobicContact CB-CD1 4.28Å; F323-L333 HydrophobicContact CD2-CD1 4.38Å; F323-F353 HydrophobicContact CD2-CE2 4.48Å; F323-F353 HydrophobicContact CE2-CD2 4.1Å; F323-F353 AromaticContact CE2-CE2 4Å; F323-F353 HydrophobicContact CE2-CE2 4Å |
| 324 | V | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 99.3 | 178 | -175.5 | 0 | 0 | 0 | 0 | 107.8 | T308 A311 L314 V322 S326 S331 Q332 V334 | T308-V324 HydrophobicContact CG2-CG2 4.19Å; A311-V324 HydrophobicContact CB-CG1 3.74Å; L314-V324 HydrophobicContact CD2-CB 4.34Å; L314-V324 HydrophobicContact CD2-CG1 4.13Å; L314-V324 HydrophobicContact CD2-CG2 3.91Å; V322-V324 HydrophobicContact CG1-CG2 4.33Å; V324-S326 PolarHBondContact O-N 3.35Å; V324-S331 CarbonylContact O-C 3.56Å; V324-S331 WeakPolarHBondContact O-CA 3.4Å; V324-S331 WeakPolarHBondContact O-CB 3.39Å; V324-Q332 HydrophobicContact CB-CB 4.42Å; V324-Q332 PolarHBondContact N-O 3.06Å; V324-Q332 PolarHBondContact O-N 2.83Å; V324-V334 HydrophobicContact CG2-CB 4.35Å; V324-V334 HydrophobicContact CG2-CG2 3.83Å |
| 325 | G | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 113.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | E312 C313 | E312-G325 PolarHBondContact N-O 3.5Å; C313-G325 PolarHBondContact N-O 3.02Å; C313-G325 VanDerWaalsContact N-O 3.1Å; C313-G325 PolarHBondContact O-N 2.78Å |
| 326 | S | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -106.6 | 135.9 | 177.9 | -171.1 | 0 | 0 | 0 | 0 | 111 | V15 I310 V324 G329 S331 N355 | V15-S326 PolarHBondContact N-O 2.94Å; I310-S326 WeakPolarHBondContact O-CA 3.24Å; I310-S326 WeakPolarHBondContact O-CB 3.36Å; I310-S326 PolarHBondContact O-OG 2.73Å; V324-S326 PolarHBondContact O-N 3.35Å; S326-G329 VanDerWaalsContact CB-O 3.25Å; S326-G329 WeakPolarHBondContact CB-O 3.46Å; S326-G329 PolarHBondContact OG-N 3.47Å; S326-G329 PolarHBondContact OG-O 2.78Å; S326-S331 PolarHBondContact N-OG 2.92Å; S326-S331 PolarHBondContact O-OG 2.93Å; S326-N355 PolarHBondContact O-ND2 3.3Å | ||
| 327 | R | 96.4 | Very high | 95.4 | Very high | 75 Ų | 75 | 26 Ų | 26 | 28% | 0.283 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -92.9 | -31.3 | 172.5 | -166.8 | 176.9 | 73.3 | 91.4 | -3.2 | 112.3 | A14 E312 N355 | A14-R327 HydrophobicContact CB-CG 4.06Å; E312-R327 HydrophobicContact CB-CB 3.93Å; E312-R327 HydrophobicContact CG-CB 4.02Å; E312-R327 WeakPolarHBondContact OE2-CB 3.48Å; E312-R327 IonicContact OE2-NE 3.98Å; E312-R327 PolarHBondContact OE2-NE 3.17Å; E312-R327 VanDerWaalsContact OE2-NE 3.09Å; R327-N355 PolarHBondContact O-ND2 2.8Å; R327-N355 VanDerWaalsContact O-ND2 3.07Å |
| 328 | L | 96.2 | Very high | 95.3 | Very high | 22 Ų | 22 | 32 Ų | 32 | 12% | 0.115 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -99.9 | -7.1 | -174 | -60.9 | -179.8 | 0 | 0 | 0 | 113.8 | I310 P358 G380 A381 F382 E384 | I310-L328 HydrophobicContact CG2-CD1 4.47Å; L328-P358 HydrophobicContact CD2-CG 4.25Å; L328-G380 CarbonylContact O-C 3.56Å; L328-G380 WeakPolarHBondContact O-CA 3.5Å; L328-A381 HydrophobicContact CB-CB 4.3Å; L328-A381 HydrophobicContact CD1-CB 4.35Å; L328-A381 HydrophobicContact CD2-CB 4.25Å; L328-A381 PolarHBondContact O-N 3.31Å; L328-A381 VanDerWaalsContact O-N 3.13Å; L328-F382 HydrophobicContact CD1-CD2 4.21Å; L328-F382 HydrophobicContact CD1-CE2 4.18Å; L328-E384 WeakPolarHBondContact O-CB 3.35Å |
| 329 | G | 94.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -156 | -173.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S326 S331 N355 | S326-G329 VanDerWaalsContact CB-O 3.25Å; S326-G329 WeakPolarHBondContact CB-O 3.46Å; S326-G329 PolarHBondContact OG-N 3.47Å; S326-G329 PolarHBondContact OG-O 2.78Å; G329-S331 PolarHBondContact O-N 2.79Å; G329-N355 WeakPolarHBondContact O-CB 3.26Å; G329-N355 PolarHBondContact O-ND2 2.78Å |
| 330 | D | 97.2 | Very high | 95.5 | Very high | 26 Ų | 26 | 31.8 Ų | 31.8 | 14% | 0.139 | 17% | 0.174 | C | C | . | . | trans | -65.1 | 136 | -179.8 | -68.9 | -14.4 | 0 | 0 | 0 | 110.4 | S309 T352 F353 N355 R388 | S309-D330 WeakPolarHBondContact CB-O 3.38Å; S309-D330 PolarHBondContact OG-O 2.85Å; D330-T352 HydrophobicContact CB-CG2 3.39Å; D330-F353 WeakPolarHBondContact CA-O 3.38Å; D330-F353 WeakPolarHBondContact CB-O 3.34Å; D330-N355 PolarHBondContact OD1-N 2.61Å; D330-R388 VanDerWaalsContact CG-NH2 3.28Å; D330-R388 IonicContact OD1-CZ 3.87Å; D330-R388 VanDerWaalsContact OD1-CZ 3.27Å; D330-R388 IonicContact OD1-NH1 3.44Å; D330-R388 PolarHBondContact OD1-NH1 3.5Å; D330-R388 IonicContact OD1-NH2 3.92Å; D330-R388 PolarHBondContact OD1-NH2 2.98Å; D330-R388 IonicContact OD2-CZ 3.87Å; D330-R388 IonicContact OD2-NH1 2.78Å; D330-R388 PolarHBondContact OD2-NH1 2.89Å; D330-R388 IonicContact OD2-NH2 3.64Å; D330-R388 PolarHBondContact OD2-NH2 3.45Å | ||
| 331 | S | 97.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 152.2 | 174.1 | -65.4 | 0 | 0 | 0 | 0 | 109.7 | V15 V324 S326 G329 T352 F353 | V15-S331 WeakPolarHBondContact CG2-OG 3.47Å; V324-S331 CarbonylContact O-C 3.56Å; V324-S331 WeakPolarHBondContact O-CA 3.4Å; V324-S331 WeakPolarHBondContact O-CB 3.39Å; S326-S331 PolarHBondContact N-OG 2.92Å; S326-S331 PolarHBondContact O-OG 2.93Å; G329-S331 PolarHBondContact O-N 2.79Å; S331-T352 CarbonylContact O-C 3.55Å; S331-T352 WeakPolarHBondContact O-CA 3.39Å; S331-F353 PolarHBondContact N-O 3.25Å; S331-F353 PolarHBondContact O-N 3.33Å |
| 332 | Q | 96.2 | Very high | 95.1 | Very high | 26 Ų | 26 | 42.8 Ų | 42.8 | 12% | 0.121 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 149.4 | -172.2 | -68.7 | 175.7 | -9.8 | 0 | 0 | 112.5 | S309 V324 V334 V349 E351 T352 | S309-Q332 WeakPolarHBondContact OG-CG 3.45Å; S309-Q332 PolarHBondContact OG-NE2 2.83Å; S309-Q332 PolarHBondContact OG-OE1 2.99Å; V324-Q332 HydrophobicContact CB-CB 4.42Å; V324-Q332 PolarHBondContact N-O 3.06Å; V324-Q332 PolarHBondContact O-N 2.83Å; Q332-V334 HydrophobicContact CB-CG2 4.03Å; Q332-V349 HydrophobicContact CG-CG1 4.4Å; Q332-E351 CarbonylContact C-O 3.57Å; Q332-E351 WeakPolarHBondContact CA-O 3.39Å; Q332-T352 HydrophobicContact CG-CG2 4.17Å |
| 333 | L | 95.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.4 | 161.5 | -162.5 | 68.1 | 0 | 0 | 0 | 108.2 | L49 L317 V321 F323 M350 E351 F353 | L49-L333 HydrophobicContact CD1-CD1 4.23Å; L317-L333 HydrophobicContact CD1-CD1 3.83Å; V321-L333 HydrophobicContact CG1-CD1 3.6Å; V321-L333 HydrophobicContact CG1-CD2 4.09Å; V321-L333 HydrophobicContact CG1-CG 3.65Å; F323-L333 HydrophobicContact CB-CD1 4.28Å; F323-L333 HydrophobicContact CD2-CD1 4.38Å; L333-M350 HydrophobicContact CB-CB 4.45Å; L333-M350 WeakPolarHBondContact O-CA 3.38Å; L333-M350 WeakPolarHBondContact O-CB 3.39Å; L333-M350 PolarHBondContact O-N 3.25Å; L333-E351 HydrophobicContact CB-CB 4.09Å; L333-E351 PolarHBondContact N-O 2.58Å; L333-E351 PolarHBondContact O-N 2.66Å; L333-F353 HydrophobicContact CB-CE2 4.39Å |
| 334 | V | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 135.9 | -169.9 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | T308 V321 V322 V324 Q332 L336 V347 | T308-V334 HydrophobicContact CG2-CG1 4.34Å; T308-V334 HydrophobicContact CG2-CG2 4.05Å; V321-V334 CarbonylContact C-O 3.53Å; V321-V334 WeakPolarHBondContact CA-O 3.23Å; V322-V334 PolarHBondContact N-O 3.13Å; V322-V334 PolarHBondContact O-N 2.84Å; V324-V334 HydrophobicContact CG2-CB 4.35Å; V324-V334 HydrophobicContact CG2-CG2 3.83Å; Q332-V334 HydrophobicContact CB-CG2 4.03Å; V334-L336 HydrophobicContact CG1-CD2 4.47Å; V334-V347 HydrophobicContact CG1-CB 4.4Å; V334-V347 HydrophobicContact CG1-CG1 3.59Å; V334-V347 HydrophobicContact CG1-CG2 4.47Å |
| 335 | K | 94.9 | Very high | 93.9 | Very high | 62 Ų | 62 | 54.3 Ų | 54.3 | 27% | 0.27 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 130.5 | 169.6 | -172.1 | 72.5 | 178.6 | 85.5 | 0 | 110.5 | N319 G320 V321 T348 M350 | N319-K335 WeakPolarHBondContact O-CE 3.36Å; N319-K335 PolarHBondContact O-NZ 2.82Å; G320-K335 CarbonylContact O-C 3.59Å; V321-K335 HydrophobicContact CG2-CD 3.81Å; K335-T348 PolarHBondContact N-O 2.79Å; K335-T348 PolarHBondContact O-N 3.5Å; K335-M350 HydrophobicContact CB-CG 3.9Å; K335-M350 HydrophobicContact CB-SD 3.85Å; K335-M350 HydrophobicContact CD-SD 4.35Å |
| 336 | L | 95.3 | Very high | 93.8 | Very high | 21 Ų | 21 | 57.9 Ų | 57.9 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 116.7 | 165.8 | -55.6 | -177.9 | 0 | 0 | 0 | 108.7 | L272 L280 M282 L305 G320 V322 V334 Y346 V347 | L272-L336 HydrophobicContact CD2-CD1 4.07Å; L280-L336 HydrophobicContact CD2-CD2 3.89Å; M282-L336 HydrophobicContact CE-CD1 4.35Å; L305-L336 HydrophobicContact CD1-CD1 4.19Å; L305-L336 HydrophobicContact CD1-CD2 3.95Å; G320-L336 WeakPolarHBondContact O-CB 3.48Å; G320-L336 PolarHBondContact O-N 2.85Å; V322-L336 HydrophobicContact CG2-CD1 3.74Å; V322-L336 HydrophobicContact CG2-CG 4Å; V334-L336 HydrophobicContact CG1-CD2 4.47Å; L336-Y346 WeakPolarHBondContact CA-O 3.41Å; L336-V347 HydrophobicContact CD2-CG2 4.05Å |
| 337 | N | 94.4 | Very high | 93.7 | Very high | 61 Ų | 61 | 58.4 Ų | 58.4 | 33% | 0.326 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -86.7 | 152.8 | 174.3 | -63.3 | -33.7 | 0 | 0 | 0 | 110.1 | D339 Y346 T348 | N337-D339 WeakPolarHBondContact CB-O 3.44Å; N337-Y346 PolarHBondContact N-O 2.9Å; N337-Y346 WeakPolarHBondContact O-CD1 3.38Å; N337-T348 PolarHBondContact ND2-OG1 2.92Å |
| 338 | V | 92.1 | Very high | 93.6 | Very high | 135 Ų | 135 | 57.8 Ų | 57.8 | 82% | 0.818 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -76.9 | -38.8 | 174.7 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | Y346 | V338-Y346 WeakPolarHBondContact O-CE1 3.43Š|
| 339 | D | 92.2 | Very high | 93.4 | Very high | 133 Ų | 133 | 60 Ų | 60 | 71% | 0.711 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -97.5 | 141.5 | 176.8 | -58.2 | -54.4 | 0 | 0 | 0 | 110.3 | N337 | N337-D339 WeakPolarHBondContact CB-O 3.44Š|
| 340 | S | 91.7 | Very high | 93.1 | Very high | 61 Ų | 61 | 64.8 Ų | 64.8 | 43% | 0.427 | 35% | 0.35 | S | S | . | . | trans | -69.2 | 143.7 | 174.5 | 62 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 341 | N | 90.9 | Very high | 92.7 | Very high | 59 Ų | 59 | 67.8 Ų | 67.8 | 32% | 0.316 | 36% | 0.363 | S | S | . | . | trans | -71.6 | -178.9 | 171.4 | 73.9 | 10.9 | 0 | 0 | 0 | 112.2 | Q343 G344 S345 | N341-Q343 PolarHBondContact O-N 3.17Å; N341-Q343 WeakPolarHBondContact OD1-CA 3.23Å; N341-Q343 WeakPolarHBondContact OD1-CB 3.3Å; N341-Q343 PolarHBondContact OD1-N 3.21Å; N341-G344 PolarHBondContact O-N 2.89Å; N341-G344 PolarHBondContact OD1-N 2.85Å; N341-G344 VanDerWaalsContact OD1-N 3.12Å; N341-S345 WeakPolarHBondContact CB-O 3.46Å; N341-S345 PolarHBondContact N-O 3.44Å; N341-S345 PolarHBondContact OD1-N 2.84Å; N341-S345 PolarHBondContact OD1-O 2.77Å | ||
| 342 | E | 87.9 | Confident | 92.4 | Very high | 207 Ų | 207 | 70.9 Ų | 70.9 | 97% | 0.967 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -22.5 | -179.2 | -62.7 | -173.4 | 171.2 | 0 | 0 | 114.2 | ||
| 343 | Q | 86.1 | Confident | 92.2 | Very high | 177 Ų | 177 | 72.4 Ų | 72.4 | 83% | 0.827 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 1.4 | 179.4 | -62 | 171.5 | -12.5 | 0 | 0 | 112.6 | N341 | N341-Q343 PolarHBondContact O-N 3.17Å; N341-Q343 WeakPolarHBondContact OD1-CA 3.23Å; N341-Q343 WeakPolarHBondContact OD1-CB 3.3Å; N341-Q343 PolarHBondContact OD1-N 3.21Å |
| 344 | G | 88.7 | Confident | 92.1 | Very high | 45 Ų | 45 | 74.7 Ų | 74.7 | 46% | 0.464 | 40% | 0.403 | S | S | . | . | S | Bend | trans | 80.6 | 11.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | N341 | N341-G344 PolarHBondContact O-N 2.89Å; N341-G344 PolarHBondContact OD1-N 2.85Å; N341-G344 VanDerWaalsContact OD1-N 3.12Å |
| 345 | S | 92.8 | Very high | 92.1 | Very high | 23 Ų | 23 | 74.8 Ų | 74.8 | 16% | 0.161 | 40% | 0.403 | C | S | . | . | trans | -93.2 | 137.4 | 176.8 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | L305 N341 V347 | L305-S345 PolarHBondContact O-OG 3.15Å; N341-S345 WeakPolarHBondContact CB-O 3.46Å; N341-S345 PolarHBondContact N-O 3.44Å; N341-S345 PolarHBondContact OD1-N 2.84Å; N341-S345 PolarHBondContact OD1-O 2.77Å; S345-V347 PolarHBondContact OG-N 3.3Å; S345-V347 VanDerWaalsContact OG-N 3.15Å; S345-V347 PolarHBondContact OG-O 2.84Å | ||
| 346 | Y | 95 | Very high | 92.2 | Very high | 76 Ų | 76 | 71.8 Ų | 71.8 | 30% | 0.298 | 39% | 0.39 | S | S | . | . | trans | -92.4 | -6.3 | 173.7 | -61.4 | -89.4 | 0 | 0 | 0 | 112.3 | L305 L336 N337 V338 | L305-Y346 HydrophobicContact CD2-CD2 4.41Å; L305-Y346 PolarHBondContact O-N 3.16Å; L336-Y346 WeakPolarHBondContact CA-O 3.41Å; N337-Y346 PolarHBondContact N-O 2.9Å; N337-Y346 WeakPolarHBondContact O-CD1 3.38Å; V338-Y346 WeakPolarHBondContact O-CE1 3.43Å | ||
| 347 | V | 95.3 | Very high | 92.2 | Very high | 11 Ų | 11 | 70.8 Ų | 70.8 | 7% | 0.067 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 130.2 | -174.9 | 166.5 | 0 | 0 | 0 | 0 | 110.3 | L280 L305 E307 T308 V334 L336 S345 | L280-V347 HydrophobicContact CD2-CG2 4Å; L305-V347 HydrophobicContact CB-CG2 4.05Å; E307-V347 WeakPolarHBondContact O-CG1 3.21Å; T308-V347 HydrophobicContact CG2-CG1 3.92Å; T308-V347 HydrophobicContact CG2-CG2 4.49Å; V334-V347 HydrophobicContact CG1-CB 4.4Å; V334-V347 HydrophobicContact CG1-CG1 3.59Å; V334-V347 HydrophobicContact CG1-CG2 4.47Å; L336-V347 HydrophobicContact CD2-CG2 4.05Å; S345-V347 PolarHBondContact OG-N 3.3Å; S345-V347 VanDerWaalsContact OG-N 3.15Å; S345-V347 PolarHBondContact OG-O 2.84Å |
| 348 | T | 93.8 | Very high | 92.4 | Very high | 61 Ų | 61 | 68.6 Ų | 68.6 | 37% | 0.374 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 122.8 | 171.2 | -58.7 | 0 | 0 | 0 | 0 | 109.4 | K335 N337 M350 | K335-T348 PolarHBondContact N-O 2.79Å; K335-T348 PolarHBondContact O-N 3.5Å; N337-T348 PolarHBondContact ND2-OG1 2.92Å; T348-M350 PolarHBondContact O-N 2.92Å |
| 349 | V | 92.9 | Very high | 92.7 | Very high | 70 Ų | 70 | 62.2 Ų | 62.2 | 42% | 0.424 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 126.7 | 177.1 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | Q332 | Q332-V349 HydrophobicContact CG-CG1 4.4Å |
| 350 | M | 89.3 | Confident | 92.9 | Very high | 99 Ų | 99 | 57.9 Ų | 57.9 | 49% | 0.488 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -48.9 | 176.4 | -62.8 | -179.2 | 63.1 | 0 | 0 | 111.2 | V321 L333 K335 T348 | V321-M350 HydrophobicContact CG1-SD 4.09Å; V321-M350 HydrophobicContact CG2-SD 4Å; L333-M350 HydrophobicContact CB-CB 4.45Å; L333-M350 WeakPolarHBondContact O-CA 3.38Å; L333-M350 WeakPolarHBondContact O-CB 3.39Å; L333-M350 PolarHBondContact O-N 3.25Å; K335-M350 HydrophobicContact CB-CG 3.9Å; K335-M350 HydrophobicContact CB-SD 3.85Å; K335-M350 HydrophobicContact CD-SD 4.35Å; T348-M350 PolarHBondContact O-N 2.92Å |
| 351 | E | 88.5 | Confident | 93.2 | Very high | 90 Ų | 90 | 55.8 Ų | 55.8 | 42% | 0.421 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 151 | -174.9 | -165.5 | 175.5 | -175.3 | 0 | 0 | 110 | Q332 L333 F353 | Q332-E351 CarbonylContact C-O 3.57Å; Q332-E351 WeakPolarHBondContact CA-O 3.39Å; L333-E351 HydrophobicContact CB-CB 4.09Å; L333-E351 PolarHBondContact N-O 2.58Å; L333-E351 PolarHBondContact O-N 2.66Å; E351-F353 HydrophobicContact CB-CZ 4.41Å; E351-F353 HydrophobicContact CG-CE1 4.14Å; E351-F353 HydrophobicContact CG-CZ 3.99Å |
| 352 | T | 90.4 | Very high | 93.6 | Very high | 67 Ų | 67 | 53.3 Ų | 53.3 | 41% | 0.411 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 133.3 | -179.2 | -58.6 | 0 | 0 | 0 | 0 | 109.5 | D330 S331 Q332 | D330-T352 HydrophobicContact CB-CG2 3.39Å; S331-T352 CarbonylContact O-C 3.55Å; S331-T352 WeakPolarHBondContact O-CA 3.39Å; Q332-T352 HydrophobicContact CG-CG2 4.17Å |
| 353 | F | 92.2 | Very high | 94 | Very high | 59 Ų | 59 | 44.4 Ų | 44.4 | 26% | 0.259 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123.2 | -178.7 | -53.2 | -77.7 | 0 | 0 | 0 | 110.1 | L49 F323 D330 S331 L333 E351 N355 | L49-F353 HydrophobicContact CD1-CZ 4.37Å; F323-F353 HydrophobicContact CD2-CE2 4.48Å; F323-F353 HydrophobicContact CE2-CD2 4.1Å; F323-F353 AromaticContact CE2-CE2 4Å; F323-F353 HydrophobicContact CE2-CE2 4Å; D330-F353 WeakPolarHBondContact CA-O 3.38Å; D330-F353 WeakPolarHBondContact CB-O 3.34Å; S331-F353 PolarHBondContact N-O 3.25Å; S331-F353 PolarHBondContact O-N 3.33Å; L333-F353 HydrophobicContact CB-CE2 4.39Å; E351-F353 HydrophobicContact CB-CZ 4.41Å; E351-F353 HydrophobicContact CG-CE1 4.14Å; E351-F353 HydrophobicContact CG-CZ 3.99Å; F353-N355 PolarHBondContact O-N 3.4Å |
| 354 | T | 93.2 | Very high | 94.3 | Very high | 52 Ų | 52 | 38 Ų | 38 | 32% | 0.319 | 22% | 0.217 | S | C | . | . | trans | -56 | 128.8 | -176.8 | -55.2 | 0 | 0 | 0 | 0 | 112.8 | L356 I712 | T354-L356 HydrophobicContact CG2-CD2 4.44Å; T354-I712 HydrophobicContact CG2-CB 4.38Å; T354-I712 HydrophobicContact CG2-CD1 4.09Å; T354-I712 HydrophobicContact CG2-CG2 3.89Å | ||
| 355 | N | 97.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | trans | -123.9 | 120.7 | 170.1 | -174.1 | 10.5 | 0 | 0 | 0 | 110.5 | T13 A14 S326 R327 G329 D330 F353 G357 R388 | T13-N355 PolarHBondContact OG1-OD1 2.83Å; A14-N355 WeakPolarHBondContact CA-OD1 3.47Å; A14-N355 PolarHBondContact N-OD1 2.78Å; S326-N355 PolarHBondContact O-ND2 3.3Å; R327-N355 PolarHBondContact O-ND2 2.8Å; R327-N355 VanDerWaalsContact O-ND2 3.07Å; G329-N355 WeakPolarHBondContact O-CB 3.26Å; G329-N355 PolarHBondContact O-ND2 2.78Å; D330-N355 PolarHBondContact OD1-N 2.61Å; F353-N355 PolarHBondContact O-N 3.4Å; N355-G357 PolarHBondContact ND2-O 2.92Å; N355-G357 WeakPolarHBondContact OD1-CA 3.42Å; N355-G357 PolarHBondContact OD1-N 2.89Å; N355-R388 PolarHBondContact O-NH2 3.39Å | ||
| 356 | L | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -84.7 | -17 | 173.4 | -59.4 | -179.9 | 0 | 0 | 0 | 111.8 | Q10 T13 T354 P358 I359 S379 R388 I390 I712 I1037 | Q10-L356 HydrophobicContact CG-CD1 3.79Å; T13-L356 PolarHBondContact OG1-N 2.87Å; T354-L356 HydrophobicContact CG2-CD2 4.44Å; L356-P358 CarbonylContact O-C 3.58Å; L356-I359 HydrophobicContact CB-CD1 4.22Å; L356-I359 HydrophobicContact CB-CG1 4.21Å; L356-I359 VanDerWaalsContact O-CG1 3.22Å; L356-I359 WeakPolarHBondContact O-CG1 3.5Å; L356-I359 PolarHBondContact O-N 2.87Å; L356-S379 WeakPolarHBondContact O-CB 3.38Å; L356-S379 PolarHBondContact O-OG 3.28Å; L356-R388 HydrophobicContact CD2-CB 3.61Å; L356-R388 HydrophobicContact CD2-CG 3.63Å; L356-I390 HydrophobicContact CD1-CG1 4.42Å; L356-I390 HydrophobicContact CD2-CD1 4.29Å; L356-I390 HydrophobicContact CD2-CG1 4.39Å; L356-I712 HydrophobicContact CD1-CD1 4.17Å; L356-I712 HydrophobicContact CD2-CD1 4.14Å; L356-I712 HydrophobicContact CD2-CG2 3.79Å; L356-I712 HydrophobicContact CG-CD1 4.35Å; L356-I1037 HydrophobicContact CD1-CD1 4.01Å; L356-I1037 HydrophobicContact CD1-CG1 4.48Å | ||
| 357 | G | 94.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -82.4 | 144.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N355 | N355-G357 PolarHBondContact ND2-O 2.92Å; N355-G357 WeakPolarHBondContact OD1-CA 3.42Å; N355-G357 PolarHBondContact OD1-N 2.89Å | ||
| 358 | P | 98.1 | Very high | 91.2 | Very high | 15 Ų | 15 | 38.9 Ų | 38.9 | 10% | 0.097 | 21% | 0.212 | C | C | . | . | S | Bend | cis | -74.2 | 133.5 | -14.3 | 28.9 | -34.6 | 0 | 0 | 0 | 112.6 | L328 L356 V360 S379 G380 V1033 | L328-P358 HydrophobicContact CD2-CG 4.25Å; L356-P358 CarbonylContact O-C 3.58Å; P358-V360 HydrophobicContact CB-CG2 4.47Å; P358-V360 HydrophobicContact CG-CG2 4.39Å; P358-V360 PolarHBondContact O-N 2.93Å; P358-S379 WeakPolarHBondContact O-CA 3.35Å; P358-G380 PolarHBondContact O-N 3.16Å; P358-V1033 WeakPolarHBondContact CA-O 3.15Å; P358-V1033 HydrophobicContact CB-CG1 4.33Å |
| 359 | I | 98.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 103.9 | 166 | -59.4 | 171.1 | 0 | 0 | 0 | 106.7 | L356 M362 T377 N1005 V1006 T1032 I1037 | L356-I359 HydrophobicContact CB-CD1 4.22Å; L356-I359 HydrophobicContact CB-CG1 4.21Å; L356-I359 VanDerWaalsContact O-CG1 3.22Å; L356-I359 WeakPolarHBondContact O-CG1 3.5Å; L356-I359 PolarHBondContact O-N 2.87Å; I359-M362 HydrophobicContact CG2-CB 4.38Å; I359-M362 HydrophobicContact CG2-SD 4.27Å; I359-T377 HydrophobicContact CD1-CG2 4.36Å; I359-T377 HydrophobicContact CG1-CG2 4.34Å; I359-T377 HydrophobicContact CG2-CG2 3.9Å; I359-N1005 VanDerWaalsContact O-CB 3.3Å; I359-N1005 WeakPolarHBondContact O-CB 3.32Å; I359-N1005 PolarHBondContact O-ND2 3.1Å; I359-V1006 HydrophobicContact CG2-CG1 4.2Å; I359-T1032 PolarHBondContact N-O 2.84Å; I359-I1037 HydrophobicContact CD1-CD1 4.21Å; I359-I1037 HydrophobicContact CD1-CG1 3.61Å |
| 360 | V | 97.8 | Very high | 88.7 | Confident | 42 Ų | 42 | 45.8 Ų | 45.8 | 26% | 0.255 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -38.6 | -176.3 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | P358 C378 R722 | P358-V360 HydrophobicContact CB-CG2 4.47Å; P358-V360 HydrophobicContact CG-CG2 4.39Å; P358-V360 PolarHBondContact O-N 2.93Å; V360-C378 HydrophobicContact CB-CB 4.36Å; V360-C378 PolarHBondContact N-O 2.6Å; V360-R722 WeakPolarHBondContact CG1-O 3.11Å |
| 361 | D | 98.4 | Very high | 87.5 | Confident | 18 Ų | 18 | 42.7 Ų | 42.7 | 10% | 0.096 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 160.1 | 178 | -161.5 | 17.3 | 0 | 0 | 0 | 109.8 | T377 C378 R723 I724 | D361-T377 WeakPolarHBondContact O-CA 3.39Å; D361-C378 HydrophobicContact CB-CB 4.31Å; D361-C378 PolarHBondContact O-N 3.44Å; D361-R723 IonicContact OD1-NH1 3.64Å; D361-R723 WeakPolarHBondContact OD2-CA 3.48Å; D361-R723 WeakPolarHBondContact OD2-CB 3.31Å; D361-R723 WeakPolarHBondContact OD2-CD 3.29Å; D361-I724 HydrophobicContact CB-CG2 4.32Å; D361-I724 PolarHBondContact OD2-N 2.78Å |
| 362 | M | 97.7 | Very high | 86.8 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 3% | 0.034 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 154 | 178 | 72 | -164.7 | -170.8 | 0 | 0 | 113.2 | I359 L375 V376 T377 V1006 C1008 L1029 F1030 | I359-M362 HydrophobicContact CG2-CB 4.38Å; I359-M362 HydrophobicContact CG2-SD 4.27Å; M362-L375 HydrophobicContact CB-CD2 3.75Å; M362-L375 HydrophobicContact CB-CG 4.41Å; M362-L375 HydrophobicContact CE-CD1 4.28Å; M362-L375 HydrophobicContact CG-CD2 4.18Å; M362-L375 HydrophobicContact SD-CD1 3.92Å; M362-L375 HydrophobicContact SD-CD2 3.9Å; M362-L375 HydrophobicContact SD-CG 4.32Å; M362-V376 VanDerWaalsContact CA-O 3.28Å; M362-V376 WeakPolarHBondContact CA-O 3.47Å; M362-T377 HydrophobicContact CB-CG2 3.99Å; M362-V1006 HydrophobicContact CB-CG1 4.32Å; M362-V1006 HydrophobicContact CE-CG1 4.12Å; M362-V1006 HydrophobicContact CG-CG1 3.62Å; M362-V1006 HydrophobicContact CG-CG2 4.06Å; M362-V1006 HydrophobicContact SD-CG1 3.74Å; M362-C1008 VanDerWaalsContact CE-SG 3.52Å; M362-L1029 VanDerWaalsContact CE-C 3.5Å; M362-L1029 HydrophobicContact CE-CB 3.91Å; M362-L1029 WeakPolarHBondContact CE-O 3.16Å; M362-F1030 VanDerWaalsContact CE-C 3.48Å; M362-F1030 VanDerWaalsContact CE-CA 3.46Å |
| 363 | C | 96 | Very high | 86.3 | Confident | 19 Ų | 19 | 36.5 Ų | 36.5 | 13% | 0.128 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 147.6 | 170.8 | 66.3 | 0 | 0 | 0 | 0 | 111.5 | L375 V376 I724 | C363-L375 WeakPolarHBondContact O-CA 3.41Å; C363-V376 PolarHBondContact N-O 3.37Å; C363-V376 PolarHBondContact O-N 2.96Å; C363-I724 HydrophobicContact CB-CG2 4.48Å |
| 364 | V | 94.2 | Very high | 86.1 | Confident | 42 Ų | 42 | 34.4 Ų | 34.4 | 26% | 0.255 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 127.4 | 173.3 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | Q374 L375 L1029 | V364-Q374 CarbonylContact C-O 3.2Å; V364-Q374 WeakPolarHBondContact CA-O 3.33Å; V364-L375 HydrophobicContact CG2-CD1 4.34Å; V364-L375 HydrophobicContact CG2-CG 4.43Å; V364-L1029 HydrophobicContact CG2-CD1 4.01Å |
| 365 | V | 89.2 | Confident | 86.1 | Confident | 9 Ų | 9 | 31.9 Ų | 31.9 | 6% | 0.055 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 142.4 | -177.1 | -68.2 | 0 | 0 | 0 | 0 | 110.6 | L367 Q374 V376 Y726 F733 | V365-L367 HydrophobicContact CB-CD2 4.34Å; V365-L367 HydrophobicContact CG2-CD2 4.12Å; V365-L367 HydrophobicContact CG2-CG 4.02Å; V365-Q374 PolarHBondContact N-O 2.68Å; V365-Q374 PolarHBondContact O-N 2.84Å; V365-V376 HydrophobicContact CG2-CG2 3.94Å; V365-Y726 HydrophobicContact CB-CD1 4.46Å; V365-Y726 HydrophobicContact CG1-CD1 3.62Å; V365-Y726 HydrophobicContact CG1-CD2 4.22Å; V365-Y726 HydrophobicContact CG1-CE1 4.33Å; V365-Y726 HydrophobicContact CG1-CG 3.55Å; V365-F733 HydrophobicContact CG1-CE1 4.02Å; V365-F733 HydrophobicContact CG2-CE1 4.27Å; V365-F733 HydrophobicContact CG2-CZ 4.12Å |
| 366 | D | 80 | Confident | 86 | Confident | 55 Ų | 55 | 31.9 Ų | 31.9 | 29% | 0.294 | 17% | 0.165 | S | C | . | . | trans | -108.7 | 84.7 | 170.7 | -178.4 | 5.5 | 0 | 0 | 0 | 108.6 | E368 R369 Q370 G371 | D366-E368 VanDerWaalsContact C-N 3.28Å; D366-E368 PolarHBondContact O-N 3.31Å; D366-E368 PolarHBondContact OD1-N 3.47Å; D366-R369 VanDerWaalsContact CG-CA 3.46Å; D366-R369 PolarHBondContact O-N 2.82Å; D366-R369 VanDerWaalsContact OD1-CA 3.31Å; D366-R369 WeakPolarHBondContact OD1-CA 3.33Å; D366-R369 PolarHBondContact OD1-N 3.31Å; D366-R369 VanDerWaalsContact OD2-CA 3.26Å; D366-R369 WeakPolarHBondContact OD2-CA 3.31Å; D366-Q370 PolarHBondContact OD1-N 2.85Å; D366-Q370 VanDerWaalsContact OD1-N 3.15Å; D366-Q370 PolarHBondContact OD2-N 3.47Å; D366-Q370 VanDerWaalsContact OD2-N 3.16Å; D366-G371 WeakPolarHBondContact OD2-CA 3.2Å; D366-G371 PolarHBondContact OD2-N 2.59Å | ||
| 367 | L | 71.3 | Confident | 86.1 | Confident | 32 Ų | 32 | 31.9 Ų | 31.9 | 17% | 0.168 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -65 | -33.9 | -177.2 | -62.5 | 177.8 | 0 | 0 | 0 | 111.9 | V365 Y726 F733 Q796 | V365-L367 HydrophobicContact CB-CD2 4.34Å; V365-L367 HydrophobicContact CG2-CD2 4.12Å; V365-L367 HydrophobicContact CG2-CG 4.02Å; L367-Y726 HydrophobicContact CD2-CE2 4.16Å; L367-F733 HydrophobicContact CD2-CZ 4.17Å; L367-Q796 HydrophobicContact CD2-CB 4.19Å |
| 368 | E | 65.9 | Low | 86.3 | Confident | 78 Ų | 78 | 31.9 Ų | 31.9 | 36% | 0.364 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -90.2 | -7.9 | -176.4 | -63.3 | 177.9 | -172.2 | 0 | 0 | 112.7 | D366 Q370 R391 | D366-E368 VanDerWaalsContact C-N 3.28Å; D366-E368 PolarHBondContact O-N 3.31Å; D366-E368 PolarHBondContact OD1-N 3.47Å; E368-Q370 HydrophobicContact CB-CG 3.81Å; E368-Q370 PolarHBondContact O-N 3.41Å; E368-Q370 PolarHBondContact OE2-NE2 3Å; E368-R391 IonicContact OE1-CZ 3.05Å; E368-R391 VanDerWaalsContact OE1-CZ 3.29Å; E368-R391 IonicContact OE1-NH1 3.3Å; E368-R391 PolarHBondContact OE1-NH1 3.33Å; E368-R391 IonicContact OE1-NH2 2.94Å; E368-R391 PolarHBondContact OE1-NH2 2.97Å; E368-R391 IonicContact OE2-CZ 3.92Å; E368-R391 IonicContact OE2-NH1 3.47Å; E368-R391 IonicContact OE2-NH2 3.58Å; E368-R391 PolarHBondContact OE2-NH2 3.05Å |
| 369 | R | 69.6 | Low | 86.3 | Confident | 178 Ų | 178 | 31.1 Ų | 31.1 | 67% | 0.672 | 16% | 0.16 | S | C | * | . | trans | 54.1 | 35.6 | -175.7 | -62.4 | -178 | 169 | 177.6 | -1.7 | 113 | D366 E728 | D366-R369 VanDerWaalsContact CG-CA 3.46Å; D366-R369 PolarHBondContact O-N 2.82Å; D366-R369 VanDerWaalsContact OD1-CA 3.31Å; D366-R369 WeakPolarHBondContact OD1-CA 3.33Å; D366-R369 PolarHBondContact OD1-N 3.31Å; D366-R369 VanDerWaalsContact OD2-CA 3.26Å; D366-R369 WeakPolarHBondContact OD2-CA 3.31Å; R369-E728 IonicContact CZ-OE1 2.94Å; R369-E728 IonicContact NE-OE1 3.7Å; R369-E728 IonicContact NH2-OE1 3Å; R369-E728 PolarHBondContact NH2-OE1 2.9Å | ||
| 370 | Q | 64.3 | Low | 86.2 | Confident | 99 Ų | 99 | 31.2 Ų | 31.2 | 46% | 0.463 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -96.5 | -0 | -178.2 | -64.7 | -178.8 | 21.9 | 0 | 0 | 112.8 | D366 E368 Q372 | D366-Q370 PolarHBondContact OD1-N 2.85Å; D366-Q370 VanDerWaalsContact OD1-N 3.15Å; D366-Q370 PolarHBondContact OD2-N 3.47Å; D366-Q370 VanDerWaalsContact OD2-N 3.16Å; E368-Q370 HydrophobicContact CB-CG 3.81Å; E368-Q370 PolarHBondContact O-N 3.41Å; E368-Q370 PolarHBondContact OE2-NE2 3Å; Q370-Q372 VanDerWaalsContact C-N 3.32Å |
| 371 | G | 64.8 | Low | 86.1 | Confident | 33 Ų | 33 | 30 Ų | 30 | 34% | 0.34 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 80 | 14.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D366 L1014 Q1015 | D366-G371 WeakPolarHBondContact OD2-CA 3.2Å; D366-G371 PolarHBondContact OD2-N 2.59Å; G371-L1014 WeakPolarHBondContact O-CA 3.39Å; G371-Q1015 PolarHBondContact O-N 2.81Å; G371-Q1015 VanDerWaalsContact O-N 3.11Å |
| 372 | Q | 72.4 | Confident | 86 | Confident | 19 Ų | 19 | 32.8 Ų | 32.8 | 9% | 0.089 | 17% | 0.167 | C | C | . | . | trans | -109.4 | 113.6 | 175.4 | -169.4 | 179.9 | 11.3 | 0 | 0 | 109.7 | Q370 N392 L1014 | Q370-Q372 VanDerWaalsContact C-N 3.32Å; Q372-N392 PolarHBondContact NE2-O 3.02Å; Q372-L1014 HydrophobicContact CB-CD1 4.29Å | ||
| 373 | G | 80.8 | Confident | 85.9 | Confident | 9 Ų | 9 | 33.3 Ų | 33.3 | 9% | 0.093 | 17% | 0.169 | C | C | . | . | trans | -69.1 | 135.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1011 | G373-S1011 WeakPolarHBondContact CA-O 3.38Š| ||
| 374 | Q | 86.9 | Confident | 85.9 | Confident | 14 Ų | 14 | 33.8 Ų | 33.8 | 7% | 0.065 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 147 | 163.9 | -58.3 | -178.2 | 16.2 | 0 | 0 | 108.1 | V364 V365 R391 | V364-Q374 CarbonylContact C-O 3.2Å; V364-Q374 WeakPolarHBondContact CA-O 3.33Å; V365-Q374 PolarHBondContact N-O 2.68Å; V365-Q374 PolarHBondContact O-N 2.84Å; Q374-R391 HydrophobicContact CG-CB 4.42Å; Q374-R391 HydrophobicContact CG-CG 4.3Å |
| 375 | L | 94.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 124.6 | -178.2 | -165.5 | 155.9 | 0 | 0 | 0 | 109 | M362 C363 V364 T377 I389 I390 L1012 L1029 | M362-L375 HydrophobicContact CB-CD2 3.75Å; M362-L375 HydrophobicContact CB-CG 4.41Å; M362-L375 HydrophobicContact CE-CD1 4.28Å; M362-L375 HydrophobicContact CG-CD2 4.18Å; M362-L375 HydrophobicContact SD-CD1 3.92Å; M362-L375 HydrophobicContact SD-CD2 3.9Å; M362-L375 HydrophobicContact SD-CG 4.32Å; C363-L375 WeakPolarHBondContact O-CA 3.41Å; V364-L375 HydrophobicContact CG2-CD1 4.34Å; V364-L375 HydrophobicContact CG2-CG 4.43Å; L375-T377 HydrophobicContact CD2-CG2 3.14Å; L375-I389 CarbonylContact O-C 3.19Å; L375-I389 WeakPolarHBondContact O-CA 3.35Å; L375-I390 HydrophobicContact CB-CB 4.4Å; L375-I390 HydrophobicContact CD2-CD1 3.99Å; L375-I390 PolarHBondContact N-O 2.7Å; L375-I390 PolarHBondContact O-N 3.17Å; L375-L1012 HydrophobicContact CB-CD2 3.8Å; L375-L1029 HydrophobicContact CD1-CB 4.43Å; L375-L1029 HydrophobicContact CD1-CD1 3.81Å |
| 376 | V | 95.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 120.4 | 175.2 | -171.1 | 0 | 0 | 0 | 0 | 108 | M362 C363 V365 R388 I389 I724 F733 | M362-V376 VanDerWaalsContact CA-O 3.28Å; M362-V376 WeakPolarHBondContact CA-O 3.47Å; C363-V376 PolarHBondContact N-O 3.37Å; C363-V376 PolarHBondContact O-N 2.96Å; V365-V376 HydrophobicContact CG2-CG2 3.94Å; V376-R388 WeakPolarHBondContact CA-O 3.34Å; V376-I389 HydrophobicContact CG1-CG1 4.38Å; V376-I389 HydrophobicContact CG2-CG1 4.23Å; V376-I389 HydrophobicContact CG2-CG2 4.43Å; V376-I724 HydrophobicContact CB-CD1 4.04Å; V376-I724 HydrophobicContact CG1-CD1 3.49Å; V376-I724 VanDerWaalsContact CG1-CD1 3.49Å; V376-F733 HydrophobicContact CB-CE1 4.36Å; V376-F733 HydrophobicContact CG2-CE1 4Å; V376-F733 HydrophobicContact CG2-CZ 3.83Å |
| 377 | T | 97.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 146.9 | -177.3 | 59 | 0 | 0 | 0 | 0 | 111.7 | I359 D361 M362 L375 S379 L387 R388 I390 | I359-T377 HydrophobicContact CD1-CG2 4.36Å; I359-T377 HydrophobicContact CG1-CG2 4.34Å; I359-T377 HydrophobicContact CG2-CG2 3.9Å; D361-T377 WeakPolarHBondContact O-CA 3.39Å; M362-T377 HydrophobicContact CB-CG2 3.99Å; L375-T377 HydrophobicContact CD2-CG2 3.14Å; T377-S379 WeakPolarHBondContact CB-OG 3.37Å; T377-S379 PolarHBondContact OG1-OG 3.49Å; T377-L387 VanDerWaalsContact O-CA 3.27Å; T377-L387 WeakPolarHBondContact O-CA 3.27Å; T377-L387 WeakPolarHBondContact O-CD2 3.37Å; T377-R388 PolarHBondContact N-O 3.38Å; T377-R388 PolarHBondContact O-N 3.13Å; T377-R388 VanDerWaalsContact OG1-CB 3.28Å; T377-R388 WeakPolarHBondContact OG1-CB 3.28Å; T377-R388 PolarHBondContact OG1-N 3.09Å; T377-R388 PolarHBondContact OG1-O 2.86Å; T377-R388 VanDerWaalsContact OG1-O 3.13Å; T377-I390 HydrophobicContact CG2-CD1 3.69Å |
| 378 | C | 98.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 105.4 | 154 | -69.9 | 0 | 0 | 0 | 0 | 107.8 | V360 D361 P721 | V360-C378 HydrophobicContact CB-CB 4.36Å; V360-C378 PolarHBondContact N-O 2.6Å; D361-C378 HydrophobicContact CB-CB 4.31Å; D361-C378 PolarHBondContact O-N 3.44Å; C378-P721 HydrophobicContact CB-CB 3.73Å; C378-P721 HydrophobicContact CB-CG 3.93Å |
| 379 | S | 98 | Very high | 89.5 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 153.7 | -176.5 | -67.2 | 0 | 0 | 0 | 0 | 111.8 | L356 P358 T377 S386 R388 P721 | L356-S379 WeakPolarHBondContact O-CB 3.38Å; L356-S379 PolarHBondContact O-OG 3.28Å; P358-S379 WeakPolarHBondContact O-CA 3.35Å; T377-S379 WeakPolarHBondContact CB-OG 3.37Å; T377-S379 PolarHBondContact OG1-OG 3.49Å; S379-S386 CarbonylContact C-O 3.6Å; S379-S386 PolarHBondContact N-O 3.5Å; S379-S386 PolarHBondContact O-N 2.71Å; S379-R388 WeakPolarHBondContact OG-CG 3.46Å; S379-P721 WeakPolarHBondContact O-CG 3.28Å |
| 380 | G | 97.1 | Very high | 90.6 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 2% | 0.021 | 9% | 0.088 | C | C | . | . | trans | 76.1 | 178 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L328 P358 | L328-G380 CarbonylContact O-C 3.56Å; L328-G380 WeakPolarHBondContact O-CA 3.5Å; P358-G380 PolarHBondContact O-N 3.16Å | ||
| 381 | A | 96.2 | Very high | 91.5 | Very high | 15 Ų | 15 | 13 Ų | 13 | 12% | 0.124 | 7% | 0.073 | C | C | . | . | trans | -143.9 | 156.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L328 K383 E384 G385 | L328-A381 HydrophobicContact CB-CB 4.3Å; L328-A381 HydrophobicContact CD1-CB 4.35Å; L328-A381 HydrophobicContact CD2-CB 4.25Å; L328-A381 PolarHBondContact O-N 3.31Å; L328-A381 VanDerWaalsContact O-N 3.13Å; A381-K383 PolarHBondContact O-N 2.88Å; A381-E384 WeakPolarHBondContact O-CB 3.36Å; A381-E384 PolarHBondContact O-N 2.86Å; A381-G385 PolarHBondContact O-N 2.72Å | ||
| 382 | F | 95.8 | Very high | 92.4 | Very high | 77 Ų | 77 | 12.6 Ų | 12.6 | 34% | 0.338 | 6% | 0.063 | S | C | . | . | G | 310 helix | trans | 52 | -126.5 | -179.9 | -50.9 | -72 | 0 | 0 | 0 | 111 | I310 L328 E384 G385 Y718 E719 S720 V740 | I310-F382 HydrophobicContact CD1-CB 4Å; I310-F382 HydrophobicContact CD1-CD2 4.15Å; L328-F382 HydrophobicContact CD1-CD2 4.21Å; L328-F382 HydrophobicContact CD1-CE2 4.18Å; F382-E384 PolarHBondContact O-N 3.41Å; F382-G385 PolarHBondContact O-N 3.5Å; F382-Y718 CarbonylContact O-C 3.42Å; F382-E719 CarbonylContact O-C 3.57Å; F382-E719 VanDerWaalsContact O-C 3.23Å; F382-E719 WeakPolarHBondContact O-CA 3.33Å; F382-E719 PolarHBondContact O-N 2.89Å; F382-S720 WeakPolarHBondContact CA-OG 3.23Å; F382-S720 PolarHBondContact N-OG 2.83Å; F382-V740 HydrophobicContact CD1-CG2 4.22Å |
| 383 | K | 95.5 | Very high | 92.7 | Very high | 18 Ų | 18 | 11.8 Ų | 11.8 | 8% | 0.078 | 6% | 0.059 | C | C | . | . | G | 310 helix | trans | -66.1 | -18.9 | 179.6 | 83.3 | -166.4 | -167 | 72.2 | 0 | 113.8 | E277 E307 T308 I310 A381 G385 Y718 | E277-K383 WeakPolarHBondContact O-CD 3.5Å; E277-K383 WeakPolarHBondContact O-CE 3.37Å; E307-K383 WeakPolarHBondContact OE1-CD 3.32Å; E307-K383 WeakPolarHBondContact OE1-CE 3.38Å; E307-K383 IonicContact OE1-NZ 3.23Å; E307-K383 PolarHBondContact OE1-NZ 3.15Å; T308-K383 WeakPolarHBondContact O-CE 3.33Å; T308-K383 PolarHBondContact O-NZ 2.86Å; I310-K383 HydrophobicContact CD1-CD 4.47Å; I310-K383 HydrophobicContact CD1-CG 4.14Å; I310-K383 HydrophobicContact CG1-CD 4.09Å; I310-K383 HydrophobicContact CG1-CG 4.12Å; A381-K383 PolarHBondContact O-N 2.88Å; K383-G385 VanDerWaalsContact C-N 3.33Å; K383-Y718 WeakPolarHBondContact O-CA 3.27Å |
| 384 | E | 96.8 | Very high | 92.9 | Very high | 30 Ų | 30 | 11.3 Ų | 11.3 | 14% | 0.14 | 6% | 0.055 | C | C | . | . | G | 310 helix | trans | -91.3 | 0.9 | 179.3 | -51.7 | -56.7 | 153.5 | 0 | 0 | 112.6 | S309 I310 L328 A381 F382 S386 | S309-E384 WeakPolarHBondContact CA-OE1 3.37Å; I310-E384 HydrophobicContact CB-CG 4.32Å; I310-E384 HydrophobicContact CD1-CG 3.92Å; I310-E384 HydrophobicContact CG1-CG 3.87Å; I310-E384 PolarHBondContact N-OE1 2.75Å; L328-E384 WeakPolarHBondContact O-CB 3.35Å; A381-E384 WeakPolarHBondContact O-CB 3.36Å; A381-E384 PolarHBondContact O-N 2.86Å; F382-E384 PolarHBondContact O-N 3.41Å; E384-S386 PolarHBondContact O-N 2.91Å; E384-S386 PolarHBondContact O-OG 2.93Å |
| 385 | G | 97.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.01 | 6% | 0.056 | C | C | . | . | trans | -59.2 | 131.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A381 F382 K383 L717 Y718 E719 | A381-G385 PolarHBondContact O-N 2.72Å; F382-G385 PolarHBondContact O-N 3.5Å; K383-G385 VanDerWaalsContact C-N 3.33Å; G385-L717 WeakPolarHBondContact O-CA 3.46Å; G385-L717 WeakPolarHBondContact O-CB 3.14Å; G385-L717 PolarHBondContact O-N 2.88Å; G385-Y718 PolarHBondContact O-N 3.34Å; G385-E719 VanDerWaalsContact CA-O 3.32Å; G385-E719 WeakPolarHBondContact CA-O 3.36Å | ||
| 386 | S | 97.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 12.2 Ų | 12.2 | 2% | 0.021 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 158.4 | -172 | 52.7 | 0 | 0 | 0 | 0 | 111.9 | S379 E384 R388 V715 | S379-S386 CarbonylContact C-O 3.6Å; S379-S386 PolarHBondContact N-O 3.5Å; S379-S386 PolarHBondContact O-N 2.71Å; E384-S386 PolarHBondContact O-N 2.91Å; E384-S386 PolarHBondContact O-OG 2.93Å; S386-R388 PolarHBondContact OG-NE 2.87Å; S386-R388 PolarHBondContact OG-NH2 2.91Å; S386-V715 CarbonylContact C-O 3.56Å; S386-V715 VanDerWaalsContact CA-O 3.26Å; S386-V715 WeakPolarHBondContact CA-O 3.41Å; S386-V715 WeakPolarHBondContact CB-O 3.46Å |
| 387 | L | 96.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 136.3 | 162.3 | -55.1 | 175.7 | 0 | 0 | 0 | 109.3 | T377 V715 L717 P721 I724 V735 V794 | T377-L387 VanDerWaalsContact O-CA 3.27Å; T377-L387 WeakPolarHBondContact O-CA 3.27Å; T377-L387 WeakPolarHBondContact O-CD2 3.37Å; L387-V715 HydrophobicContact CB-CB 4.24Å; L387-V715 PolarHBondContact N-O 2.79Å; L387-V715 PolarHBondContact O-N 2.88Å; L387-L717 HydrophobicContact CD2-CD1 4.14Å; L387-L717 HydrophobicContact CG-CD1 4.02Å; L387-L717 HydrophobicContact CG-CD2 4.45Å; L387-L717 HydrophobicContact CG-CG 4.43Å; L387-P721 HydrophobicContact CD2-CB 4.5Å; L387-I724 HydrophobicContact CD2-CD1 4.42Å; L387-V735 HydrophobicContact CD1-CG2 4.14Å; L387-V735 HydrophobicContact CD2-CG1 4.24Å; L387-V735 HydrophobicContact CD2-CG2 4.31Å; L387-V794 HydrophobicContact CD1-CG1 4.47Å |
| 388 | R | 94.3 | Very high | 91 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 2% | 0.015 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 127.4 | 173.4 | -46.7 | -73.6 | 176.5 | 142.1 | 10.5 | 109.4 | D330 N355 L356 V376 T377 S379 S386 I390 I712 R713 T714 | D330-R388 VanDerWaalsContact CG-NH2 3.28Å; D330-R388 IonicContact OD1-CZ 3.87Å; D330-R388 VanDerWaalsContact OD1-CZ 3.27Å; D330-R388 IonicContact OD1-NH1 3.44Å; D330-R388 PolarHBondContact OD1-NH1 3.5Å; D330-R388 IonicContact OD1-NH2 3.92Å; D330-R388 PolarHBondContact OD1-NH2 2.98Å; D330-R388 IonicContact OD2-CZ 3.87Å; D330-R388 IonicContact OD2-NH1 2.78Å; D330-R388 PolarHBondContact OD2-NH1 2.89Å; D330-R388 IonicContact OD2-NH2 3.64Å; D330-R388 PolarHBondContact OD2-NH2 3.45Å; N355-R388 PolarHBondContact O-NH2 3.39Å; L356-R388 HydrophobicContact CD2-CB 3.61Å; L356-R388 HydrophobicContact CD2-CG 3.63Å; V376-R388 WeakPolarHBondContact CA-O 3.34Å; T377-R388 PolarHBondContact N-O 3.38Å; T377-R388 PolarHBondContact O-N 3.13Å; T377-R388 VanDerWaalsContact OG1-CB 3.28Å; T377-R388 WeakPolarHBondContact OG1-CB 3.28Å; T377-R388 PolarHBondContact OG1-N 3.09Å; T377-R388 PolarHBondContact OG1-O 2.86Å; T377-R388 VanDerWaalsContact OG1-O 3.13Å; S379-R388 WeakPolarHBondContact OG-CG 3.46Å; S386-R388 PolarHBondContact OG-NE 2.87Å; S386-R388 PolarHBondContact OG-NH2 2.91Å; R388-I390 HydrophobicContact CB-CD1 4.1Å; R388-I712 HydrophobicContact CB-CG2 4.16Å; R388-R713 CarbonylContact C-O 3.46Å; R388-R713 WeakPolarHBondContact CA-O 3.45Å; R388-T714 WeakPolarHBondContact CD-OG1 3.25Å; R388-T714 PolarHBondContact NH1-OG1 2.89Å |
| 389 | I | 90.4 | Very high | 90.6 | Very high | 8 Ų | 8 | 27.3 Ų | 27.3 | 4% | 0.041 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 113.6 | 176.1 | -54.4 | 82.8 | 0 | 0 | 0 | 107.1 | L375 V376 I712 R713 V715 F799 | L375-I389 CarbonylContact O-C 3.19Å; L375-I389 WeakPolarHBondContact O-CA 3.35Å; V376-I389 HydrophobicContact CG1-CG1 4.38Å; V376-I389 HydrophobicContact CG2-CG1 4.23Å; V376-I389 HydrophobicContact CG2-CG2 4.43Å; I389-I712 WeakPolarHBondContact O-CA 3.44Å; I389-R713 HydrophobicContact CB-CB 4.26Å; I389-R713 HydrophobicContact CD1-CB 4.37Å; I389-R713 HydrophobicContact CD1-CG 4.37Å; I389-R713 PolarHBondContact N-O 2.68Å; I389-R713 PolarHBondContact O-N 3.25Å; I389-V715 HydrophobicContact CD1-CG2 3.77Å; I389-F799 HydrophobicContact CD1-CD1 4.19Å; I389-F799 HydrophobicContact CD1-CE1 3.83Å; I389-F799 HydrophobicContact CD1-CE2 4.25Å; I389-F799 HydrophobicContact CD1-CZ 3.87Å; I389-F799 HydrophobicContact CG1-CE1 3.76Å; I389-F799 HydrophobicContact CG1-CE2 4.21Å; I389-F799 HydrophobicContact CG1-CZ 3.54Å |
| 390 | I | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 119.7 | -179.1 | -58.3 | 97.5 | 0 | 0 | 0 | 108.4 | L356 L375 T377 R388 L710 I712 L1012 I1037 | L356-I390 HydrophobicContact CD1-CG1 4.42Å; L356-I390 HydrophobicContact CD2-CD1 4.29Å; L356-I390 HydrophobicContact CD2-CG1 4.39Å; L375-I390 HydrophobicContact CB-CB 4.4Å; L375-I390 HydrophobicContact CD2-CD1 3.99Å; L375-I390 PolarHBondContact N-O 2.7Å; L375-I390 PolarHBondContact O-N 3.17Å; T377-I390 HydrophobicContact CG2-CD1 3.69Å; R388-I390 HydrophobicContact CB-CD1 4.1Å; I390-L710 HydrophobicContact CG2-CB 4.09Å; I390-L710 HydrophobicContact CG2-CD1 4.02Å; I390-L710 HydrophobicContact CG2-CD2 4.45Å; I390-L710 HydrophobicContact CG2-CG 4.42Å; I390-I712 HydrophobicContact CG1-CG1 4.16Å; I390-L1012 HydrophobicContact CG2-CD1 4.42Å; I390-I1037 HydrophobicContact CD1-CD1 4.14Å; I390-I1037 HydrophobicContact CG1-CD1 4.27Å |
| 391 | R | 84.1 | Confident | 89.9 | Confident | 41 Ų | 41 | 31.6 Ų | 31.6 | 16% | 0.155 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 139.2 | 177.8 | -178.3 | 179.8 | -178.4 | 158.7 | 11.7 | 109.4 | E368 Q374 N672 L710 H711 | E368-R391 IonicContact OE1-CZ 3.05Å; E368-R391 VanDerWaalsContact OE1-CZ 3.29Å; E368-R391 IonicContact OE1-NH1 3.3Å; E368-R391 PolarHBondContact OE1-NH1 3.33Å; E368-R391 IonicContact OE1-NH2 2.94Å; E368-R391 PolarHBondContact OE1-NH2 2.97Å; E368-R391 IonicContact OE2-CZ 3.92Å; E368-R391 IonicContact OE2-NH1 3.47Å; E368-R391 IonicContact OE2-NH2 3.58Å; E368-R391 PolarHBondContact OE2-NH2 3.05Å; Q374-R391 HydrophobicContact CG-CB 4.42Å; Q374-R391 HydrophobicContact CG-CG 4.3Å; R391-N672 PolarHBondContact NE-ND2 3.26Å; R391-L710 CarbonylContact O-C 3.6Å; R391-L710 WeakPolarHBondContact O-CA 3.21Å; R391-H711 PolarHBondContact N-O 2.94Å; R391-H711 PolarHBondContact O-N 2.6Å |
| 392 | N | 83.3 | Confident | 89.7 | Confident | 24 Ų | 24 | 33 Ų | 33 | 13% | 0.128 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 133.6 | 172.2 | -165.9 | -5.3 | 0 | 0 | 0 | 110.5 | Q372 N672 K709 L710 L1012 | Q372-N392 PolarHBondContact NE2-O 3.02Å; N392-N672 PolarHBondContact O-ND2 3.39Å; N392-N672 PolarHBondContact O-OD1 3.09Å; N392-K709 PolarHBondContact OD1-O 2.88Å; N392-L710 HydrophobicContact CB-CD2 3.92Å; N392-L1012 HydrophobicContact CB-CB 4.35Å; N392-L1012 WeakPolarHBondContact CB-O 3.36Å |
| 393 | G | 79.4 | Confident | 89.5 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | 89.1 | 164.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N670 N672 K709 | G393-N670 CarbonylContact C-O 3.56Å; G393-N670 WeakPolarHBondContact CA-O 3.29Å; G393-N672 PolarHBondContact O-ND2 2.83Å; G393-K709 PolarHBondContact N-O 2.82Å |
| 394 | I | 83.4 | Confident | 89.2 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -89.5 | 126.4 | -177.1 | -59.8 | 166.9 | 0 | 0 | 0 | 108.8 | V658 N670 V671 N672 I704 D705 I707 Q708 | I394-V658 HydrophobicContact CD1-CB 3.8Å; I394-V658 HydrophobicContact CD1-CG1 4.41Å; I394-V658 HydrophobicContact CD1-CG2 3.91Å; I394-N670 PolarHBondContact N-O 3.27Å; I394-V671 CarbonylContact O-C 3.34Å; I394-V671 WeakPolarHBondContact O-CA 3.01Å; I394-N672 PolarHBondContact O-N 2.9Å; I394-I704 HydrophobicContact CG2-CD1 4.01Å; I394-I704 HydrophobicContact CG2-CG1 3.59Å; I394-D705 HydrophobicContact CG2-CB 4.05Å; I394-I707 HydrophobicContact CD1-CB 4.27Å; I394-I707 HydrophobicContact CD1-CG1 4.47Å; I394-I707 HydrophobicContact CD1-CG2 3.81Å; I394-Q708 WeakPolarHBondContact CG1-O 3.47Å |
| 395 | G | 81.2 | Confident | 88.9 | Confident | 9 Ų | 9 | 39.3 Ų | 39.3 | 9% | 0.093 | 21% | 0.211 | C | C | . | . | trans | -81.5 | 160.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D705 | G395-D705 WeakPolarHBondContact CA-OD2 3.27Å; G395-D705 PolarHBondContact N-OD2 3.04Å; G395-D705 VanDerWaalsContact N-OD2 3.15Å; G395-D705 WeakPolarHBondContact O-CB 3.45Å; G395-D705 PolarHBondContact O-N 2.85Å; G395-D705 VanDerWaalsContact O-N 3.09Å | ||
| 396 | I | 84.3 | Confident | 88.6 | Confident | 24 Ų | 24 | 40.8 Ų | 40.8 | 12% | 0.123 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 125.4 | 169.6 | -62 | -144.5 | 0 | 0 | 0 | 107.8 | E398 V671 L673 L693 T703 | I396-E398 PolarHBondContact O-N 2.92Å; I396-V671 HydrophobicContact CD1-CG1 3.9Å; I396-V671 HydrophobicContact CG1-CG1 3.72Å; I396-L673 HydrophobicContact CB-CD1 4.42Å; I396-L673 HydrophobicContact CD1-CD1 4.01Å; I396-L673 HydrophobicContact CG1-CD1 4.16Å; I396-L693 HydrophobicContact CD1-CD1 3.47Å; I396-L693 VanDerWaalsContact CD1-CD1 3.47Å; I396-L693 HydrophobicContact CD1-CD2 4.32Å; I396-L693 HydrophobicContact CG2-CD1 3.9Å; I396-T703 WeakPolarHBondContact CA-O 3.17Å |
| 397 | H | 85 | Confident | 88.5 | Confident | 106 Ų | 106 | 40.7 Ų | 40.7 | 49% | 0.491 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 99.5 | 174.6 | -76.2 | -73 | 0 | 0 | 0 | 109.1 | H399 G702 T703 D705 | H397-H399 PolarHBondContact O-CD2 2.86Å; H397-H399 PolarHBondContact O-N 2.81Å; H397-G702 CarbonylContact O-C 3.58Å; H397-G702 WeakPolarHBondContact O-CA 3.49Å; H397-T703 PolarHBondContact N-O 2.96Å; H397-T703 PolarHBondContact O-N 3.03Å; H397-T703 VanDerWaalsContact O-N 3.11Å; H397-D705 IonicContact CD2-OD1 2.75Å; H397-D705 PolarHBondContact CD2-OD1 2.78Å; H397-D705 IonicContact NE2-OD1 2.71Å; H397-D705 PolarHBondContact NE2-OD1 3.18Å |
| 398 | E | 85.9 | Confident | 88.4 | Confident | 114 Ų | 114 | 44.4 Ų | 44.4 | 53% | 0.533 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 119 | -179.2 | -55.8 | -170.9 | 167 | 0 | 0 | 110.9 | I396 T700 | I396-E398 PolarHBondContact O-N 2.92Å; E398-T700 HydrophobicContact CB-CG2 4Å; E398-T700 HydrophobicContact CG-CG2 3.68Å |
| 399 | H | 89.1 | Confident | 88.4 | Confident | 96 Ų | 96 | 44.3 Ų | 44.3 | 44% | 0.444 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -38.2 | 175.6 | -63 | 172.9 | 0 | 0 | 0 | 111.5 | H397 Y687 I701 | H397-H399 PolarHBondContact O-CD2 2.86Å; H397-H399 PolarHBondContact O-N 2.81Å; H399-Y687 HydrophobicContact CB-CD1 3.93Å; H399-Y687 HydrophobicContact CB-CE1 3.84Å; H399-I701 PolarHBondContact N-O 2.83Å |
| 400 | A | 89.8 | Confident | 88.7 | Confident | 20 Ų | 20 | 44.1 Ų | 44.1 | 17% | 0.165 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 147 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y687 T700 I701 | A400-Y687 HydrophobicContact CB-CE1 4.23Å; A400-T700 CarbonylContact O-C 3.52Å; A400-T700 WeakPolarHBondContact O-CA 3.12Å; A400-T700 WeakPolarHBondContact O-CG2 3.41Å; A400-I701 HydrophobicContact CB-CB 4.33Å; A400-I701 PolarHBondContact N-O 2.75Å; A400-I701 PolarHBondContact O-N 3.18Å |
| 401 | S | 91.3 | Very high | 88.9 | Confident | 72 Ų | 72 | 44.8 Ų | 44.8 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 128.9 | 175.6 | -172.5 | 0 | 0 | 0 | 0 | 109.6 | L699 | S401-L699 WeakPolarHBondContact CA-O 3.5Å |
| 402 | I | 92.3 | Very high | 89.4 | Confident | 45 Ų | 45 | 44.2 Ų | 44.2 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 125.8 | -172.7 | -50.5 | 173.4 | 0 | 0 | 0 | 108.5 | L404 V443 T698 L699 | I402-L404 HydrophobicContact CG2-CD1 3.91Å; I402-L404 HydrophobicContact CG2-CG 3.93Å; I402-L404 PolarHBondContact O-N 3.44Å; I402-V443 HydrophobicContact CD1-CB 4.04Å; I402-V443 HydrophobicContact CD1-CG1 3.8Å; I402-V443 HydrophobicContact CD1-CG2 4.16Å; I402-T698 CarbonylContact O-C 3.57Å; I402-T698 WeakPolarHBondContact O-CA 3.49Å; I402-L699 HydrophobicContact CB-CB 4.43Å; I402-L699 HydrophobicContact CD1-CD2 4.32Å; I402-L699 PolarHBondContact N-O 2.99Å; I402-L699 PolarHBondContact O-N 2.89Å |
| 403 | D | 90.8 | Very high | 89.9 | Confident | 136 Ų | 136 | 43.1 Ų | 43.1 | 73% | 0.727 | 24% | 0.24 | S | C | * | . | trans | -77.5 | 85.3 | -179.4 | -71.2 | -35.7 | 0 | 0 | 0 | 111.9 | T698 | D403-T698 VanDerWaalsContact OD1-CG2 3.24Å; D403-T698 WeakPolarHBondContact OD1-CG2 3.43Å | ||
| 404 | L | 89.1 | Confident | 90.5 | Very high | 32 Ų | 32 | 46.9 Ų | 46.9 | 17% | 0.168 | 25% | 0.253 | C | S | . | . | trans | -122.9 | 98 | 177.1 | -73.3 | 171.7 | 0 | 0 | 0 | 111.2 | I402 I407 L427 L436 S697 L699 | I402-L404 HydrophobicContact CG2-CD1 3.91Å; I402-L404 HydrophobicContact CG2-CG 3.93Å; I402-L404 PolarHBondContact O-N 3.44Å; L404-I407 HydrophobicContact CB-CD1 3.96Å; L404-I407 HydrophobicContact CB-CG1 4.45Å; L404-I407 WeakPolarHBondContact O-CD1 3.41Å; L404-L427 HydrophobicContact CD1-CD2 3.78Å; L404-L436 HydrophobicContact CD1-CD1 4.37Å; L404-S697 CarbonylContact C-O 3.58Å; L404-S697 PolarHBondContact N-O 3.34Å; L404-L699 HydrophobicContact CD1-CD2 4.37Å | ||
| 405 | P | 91.5 | Very high | 90.7 | Very high | 89 Ų | 89 | 47.2 Ų | 47.2 | 58% | 0.578 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 148.7 | -177.8 | 30.4 | -34.9 | 0 | 0 | 0 | 112.7 | F429 N696 | P405-F429 WeakPolarHBondContact O-CE1 3.38Å; P405-N696 WeakPolarHBondContact CA-O 3.43Å |
| 406 | G | 91.2 | Very high | 90.9 | Very high | 32 Ų | 32 | 51.7 Ų | 51.7 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 24 | 168 | 0 | 0 | 0 | 0 | 0 | 116.1 | N696 | G406-N696 PolarHBondContact N-O 2.7Š|
| 407 | I | 94.9 | Very high | 90.5 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | trans | -62.5 | 137.4 | 174.6 | -62.4 | 164.1 | 0 | 0 | 0 | 110.4 | L404 L410 L427 S428 F429 Y678 A694 L699 | L404-I407 HydrophobicContact CB-CD1 3.96Å; L404-I407 HydrophobicContact CB-CG1 4.45Å; L404-I407 WeakPolarHBondContact O-CD1 3.41Å; I407-L410 HydrophobicContact CG2-CD2 3.8Å; I407-L410 HydrophobicContact CG2-CG 4.05Å; I407-L427 HydrophobicContact CD1-CD2 3.76Å; I407-L427 HydrophobicContact CG1-CD2 4.07Å; I407-S428 CarbonylContact C-O 3.45Å; I407-F429 HydrophobicContact CG1-CE1 3.81Å; I407-F429 HydrophobicContact CG1-CZ 4.05Å; I407-Y678 WeakPolarHBondContact O-CD2 3.32Å; I407-Y678 VanDerWaalsContact O-CE2 3.25Å; I407-Y678 WeakPolarHBondContact O-CE2 3.41Å; I407-A694 HydrophobicContact CB-CB 3.88Å; I407-A694 HydrophobicContact CD1-CB 3.69Å; I407-A694 HydrophobicContact CG1-CB 4.39Å; I407-A694 HydrophobicContact CG2-CB 3.73Å; I407-L699 HydrophobicContact CD1-CB 3.88Å | ||
| 408 | K | 93.8 | Very high | 90 | Very high | 78 Ų | 78 | 50.7 Ų | 50.7 | 34% | 0.339 | 30% | 0.295 | S | S | . | . | trans | -120.6 | 2.3 | -178.4 | -63.3 | -58.2 | -179.3 | -168.9 | 0 | 114.1 | S428 V430 Y678 | K408-S428 PolarHBondContact N-O 3.29Å; K408-V430 HydrophobicContact CG-CG2 4.06Å; K408-Y678 VanDerWaalsContact C-CZ 3.47Å; K408-Y678 VanDerWaalsContact CA-CE2 3.4Å; K408-Y678 HydrophobicContact CD-CE2 4.36Å; K408-Y678 WeakPolarHBondContact O-CE1 3.19Å; K408-Y678 VanDerWaalsContact O-CZ 3.23Å | ||
| 409 | G | 94.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.6 | 150.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L427 S428 | G409-L427 WeakPolarHBondContact O-CA 3.28Å; G409-S428 PolarHBondContact O-N 2.79Å |
| 410 | L | 95.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 135.5 | -179.3 | -62.9 | 172.2 | 0 | 0 | 0 | 108.7 | I407 V426 L427 C680 A692 A694 L699 | I407-L410 HydrophobicContact CG2-CD2 3.8Å; I407-L410 HydrophobicContact CG2-CG 4.05Å; L410-V426 WeakPolarHBondContact CA-O 3.45Å; L410-L427 HydrophobicContact CD2-CB 4.47Å; L410-L427 HydrophobicContact CD2-CD2 3.98Å; L410-L427 HydrophobicContact CD2-CG 3.86Å; L410-C680 HydrophobicContact CB-CB 4.25Å; L410-A692 HydrophobicContact CD1-CB 4.42Å; L410-A694 HydrophobicContact CD1-CB 3.71Å; L410-A694 HydrophobicContact CG-CB 4.27Å; L410-L699 HydrophobicContact CD1-CD1 3.89Å; L410-L699 HydrophobicContact CD2-CD1 3.95Å |
| 411 | W | 96.3 | Very high | 89.8 | Confident | 14 Ų | 14 | 55.3 Ų | 55.3 | 5% | 0.053 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 132.3 | 174.1 | -58 | -85.7 | 0 | 0 | 0 | 111.8 | V426 T457 F458 Y459 C460 | W411-V426 HydrophobicContact CE3-CG1 4.33Å; W411-V426 PolarHBondContact N-O 2.82Å; W411-V426 VanDerWaalsContact N-O 3.07Å; W411-V426 PolarHBondContact O-N 2.81Å; W411-T457 HydrophobicContact CE3-CG2 4.25Å; W411-T457 HydrophobicContact CH2-CG2 4.21Å; W411-T457 VanDerWaalsContact CH2-O 3.29Å; W411-T457 WeakPolarHBondContact CH2-O 3.4Å; W411-T457 HydrophobicContact CZ3-CG2 3.84Å; W411-F458 VanDerWaalsContact CZ2-C 3.49Å; W411-F458 WeakPolarHBondContact CZ2-O 3.48Å; W411-Y459 AromaticContact NE1-CD2 3.83Å; W411-C460 WeakPolarHBondContact CB-O 3.41Å; W411-C460 VanDerWaalsContact CB-SG 3.55Å |
| 412 | P | 95.4 | Very high | 89.9 | Confident | 30 Ų | 30 | 53 Ų | 53 | 20% | 0.195 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 148.5 | 172.1 | 35.1 | -37.6 | 0 | 0 | 0 | 110.6 | D422 P681 L682 | P412-D422 HydrophobicContact CB-CB 4.36Å; P412-P681 VanDerWaalsContact CG-O 3.31Å; P412-P681 WeakPolarHBondContact CG-O 3.41Å; P412-L682 HydrophobicContact CB-CD1 4.19Å |
| 413 | L | 93.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 147.6 | 178.4 | -84.5 | 147.7 | 0 | 0 | 0 | 110.4 | D423 M424 V426 F451 N462 L468 | L413-D423 PolarHBondContact O-N 2.75Å; L413-M424 HydrophobicContact CB-CB 3.95Å; L413-M424 PolarHBondContact N-O 2.9Å; L413-M424 PolarHBondContact O-N 2.72Å; L413-V426 HydrophobicContact CD1-CB 4Å; L413-V426 HydrophobicContact CD1-CG2 3.18Å; L413-F451 HydrophobicContact CD1-CE2 4.42Å; L413-N462 WeakPolarHBondContact CA-OD1 3.23Å; L413-L468 HydrophobicContact CD2-CB 4.5Å; L413-L468 HydrophobicContact CD2-CD2 3.77Å; L413-L468 HydrophobicContact CD2-CG 4.48Å |
| 414 | R | 92.4 | Very high | 90.1 | Very high | 80 Ų | 80 | 44.9 Ų | 44.9 | 30% | 0.302 | 25% | 0.252 | S | S | . | . | trans | -106.3 | 119.1 | 169 | -62.5 | 179.8 | -73 | 163.3 | -9 | 110.1 | R419 T421 D422 D423 N462 Q481 | R414-R419 PolarHBondContact NH1-O 3.03Å; R414-T421 WeakPolarHBondContact CG-O 3.39Å; R414-D422 WeakPolarHBondContact CG-OD1 3.28Å; R414-D423 WeakPolarHBondContact CA-OD1 3.34Å; R414-N462 PolarHBondContact N-OD1 3.47Å; R414-N462 PolarHBondContact O-ND2 2.86Å; R414-Q481 PolarHBondContact O-NE2 2.97Å | ||
| 415 | S | 87.6 | Confident | 90.4 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 6% | 0.056 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -70.7 | -35.4 | -179.7 | -146.1 | 0 | 0 | 0 | 0 | 112 | D423 M424 Q481 K484 | S415-D423 WeakPolarHBondContact CB-OD1 3.47Å; S415-D423 WeakPolarHBondContact CB-OD2 3.27Å; S415-D423 PolarHBondContact N-OD1 2.82Å; S415-D423 PolarHBondContact N-OD2 2.91Å; S415-M424 WeakPolarHBondContact OG-CE 3.46Å; S415-M424 PolarHBondContact OG-SD 3.43Å; S415-Q481 WeakPolarHBondContact O-CG 3.3Å; S415-K484 WeakPolarHBondContact OG-CE 3.48Å; S415-K484 PolarHBondContact OG-NZ 3.12Å |
| 416 | E | 84.1 | Confident | 90.6 | Very high | 102 Ų | 102 | 39.1 Ų | 39.1 | 48% | 0.477 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -115.5 | 138.4 | -176.1 | -64.6 | -177.1 | 164.9 | 0 | 0 | 112 | G418 R419 Q481 | E416-G418 PolarHBondContact O-N 3.48Å; E416-R419 HydrophobicContact CB-CG 4.31Å; E416-R419 PolarHBondContact O-N 3.35Å; E416-R419 IonicContact OE2-CZ 2.69Å; E416-R419 IonicContact OE2-NE 3.59Å; E416-R419 PolarHBondContact OE2-NE 2.75Å; E416-Q481 PolarHBondContact O-NE2 2.93Å |
| 417 | A | 76.6 | Confident | 90.9 | Very high | 33 Ų | 33 | 37.7 Ų | 37.7 | 27% | 0.273 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -16.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | K466 | A417-K466 HydrophobicContact CB-CB 4.25Å; A417-K466 HydrophobicContact CB-CD 3.69Å; A417-K466 HydrophobicContact CB-CG 3.87Å |
| 418 | G | 75.4 | Confident | 90.9 | Very high | 76 Ų | 76 | 37.6 Ų | 37.6 | 78% | 0.784 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -12.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E416 | E416-G418 PolarHBondContact O-N 3.48Š|
| 419 | R | 82.8 | Confident | 91 | Very high | 105 Ų | 105 | 34.7 Ų | 34.7 | 40% | 0.396 | 19% | 0.188 | S | C | . | . | trans | -92.6 | 136.6 | 179.1 | -68.6 | -177.4 | -176.6 | -150.4 | -11 | 110.6 | R414 E416 | R414-R419 PolarHBondContact NH1-O 3.03Å; E416-R419 HydrophobicContact CB-CG 4.31Å; E416-R419 PolarHBondContact O-N 3.35Å; E416-R419 IonicContact OE2-CZ 2.69Å; E416-R419 IonicContact OE2-NE 3.59Å; E416-R419 PolarHBondContact OE2-NE 2.75Å | ||
| 420 | E | 85.8 | Confident | 90.9 | Very high | 177 Ų | 177 | 39.7 Ų | 39.7 | 83% | 0.827 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -86.1 | -27.6 | 172.8 | -66.9 | -170.7 | 166.2 | 0 | 0 | 111.9 | ||
| 421 | T | 91 | Very high | 90.6 | Very high | 45 Ų | 45 | 41.6 Ų | 41.6 | 28% | 0.276 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -84 | 146.4 | 178.2 | 49.9 | 0 | 0 | 0 | 0 | 112.5 | R414 N683 | R414-T421 WeakPolarHBondContact CG-O 3.39Å; T421-N683 CarbonylContact C-O 3.55Å; T421-N683 VanDerWaalsContact CA-O 3.31Å; T421-N683 WeakPolarHBondContact CA-O 3.15Å; T421-N683 WeakPolarHBondContact CB-O 3.23Å |
| 422 | D | 93.1 | Very high | 90.5 | Very high | 24 Ų | 24 | 44.8 Ų | 44.8 | 13% | 0.128 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -70.2 | 138.4 | 171.6 | -59.6 | -40.1 | 0 | 0 | 0 | 110.4 | P412 R414 L682 N683 S684 | P412-D422 HydrophobicContact CB-CB 4.36Å; R414-D422 WeakPolarHBondContact CG-OD1 3.28Å; D422-L682 HydrophobicContact CB-CD1 4.22Å; D422-N683 PolarHBondContact N-O 3.4Å; D422-N683 PolarHBondContact OD2-N 3.44Å; D422-S684 WeakPolarHBondContact O-CA 3.32Å; D422-S684 WeakPolarHBondContact O-CB 3.38Å |
| 423 | D | 93.4 | Very high | 90.6 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.032 | 25% | 0.245 | C | C | . | . | trans | -129.8 | -2.5 | -179.5 | 61.9 | -0.7 | 0 | 0 | 0 | 112.6 | L413 R414 S415 L438 | L413-D423 PolarHBondContact O-N 2.75Å; R414-D423 WeakPolarHBondContact CA-OD1 3.34Å; S415-D423 WeakPolarHBondContact CB-OD1 3.47Å; S415-D423 WeakPolarHBondContact CB-OD2 3.27Å; S415-D423 PolarHBondContact N-OD1 2.82Å; S415-D423 PolarHBondContact N-OD2 2.91Å; D423-L438 PolarHBondContact O-N 3.03Å | ||
| 424 | M | 93.3 | Very high | 90.6 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.025 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 143.8 | 179.7 | -67.8 | -178.5 | 171.6 | 0 | 0 | 111.6 | L413 S415 V435 L436 M437 T446 L448 | L413-M424 HydrophobicContact CB-CB 3.95Å; L413-M424 PolarHBondContact N-O 2.9Å; L413-M424 PolarHBondContact O-N 2.72Å; S415-M424 WeakPolarHBondContact OG-CE 3.46Å; S415-M424 PolarHBondContact OG-SD 3.43Å; M424-V435 HydrophobicContact CB-CG1 4.41Å; M424-V435 HydrophobicContact SD-CG1 4.45Å; M424-L436 CarbonylContact C-O 3.5Å; M424-L436 WeakPolarHBondContact CA-O 3.4Å; M424-M437 HydrophobicContact CE-CE 4.28Å; M424-M437 HydrophobicContact CE-CG 4.43Å; M424-M437 HydrophobicContact CE-SD 4.26Å; M424-T446 HydrophobicContact CE-CG2 4.41Å; M424-L448 HydrophobicContact SD-CD1 3.53Å; M424-L448 VanDerWaalsContact SD-CD1 3.53Å |
| 425 | L | 95.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 118 | 175.2 | -178.5 | 66.2 | 0 | 0 | 0 | 109.7 | L436 L682 A692 L699 | L425-L436 HydrophobicContact CB-CB 4.42Å; L425-L436 PolarHBondContact N-O 2.71Å; L425-L436 PolarHBondContact O-N 3.29Å; L425-L682 HydrophobicContact CD1-CD1 4.5Å; L425-A692 HydrophobicContact CD1-CB 4.38Å; L425-A692 HydrophobicContact CD2-CB 4.17Å; L425-L699 HydrophobicContact CD2-CD2 3.95Å |
| 426 | V | 96.5 | Very high | 91 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 131.3 | 178.8 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | L410 W411 L413 T433 R434 V435 C460 | L410-V426 WeakPolarHBondContact CA-O 3.45Å; W411-V426 HydrophobicContact CE3-CG1 4.33Å; W411-V426 PolarHBondContact N-O 2.82Å; W411-V426 VanDerWaalsContact N-O 3.07Å; W411-V426 PolarHBondContact O-N 2.81Å; L413-V426 HydrophobicContact CD1-CB 4Å; L413-V426 HydrophobicContact CD1-CG2 3.18Å; V426-T433 HydrophobicContact CG1-CG2 3.46Å; V426-T433 VanDerWaalsContact CG1-CG2 3.46Å; V426-R434 WeakPolarHBondContact CA-O 3.4Å; V426-V435 HydrophobicContact CG2-CB 4.28Å; V426-V435 HydrophobicContact CG2-CG1 3.86Å; V426-V435 HydrophobicContact CG2-CG2 3.97Å; V426-C460 VanDerWaalsContact CG1-SG 3.59Å |
| 427 | L | 96.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 127.7 | 178.7 | -55.5 | 92 | 0 | 0 | 0 | 110.2 | L404 I407 G409 L410 F429 T433 R434 L436 L699 | L404-L427 HydrophobicContact CD1-CD2 3.78Å; I407-L427 HydrophobicContact CD1-CD2 3.76Å; I407-L427 HydrophobicContact CG1-CD2 4.07Å; G409-L427 WeakPolarHBondContact O-CA 3.28Å; L410-L427 HydrophobicContact CD2-CB 4.47Å; L410-L427 HydrophobicContact CD2-CD2 3.98Å; L410-L427 HydrophobicContact CD2-CG 3.86Å; L427-F429 HydrophobicContact CB-CE2 3.78Å; L427-F429 HydrophobicContact CB-CZ 4.23Å; L427-F429 HydrophobicContact CD2-CZ 4.37Å; L427-T433 CarbonylContact O-C 3.57Å; L427-T433 WeakPolarHBondContact O-CA 3.41Å; L427-R434 PolarHBondContact N-O 2.75Å; L427-R434 PolarHBondContact O-N 3.22Å; L427-L436 HydrophobicContact CD1-CB 4.33Å; L427-L436 HydrophobicContact CD1-CD1 3.42Å; L427-L436 VanDerWaalsContact CD1-CD1 3.42Å; L427-L436 HydrophobicContact CD1-CD2 4.43Å; L427-L436 HydrophobicContact CD1-CG 3.41Å; L427-L436 VanDerWaalsContact CD1-CG 3.41Å; L427-L436 HydrophobicContact CD2-CD1 4.41Å; L427-L699 HydrophobicContact CD2-CD2 3.88Å |
| 428 | S | 96.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 140.9 | 170 | -173.6 | 0 | 0 | 0 | 0 | 110.9 | I407 K408 G409 Q456 T457 | I407-S428 CarbonylContact C-O 3.45Å; K408-S428 PolarHBondContact N-O 3.29Å; G409-S428 PolarHBondContact O-N 2.79Å; S428-Q456 WeakPolarHBondContact OG-CG 3.46Å; S428-T457 WeakPolarHBondContact CB-O 3.44Å; S428-T457 PolarHBondContact OG-N 3.23Å; S428-T457 PolarHBondContact OG-O 2.87Å; S428-T457 VanDerWaalsContact OG-O 3.13Å |
| 429 | F | 94.9 | Very high | 92.8 | Very high | 17 Ų | 17 | 40.5 Ų | 40.5 | 8% | 0.075 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 176.4 | 169 | -61.8 | -90.6 | 0 | 0 | 0 | 109.6 | P405 I407 L427 G431 Q432 R434 Q456 | P405-F429 WeakPolarHBondContact O-CE1 3.38Å; I407-F429 HydrophobicContact CG1-CE1 3.81Å; I407-F429 HydrophobicContact CG1-CZ 4.05Å; L427-F429 HydrophobicContact CB-CE2 3.78Å; L427-F429 HydrophobicContact CB-CZ 4.23Å; L427-F429 HydrophobicContact CD2-CZ 4.37Å; F429-G431 PolarHBondContact O-N 3.04Å; F429-Q432 CarbonylContact C-O 3.15Å; F429-Q432 HydrophobicContact CB-CG 3.69Å; F429-Q432 HydrophobicContact CD2-CG 4.33Å; F429-Q432 HydrophobicContact CG-CG 4.34Å; F429-Q432 PolarHBondContact N-O 2.62Å; F429-Q432 VanDerWaalsContact O-O 3.1Å; F429-R434 HydrophobicContact CD2-CG 4.28Å; F429-R434 HydrophobicContact CE2-CB 4.12Å; F429-R434 HydrophobicContact CE2-CG 3.94Å; F429-Q456 WeakPolarHBondContact O-CG 3.35Å |
| 430 | V | 92.9 | Very high | 92.9 | Very high | 108 Ų | 108 | 36.9 Ų | 36.9 | 66% | 0.655 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 107.7 | 173.9 | -178.2 | 0 | 0 | 0 | 0 | 109.3 | K408 Q432 | K408-V430 HydrophobicContact CG-CG2 4.06Å; V430-Q432 PolarHBondContact O-N 3Å |
| 431 | G | 89.7 | Confident | 92.9 | Very high | 42 Ų | 42 | 35.4 Ų | 35.4 | 43% | 0.433 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 1.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | F429 N454 Q455 | F429-G431 PolarHBondContact O-N 3.04Å; G431-N454 CarbonylContact O-C 3.55Å; G431-Q455 PolarHBondContact O-N 3.19Å |
| 432 | Q | 94.2 | Very high | 92.8 | Very high | 82 Ų | 82 | 39.4 Ų | 39.4 | 38% | 0.383 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 164.5 | 178.5 | 67.8 | -176 | 16.4 | 0 | 0 | 111.8 | F429 V430 D453 Q455 | F429-Q432 CarbonylContact C-O 3.15Å; F429-Q432 HydrophobicContact CB-CG 3.69Å; F429-Q432 HydrophobicContact CD2-CG 4.33Å; F429-Q432 HydrophobicContact CG-CG 4.34Å; F429-Q432 PolarHBondContact N-O 2.62Å; F429-Q432 VanDerWaalsContact O-O 3.1Å; V430-Q432 PolarHBondContact O-N 3Å; Q432-D453 CarbonylContact C-O 3.5Å; Q432-D453 WeakPolarHBondContact CA-O 3.24Å; Q432-D453 VanDerWaalsContact CB-O 3.26Å; Q432-D453 WeakPolarHBondContact CB-O 3.28Å; Q432-Q455 CarbonylContact C-O 3.49Å; Q432-Q455 VanDerWaalsContact C-O 3.27Å |
| 433 | T | 95.5 | Very high | 92.7 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 143.2 | 176.7 | -61.3 | 0 | 0 | 0 | 0 | 108.8 | V426 L427 D453 Q455 T457 | V426-T433 HydrophobicContact CG1-CG2 3.46Å; V426-T433 VanDerWaalsContact CG1-CG2 3.46Å; L427-T433 CarbonylContact O-C 3.57Å; L427-T433 WeakPolarHBondContact O-CA 3.41Å; T433-D453 PolarHBondContact N-O 3.11Å; T433-D453 WeakPolarHBondContact O-CB 3.14Å; T433-Q455 PolarHBondContact N-O 2.89Å; T433-Q455 PolarHBondContact OG1-O 3.02Å; T433-T457 WeakPolarHBondContact CG2-OG1 3.37Å; T433-T457 WeakPolarHBondContact OG1-CB 3.42Å; T433-T457 PolarHBondContact OG1-N 2.75Å; T433-T457 PolarHBondContact OG1-OG1 2.89Å |
| 434 | R | 94.3 | Very high | 92.6 | Very high | 86 Ų | 86 | 45.4 Ų | 45.4 | 33% | 0.325 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 150.4 | 173.6 | -65.9 | -177 | 176.7 | -152.4 | 6.3 | 110.2 | V426 L427 F429 E445 | V426-R434 WeakPolarHBondContact CA-O 3.4Å; L427-R434 PolarHBondContact N-O 2.75Å; L427-R434 PolarHBondContact O-N 3.22Å; F429-R434 HydrophobicContact CD2-CG 4.28Å; F429-R434 HydrophobicContact CE2-CB 4.12Å; F429-R434 HydrophobicContact CE2-CG 3.94Å; R434-E445 WeakPolarHBondContact CD-OE1 3.27Å; R434-E445 IonicContact CZ-OE1 3.13Å; R434-E445 IonicContact CZ-OE2 3.99Å; R434-E445 IonicContact NE-OE1 2.7Å; R434-E445 PolarHBondContact NE-OE1 3.36Å; R434-E445 IonicContact NH1-OE1 2.76Å; R434-E445 PolarHBondContact NH1-OE1 3.45Å; R434-E445 IonicContact NH1-OE2 3.84Å; R434-E445 PolarHBondContact NH1-OE2 3.23Å |
| 435 | V | 94.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 129.8 | 176.5 | -167.9 | 0 | 0 | 0 | 0 | 108.4 | M424 V426 T446 L448 | M424-V435 HydrophobicContact CB-CG1 4.41Å; M424-V435 HydrophobicContact SD-CG1 4.45Å; V426-V435 HydrophobicContact CG2-CB 4.28Å; V426-V435 HydrophobicContact CG2-CG1 3.86Å; V426-V435 HydrophobicContact CG2-CG2 3.97Å; V435-T446 HydrophobicContact CB-CG2 4.09Å; V435-T446 WeakPolarHBondContact CB-O 3.26Å; V435-T446 HydrophobicContact CG1-CG2 3.88Å; V435-T446 PolarHBondContact O-N 2.96Å; V435-T446 VanDerWaalsContact O-O 3.06Å; V435-L448 HydrophobicContact CG2-CB 4.23Å |
| 436 | L | 94.3 | Very high | 92.4 | Very high | 13 Ų | 13 | 53.1 Ų | 53.1 | 7% | 0.068 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 138.6 | 170.1 | -59.9 | 177.9 | 0 | 0 | 0 | 109.1 | L404 M424 L425 L427 V443 E444 E445 L699 | L404-L436 HydrophobicContact CD1-CD1 4.37Å; M424-L436 CarbonylContact C-O 3.5Å; M424-L436 WeakPolarHBondContact CA-O 3.4Å; L425-L436 HydrophobicContact CB-CB 4.42Å; L425-L436 PolarHBondContact N-O 2.71Å; L425-L436 PolarHBondContact O-N 3.29Å; L427-L436 HydrophobicContact CD1-CB 4.33Å; L427-L436 HydrophobicContact CD1-CD1 3.42Å; L427-L436 VanDerWaalsContact CD1-CD1 3.42Å; L427-L436 HydrophobicContact CD1-CD2 4.43Å; L427-L436 HydrophobicContact CD1-CG 3.41Å; L427-L436 VanDerWaalsContact CD1-CG 3.41Å; L427-L436 HydrophobicContact CD2-CD1 4.41Å; L436-V443 HydrophobicContact CB-CG1 3.95Å; L436-V443 HydrophobicContact CD1-CG1 3.71Å; L436-V443 HydrophobicContact CD2-CG1 4.43Å; L436-V443 HydrophobicContact CG-CG1 4.23Å; L436-E444 CarbonylContact C-O 3.57Å; L436-E444 VanDerWaalsContact CA-O 3.25Å; L436-E444 WeakPolarHBondContact CA-O 3.37Å; L436-E445 HydrophobicContact CD2-CB 4.06Å; L436-E445 HydrophobicContact CD2-CG 4.4Å; L436-L699 HydrophobicContact CD1-CD2 4.19Å |
| 437 | M | 93.1 | Very high | 92.1 | Very high | 63 Ų | 63 | 60.5 Ų | 60.5 | 31% | 0.31 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 136.8 | 171.1 | -169.4 | 165.2 | -167.7 | 0 | 0 | 109.3 | M424 E444 T446 | M424-M437 HydrophobicContact CE-CE 4.28Å; M424-M437 HydrophobicContact CE-CG 4.43Å; M424-M437 HydrophobicContact CE-SD 4.26Å; M437-E444 PolarHBondContact N-O 3.38Å; M437-E444 PolarHBondContact O-N 2.7Å; M437-T446 HydrophobicContact CB-CG2 4.01Å |
| 438 | L | 91.9 | Very high | 91.7 | Very high | 12 Ų | 12 | 60.7 Ų | 60.7 | 6% | 0.063 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 100.1 | -179.8 | -56.8 | 174.4 | 0 | 0 | 0 | 108.6 | D423 G440 V443 L682 | D423-L438 PolarHBondContact O-N 3.03Å; L438-G440 PolarHBondContact O-N 2.98Å; L438-V443 HydrophobicContact CD2-CB 4.39Å; L438-V443 HydrophobicContact CD2-CG1 4.1Å; L438-V443 HydrophobicContact CD2-CG2 3.77Å; L438-L682 HydrophobicContact CD1-CD1 3.7Å; L438-L682 HydrophobicContact CD1-CD2 3.95Å; L438-L682 HydrophobicContact CD1-CG 4.24Å |
| 439 | S | 88.2 | Confident | 91.1 | Very high | 60 Ų | 60 | 64.3 Ų | 64.3 | 42% | 0.42 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 78 | 179 | -67.4 | 0 | 0 | 0 | 0 | 109.3 | E441 E442 | S439-E441 PolarHBondContact O-N 3.24Å; S439-E442 PolarHBondContact N-O 3.17Å; S439-E442 PolarHBondContact O-N 3.48Å |
| 440 | G | 84.8 | Confident | 90.6 | Very high | 29 Ų | 29 | 64.4 Ų | 64.4 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | -117 | -168 | 0 | 0 | 0 | 0 | 0 | 110 | L438 G686 | L438-G440 PolarHBondContact O-N 2.98Å; G440-G686 WeakPolarHBondContact O-CA 3.33Å |
| 441 | E | 86.3 | Confident | 90.6 | Very high | 146 Ų | 146 | 60 Ų | 60 | 68% | 0.682 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -8.2 | 175.4 | -65.7 | 178.6 | -175.5 | 0 | 0 | 113.1 | S439 Y687 | S439-E441 PolarHBondContact O-N 3.24Å; E441-Y687 PolarHBondContact O-OH 3.07Å |
| 442 | E | 88.8 | Confident | 90.8 | Very high | 128 Ų | 128 | 59.3 Ų | 59.3 | 60% | 0.598 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 135.9 | 178.8 | -68.2 | -171.8 | 167.1 | 0 | 0 | 111.3 | S439 | S439-E442 PolarHBondContact N-O 3.17Å; S439-E442 PolarHBondContact O-N 3.48Å |
| 443 | V | 90.8 | Very high | 90.8 | Very high | 44 Ų | 44 | 57.8 Ų | 57.8 | 27% | 0.267 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 114 | 179.9 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | I402 L436 L438 Y687 | I402-V443 HydrophobicContact CD1-CB 4.04Å; I402-V443 HydrophobicContact CD1-CG1 3.8Å; I402-V443 HydrophobicContact CD1-CG2 4.16Å; L436-V443 HydrophobicContact CB-CG1 3.95Å; L436-V443 HydrophobicContact CD1-CG1 3.71Å; L436-V443 HydrophobicContact CD2-CG1 4.43Å; L436-V443 HydrophobicContact CG-CG1 4.23Å; L438-V443 HydrophobicContact CD2-CB 4.39Å; L438-V443 HydrophobicContact CD2-CG1 4.1Å; L438-V443 HydrophobicContact CD2-CG2 3.77Å; V443-Y687 HydrophobicContact CG2-CE2 4.4Å |
| 444 | E | 91.5 | Very high | 90.7 | Very high | 112 Ų | 112 | 63.6 Ų | 63.6 | 52% | 0.523 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 147.5 | -178.2 | -62.9 | -169.7 | 153 | 0 | 0 | 112.1 | L436 M437 | L436-E444 CarbonylContact C-O 3.57Å; L436-E444 VanDerWaalsContact CA-O 3.25Å; L436-E444 WeakPolarHBondContact CA-O 3.37Å; M437-E444 PolarHBondContact N-O 3.38Å; M437-E444 PolarHBondContact O-N 2.7Å |
| 445 | E | 92.1 | Very high | 90.6 | Very high | 118 Ų | 118 | 62.3 Ų | 62.3 | 55% | 0.551 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 131.5 | 175.1 | -168.8 | 169 | 173.6 | 0 | 0 | 110.9 | R434 L436 | R434-E445 WeakPolarHBondContact CD-OE1 3.27Å; R434-E445 IonicContact CZ-OE1 3.13Å; R434-E445 IonicContact CZ-OE2 3.99Å; R434-E445 IonicContact NE-OE1 2.7Å; R434-E445 PolarHBondContact NE-OE1 3.36Å; R434-E445 IonicContact NH1-OE1 2.76Å; R434-E445 PolarHBondContact NH1-OE1 3.45Å; R434-E445 IonicContact NH1-OE2 3.84Å; R434-E445 PolarHBondContact NH1-OE2 3.23Å; L436-E445 HydrophobicContact CD2-CB 4.06Å; L436-E445 HydrophobicContact CD2-CG 4.4Å |
| 446 | T | 92.3 | Very high | 90.7 | Very high | 49 Ų | 49 | 64.8 Ų | 64.8 | 30% | 0.301 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 168.4 | -179.4 | -154 | 0 | 0 | 0 | 0 | 111.6 | M424 V435 M437 | M424-T446 HydrophobicContact CE-CG2 4.41Å; V435-T446 HydrophobicContact CB-CG2 4.09Å; V435-T446 WeakPolarHBondContact CB-O 3.26Å; V435-T446 HydrophobicContact CG1-CG2 3.88Å; V435-T446 PolarHBondContact O-N 2.96Å; V435-T446 VanDerWaalsContact O-O 3.06Å; M437-T446 HydrophobicContact CB-CG2 4.01Å |
| 447 | E | 89.9 | Confident | 90.8 | Very high | 156 Ų | 156 | 64.2 Ų | 64.2 | 73% | 0.729 | 34% | 0.341 | S | S | * | . | trans | -115.5 | 137.3 | 173.9 | -67.4 | -178.1 | -179 | 0 | 0 | 109.6 | ||||
| 448 | L | 88.3 | Confident | 90.9 | Very high | 5 Ų | 5 | 64.1 Ų | 64.1 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | trans | -106.4 | 111.5 | 179.7 | -150.2 | 153.2 | 0 | 0 | 0 | 109.9 | M424 V435 G450 F451 L468 | M424-L448 HydrophobicContact SD-CD1 3.53Å; M424-L448 VanDerWaalsContact SD-CD1 3.53Å; V435-L448 HydrophobicContact CG2-CB 4.23Å; L448-G450 PolarHBondContact O-N 2.78Å; L448-F451 HydrophobicContact CB-CB 4.41Å; L448-F451 HydrophobicContact CB-CD1 4.41Å; L448-F451 HydrophobicContact CB-CG 4.4Å; L448-F451 HydrophobicContact CD2-CD1 3.67Å; L448-F451 HydrophobicContact CD2-CE1 3.91Å; L448-F451 HydrophobicContact CD2-CG 4.47Å; L448-F451 HydrophobicContact CG-CD1 4.49Å; L448-F451 WeakPolarHBondContact O-CB 3.4Å; L448-F451 PolarHBondContact O-N 2.95Å; L448-F451 VanDerWaalsContact O-N 3.1Å; L448-L468 HydrophobicContact CD1-CD1 4.35Å; L448-L468 HydrophobicContact CD2-CD1 4.04Å | ||
| 449 | P | 84.8 | Confident | 91.1 | Very high | 76 Ų | 76 | 65.6 Ų | 65.6 | 49% | 0.494 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 132.1 | 179.9 | -23.5 | 33.3 | 0 | 0 | 0 | 111 | K484 | P449-K484 CarbonylContact C-O 3.19Å; P449-K484 HydrophobicContact CB-CB 4.07Å; P449-K484 WeakPolarHBondContact CB-O 3.49Å; P449-K484 HydrophobicContact CG-CB 4.25Å; P449-K484 CarbonylContact O-C 3.6Å |
| 450 | G | 84.4 | Confident | 91.4 | Very high | 19 Ų | 19 | 62.8 Ų | 62.8 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.8 | -23.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L448 R477 | L448-G450 PolarHBondContact O-N 2.78Å; G450-R477 PolarHBondContact O-NE 3.37Å |
| 451 | F | 93.3 | Very high | 91.9 | Very high | 16 Ų | 16 | 61.6 Ų | 61.6 | 7% | 0.07 | 31% | 0.312 | C | S | . | . | trans | -79 | 158.9 | 170.5 | -81.5 | 53.4 | 0 | 0 | 0 | 110.9 | L413 L448 C460 L468 Q470 V479 | L413-F451 HydrophobicContact CD1-CE2 4.42Å; L448-F451 HydrophobicContact CB-CB 4.41Å; L448-F451 HydrophobicContact CB-CD1 4.41Å; L448-F451 HydrophobicContact CB-CG 4.4Å; L448-F451 HydrophobicContact CD2-CD1 3.67Å; L448-F451 HydrophobicContact CD2-CE1 3.91Å; L448-F451 HydrophobicContact CD2-CG 4.47Å; L448-F451 HydrophobicContact CG-CD1 4.49Å; L448-F451 WeakPolarHBondContact O-CB 3.4Å; L448-F451 PolarHBondContact O-N 2.95Å; L448-F451 VanDerWaalsContact O-N 3.1Å; F451-C460 HydrophobicContact CE2-CB 3.81Å; F451-C460 HydrophobicContact CZ-CB 4.32Å; F451-L468 HydrophobicContact CE1-CB 4.01Å; F451-L468 HydrophobicContact CE1-CD1 4.36Å; F451-L468 HydrophobicContact CZ-CB 4.22Å; F451-Q470 VanDerWaalsContact CA-OE1 3.26Å; F451-Q470 HydrophobicContact CD2-CB 3.82Å; F451-Q470 HydrophobicContact CD2-CG 3.67Å; F451-Q470 HydrophobicContact CE1-CB 4.39Å; F451-Q470 HydrophobicContact CE2-CB 3.65Å; F451-Q470 HydrophobicContact CE2-CG 3.79Å; F451-Q470 HydrophobicContact CG-CB 4.27Å; F451-Q470 HydrophobicContact CG-CG 4.39Å; F451-Q470 HydrophobicContact CZ-CB 3.95Å; F451-V479 HydrophobicContact CD1-CG2 4.08Å; F451-V479 HydrophobicContact CE1-CB 4.38Å; F451-V479 HydrophobicContact CE1-CG2 4.11Å | ||
| 452 | V | 94.1 | Very high | 92.2 | Very high | 26 Ų | 26 | 56 Ų | 56 | 16% | 0.158 | 29% | 0.287 | C | S | . | . | trans | -114.5 | 119.2 | 178.2 | 176.7 | 0 | 0 | 0 | 0 | 109 | N454 Q455 Q470 | V452-N454 WeakPolarHBondContact CG1-OD1 3.42Å; V452-Q455 HydrophobicContact CG1-CB 4.13Å; V452-Q455 HydrophobicContact CG1-CG 4Å; V452-Q470 PolarHBondContact O-NE2 2.76Å | ||
| 453 | D | 93 | Very high | 92.4 | Very high | 51 Ų | 51 | 50.1 Ų | 50.1 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -98.1 | -15.1 | -172.5 | -55 | -18.3 | 0 | 0 | 0 | 112.2 | Q432 T433 Q455 | Q432-D453 CarbonylContact C-O 3.5Å; Q432-D453 WeakPolarHBondContact CA-O 3.24Å; Q432-D453 VanDerWaalsContact CB-O 3.26Å; Q432-D453 WeakPolarHBondContact CB-O 3.28Å; T433-D453 PolarHBondContact N-O 3.11Å; T433-D453 WeakPolarHBondContact O-CB 3.14Å; D453-Q455 VanDerWaalsContact C-N 3.32Å; D453-Q455 PolarHBondContact O-N 3.31Å |
| 454 | N | 93.6 | Very high | 92.4 | Very high | 126 Ų | 126 | 48.4 Ų | 48.4 | 67% | 0.674 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -92 | 15.3 | 177.9 | 72.8 | -6 | 0 | 0 | 0 | 113.9 | G431 V452 | G431-N454 CarbonylContact O-C 3.55Å; V452-N454 WeakPolarHBondContact CG1-OD1 3.42Å |
| 455 | Q | 93.2 | Very high | 92.4 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 28% | 0.276 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -132.5 | 155.3 | 173.4 | -67.3 | -162.9 | -5.6 | 0 | 0 | 110.7 | G431 Q432 T433 V452 D453 T472 | G431-Q455 PolarHBondContact O-N 3.19Å; Q432-Q455 CarbonylContact C-O 3.49Å; Q432-Q455 VanDerWaalsContact C-O 3.27Å; T433-Q455 PolarHBondContact N-O 2.89Å; T433-Q455 PolarHBondContact OG1-O 3.02Å; V452-Q455 HydrophobicContact CG1-CB 4.13Å; V452-Q455 HydrophobicContact CG1-CG 4Å; D453-Q455 VanDerWaalsContact C-N 3.32Å; D453-Q455 PolarHBondContact O-N 3.31Å; Q455-T472 HydrophobicContact CB-CG2 4.31Å; Q455-T472 PolarHBondContact OE1-OG1 2.89Å |
| 456 | Q | 95.3 | Very high | 92.3 | Very high | 53 Ų | 53 | 48.6 Ų | 48.6 | 25% | 0.248 | 25% | 0.249 | C | C | . | . | trans | -73 | 129 | 173 | -172.8 | 175.5 | -12.8 | 0 | 0 | 109.9 | S428 F429 T472 S473 | S428-Q456 WeakPolarHBondContact OG-CG 3.46Å; F429-Q456 WeakPolarHBondContact O-CG 3.35Å; Q456-T472 VanDerWaalsContact O-CA 3.32Å; Q456-T472 WeakPolarHBondContact O-CA 3.22Å; Q456-T472 WeakPolarHBondContact O-CB 3.49Å; Q456-S473 PolarHBondContact O-N 2.83Å | ||
| 457 | T | 96.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 133.1 | 174.4 | -64 | 0 | 0 | 0 | 0 | 109.7 | W411 S428 T433 Y459 C460 Q470 | W411-T457 HydrophobicContact CE3-CG2 4.25Å; W411-T457 HydrophobicContact CH2-CG2 4.21Å; W411-T457 VanDerWaalsContact CH2-O 3.29Å; W411-T457 WeakPolarHBondContact CH2-O 3.4Å; W411-T457 HydrophobicContact CZ3-CG2 3.84Å; S428-T457 WeakPolarHBondContact CB-O 3.44Å; S428-T457 PolarHBondContact OG-N 3.23Å; S428-T457 PolarHBondContact OG-O 2.87Å; S428-T457 VanDerWaalsContact OG-O 3.13Å; T433-T457 WeakPolarHBondContact CG2-OG1 3.37Å; T433-T457 WeakPolarHBondContact OG1-CB 3.42Å; T433-T457 PolarHBondContact OG1-N 2.75Å; T433-T457 PolarHBondContact OG1-OG1 2.89Å; T457-Y459 WeakPolarHBondContact CG2-O 3.3Å; T457-C460 HydrophobicContact CG2-CB 4.1Å; T457-Q470 HydrophobicContact CG2-CG 4.07Å; T457-Q470 PolarHBondContact OG1-NE2 3.02Å |
| 458 | F | 94.8 | Very high | 92.6 | Very high | 60 Ų | 60 | 39.2 Ų | 39.2 | 26% | 0.263 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -28.1 | 172.5 | -64.5 | -39.9 | 0 | 0 | 0 | 112.9 | W411 I471 I498 A501 | W411-F458 VanDerWaalsContact CZ2-C 3.49Å; W411-F458 WeakPolarHBondContact CZ2-O 3.48Å; F458-I471 HydrophobicContact CB-CG2 4.47Å; F458-I471 PolarHBondContact N-O 2.89Å; F458-I498 HydrophobicContact CD2-CG2 4.26Å; F458-I498 HydrophobicContact CE2-CB 4.34Å; F458-I498 HydrophobicContact CE2-CG2 4.37Å; F458-I498 VanDerWaalsContact CE2-O 3.28Å; F458-I498 WeakPolarHBondContact CE2-O 3.35Å; F458-A501 HydrophobicContact CB-CB 4.37Å |
| 459 | Y | 96.1 | Very high | 93 | Very high | 43 Ų | 43 | 39 Ų | 39 | 17% | 0.169 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 142.6 | 173.8 | 178.9 | -89.1 | 0 | 0 | 0 | 109.8 | W411 T457 I469 I471 C503 | W411-Y459 AromaticContact NE1-CD2 3.83Å; T457-Y459 WeakPolarHBondContact CG2-O 3.3Å; Y459-I469 HydrophobicContact CD1-CG2 4.06Å; Y459-I469 HydrophobicContact CE1-CG2 3.84Å; Y459-I471 HydrophobicContact CD1-CD1 4.2Å; Y459-I471 PolarHBondContact N-O 2.94Å; Y459-I471 PolarHBondContact O-N 3.43Å; Y459-C503 HydrophobicContact CD1-CB 3.44Å; Y459-C503 VanDerWaalsContact CD1-CB 3.44Å; Y459-C503 HydrophobicContact CD2-CB 4.36Å; Y459-C503 HydrophobicContact CE1-CB 3.38Å; Y459-C503 VanDerWaalsContact CE1-SG 3.53Å; Y459-C503 HydrophobicContact CE2-CB 4.3Å; Y459-C503 HydrophobicContact CG-CB 3.95Å |
| 460 | C | 95.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 160.6 | 162 | 62.8 | 0 | 0 | 0 | 0 | 110.5 | W411 V426 F451 T457 I469 Q470 | W411-C460 WeakPolarHBondContact CB-O 3.41Å; W411-C460 VanDerWaalsContact CB-SG 3.55Å; V426-C460 VanDerWaalsContact CG1-SG 3.59Å; F451-C460 HydrophobicContact CE2-CB 3.81Å; F451-C460 HydrophobicContact CZ-CB 4.32Å; T457-C460 HydrophobicContact CG2-CB 4.1Å; C460-I469 WeakPolarHBondContact CA-O 3.28Å; C460-I469 WeakPolarHBondContact CB-O 3.38Å; C460-Q470 HydrophobicContact CB-CG 4.45Å |
| 461 | G | 94.1 | Very high | 94.1 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 5% | 0.052 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.6 | 176.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | L468 I469 | G461-L468 WeakPolarHBondContact O-CA 3.18Å; G461-I469 PolarHBondContact N-O 2.99Å; G461-I469 PolarHBondContact O-N 3.13Å |
| 462 | N | 93.5 | Very high | 94.2 | Very high | 27 Ų | 27 | 33.7 Ų | 33.7 | 14% | 0.144 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 127.3 | 175.4 | -62.1 | 82.8 | 0 | 0 | 0 | 111.2 | L413 R414 L468 Q481 | L413-N462 WeakPolarHBondContact CA-OD1 3.23Å; R414-N462 PolarHBondContact N-OD1 3.47Å; R414-N462 PolarHBondContact O-ND2 2.86Å; N462-L468 HydrophobicContact CB-CD2 4.44Å; N462-L468 WeakPolarHBondContact ND2-CD2 3.28Å; N462-Q481 PolarHBondContact ND2-NE2 2.86Å |
| 463 | V | 93.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.03 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 174.9 | -179.2 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | Q467 I469 L478 I521 | V463-Q467 HydrophobicContact CG2-CB 3.82Å; V463-Q467 WeakPolarHBondContact CG2-O 3.3Å; V463-Q467 PolarHBondContact N-O 2.84Å; V463-I469 HydrophobicContact CG1-CB 3.9Å; V463-I469 HydrophobicContact CG1-CG2 3.49Å; V463-I469 VanDerWaalsContact CG1-CG2 3.49Å; V463-I469 HydrophobicContact CG2-CB 4.21Å; V463-L478 HydrophobicContact CG2-CD1 3.83Å; V463-I521 HydrophobicContact CB-CD1 3.75Å; V463-I521 HydrophobicContact CB-CG2 4.32Å; V463-I521 HydrophobicContact CG1-CD1 3.63Å; V463-I521 HydrophobicContact CG2-CD1 4.21Å; V463-I521 HydrophobicContact CG2-CG2 3.99Å |
| 464 | A | 90 | Very high | 94.1 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 7% | 0.066 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 158 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K466 H505 T506 | A464-K466 PolarHBondContact O-N 2.93Å; A464-H505 WeakPolarHBondContact CA-NE2 3.32Å; A464-H505 WeakPolarHBondContact CB-O 3.35Å; A464-H505 PolarHBondContact N-CE1 3.44Å; A464-H505 VanDerWaalsContact N-CE1 3.33Å; A464-H505 PolarHBondContact N-O 2.97Å; A464-T506 HydrophobicContact CB-CG2 4.1Å |
| 465 | H | 91.1 | Very high | 94.2 | Very high | 108 Ų | 108 | 26.7 Ų | 26.7 | 50% | 0.5 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 37.2 | 176.2 | -46 | -69.2 | 0 | 0 | 0 | 114.6 | Q467 A523 | H465-Q467 VanDerWaalsContact CB-NE2 3.29Å; H465-Q467 PolarHBondContact O-N 3.18Å; H465-Q467 PolarHBondContact O-NE2 2.97Å; H465-A523 HydrophobicContact CB-CB 4.23Å |
| 466 | K | 91.3 | Very high | 94.3 | Very high | 126 Ų | 126 | 23.9 Ų | 23.9 | 55% | 0.548 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 49.2 | 176.4 | -57.6 | -177.5 | 175.3 | -170.9 | 0 | 112.5 | A417 A464 Q481 | A417-K466 HydrophobicContact CB-CB 4.25Å; A417-K466 HydrophobicContact CB-CD 3.69Å; A417-K466 HydrophobicContact CB-CG 3.87Å; A464-K466 PolarHBondContact O-N 2.93Å; K466-Q481 WeakPolarHBondContact O-CB 3.42Å; K466-Q481 PolarHBondContact O-N 2.9Å |
| 467 | Q | 93.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 23.1 Ų | 23.1 | 3% | 0.028 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 156.8 | -177.8 | -77.7 | 159.6 | 65.3 | 0 | 0 | 110.5 | V463 H465 L478 V479 V480 L522 | V463-Q467 HydrophobicContact CG2-CB 3.82Å; V463-Q467 WeakPolarHBondContact CG2-O 3.3Å; V463-Q467 PolarHBondContact N-O 2.84Å; H465-Q467 VanDerWaalsContact CB-NE2 3.29Å; H465-Q467 PolarHBondContact O-N 3.18Å; H465-Q467 PolarHBondContact O-NE2 2.97Å; Q467-L478 HydrophobicContact CB-CD1 4Å; Q467-L478 HydrophobicContact CB-CG 4.43Å; Q467-V479 CarbonylContact C-O 3.55Å; Q467-V479 VanDerWaalsContact CA-O 3.26Å; Q467-V479 WeakPolarHBondContact CA-O 3.36Å; Q467-V479 WeakPolarHBondContact CB-O 3.45Å; Q467-V480 HydrophobicContact CG-CG2 4.11Å; Q467-L522 PolarHBondContact OE1-O 2.81Å |
| 468 | L | 94.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 144.1 | 173.2 | -51.4 | 176.9 | 0 | 0 | 0 | 107.6 | L413 L448 F451 G461 N462 V479 Q481 | L413-L468 HydrophobicContact CD2-CB 4.5Å; L413-L468 HydrophobicContact CD2-CD2 3.77Å; L413-L468 HydrophobicContact CD2-CG 4.48Å; L448-L468 HydrophobicContact CD1-CD1 4.35Å; L448-L468 HydrophobicContact CD2-CD1 4.04Å; F451-L468 HydrophobicContact CE1-CB 4.01Å; F451-L468 HydrophobicContact CE1-CD1 4.36Å; F451-L468 HydrophobicContact CZ-CB 4.22Å; G461-L468 WeakPolarHBondContact O-CA 3.18Å; N462-L468 HydrophobicContact CB-CD2 4.44Å; N462-L468 WeakPolarHBondContact ND2-CD2 3.28Å; L468-V479 HydrophobicContact CB-CB 4.31Å; L468-V479 PolarHBondContact N-O 2.81Å; L468-V479 PolarHBondContact O-N 2.62Å; L468-Q481 HydrophobicContact CD2-CG 4.26Å; L468-Q481 HydrophobicContact CG-CB 4.45Å; L468-Q481 HydrophobicContact CG-CG 4.44Å |
| 469 | I | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 142.8 | 175 | -157.4 | 168.8 | 0 | 0 | 0 | 110.2 | Y459 C460 G461 V463 V476 R477 L478 V508 I521 L526 | Y459-I469 HydrophobicContact CD1-CG2 4.06Å; Y459-I469 HydrophobicContact CE1-CG2 3.84Å; C460-I469 WeakPolarHBondContact CA-O 3.28Å; C460-I469 WeakPolarHBondContact CB-O 3.38Å; G461-I469 PolarHBondContact N-O 2.99Å; G461-I469 PolarHBondContact O-N 3.13Å; V463-I469 HydrophobicContact CG1-CB 3.9Å; V463-I469 HydrophobicContact CG1-CG2 3.49Å; V463-I469 VanDerWaalsContact CG1-CG2 3.49Å; V463-I469 HydrophobicContact CG2-CB 4.21Å; I469-V476 HydrophobicContact CD1-CG1 3.72Å; I469-V476 HydrophobicContact CG1-CG1 3.85Å; I469-R477 CarbonylContact C-O 3.39Å; I469-R477 WeakPolarHBondContact CA-O 3.39Å; I469-R477 WeakPolarHBondContact CG1-O 3.44Å; I469-L478 HydrophobicContact CB-CD1 4.37Å; I469-L478 HydrophobicContact CG1-CD1 4.34Å; I469-V508 HydrophobicContact CD1-CG2 3.59Å; I469-I521 HydrophobicContact CD1-CD1 3.97Å; I469-I521 HydrophobicContact CD1-CG1 4.43Å; I469-L526 HydrophobicContact CD1-CD2 4.18Å |
| 470 | Q | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 123.4 | 169.6 | -168.2 | -167.4 | 21.6 | 0 | 0 | 108.9 | F451 V452 T457 C460 T472 R477 | F451-Q470 VanDerWaalsContact CA-OE1 3.26Å; F451-Q470 HydrophobicContact CD2-CB 3.82Å; F451-Q470 HydrophobicContact CD2-CG 3.67Å; F451-Q470 HydrophobicContact CE1-CB 4.39Å; F451-Q470 HydrophobicContact CE2-CB 3.65Å; F451-Q470 HydrophobicContact CE2-CG 3.79Å; F451-Q470 HydrophobicContact CG-CB 4.27Å; F451-Q470 HydrophobicContact CG-CG 4.39Å; F451-Q470 HydrophobicContact CZ-CB 3.95Å; V452-Q470 PolarHBondContact O-NE2 2.76Å; T457-Q470 HydrophobicContact CG2-CG 4.07Å; T457-Q470 PolarHBondContact OG1-NE2 3.02Å; C460-Q470 HydrophobicContact CB-CG 4.45Å; Q470-T472 HydrophobicContact CG-CG2 3.96Å; Q470-R477 HydrophobicContact CB-CB 4.44Å; Q470-R477 PolarHBondContact N-O 3.11Å; Q470-R477 PolarHBondContact O-N 2.86Å |
| 471 | I | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 115 | 174.6 | -57.7 | 173.6 | 0 | 0 | 0 | 107.5 | F458 Y459 V476 I498 A501 C503 V508 L510 | F458-I471 HydrophobicContact CB-CG2 4.47Å; F458-I471 PolarHBondContact N-O 2.89Å; Y459-I471 HydrophobicContact CD1-CD1 4.2Å; Y459-I471 PolarHBondContact N-O 2.94Å; Y459-I471 PolarHBondContact O-N 3.43Å; I471-V476 HydrophobicContact CB-CG2 4.38Å; I471-V476 HydrophobicContact CG1-CB 4.41Å; I471-V476 HydrophobicContact CG1-CG1 3.86Å; I471-V476 HydrophobicContact CG1-CG2 3.94Å; I471-V476 HydrophobicContact CG2-CG2 3.99Å; I471-I498 HydrophobicContact CG2-CD1 4.22Å; I471-A501 HydrophobicContact CB-CB 4.41Å; I471-A501 HydrophobicContact CD1-CB 4.08Å; I471-A501 HydrophobicContact CG2-CB 3.58Å; I471-C503 HydrophobicContact CD1-CB 3.93Å; I471-V508 HydrophobicContact CD1-CG1 3.6Å; I471-L510 HydrophobicContact CD1-CD2 4.14Å; I471-L510 HydrophobicContact CG2-CD2 3.92Å |
| 472 | T | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | -178.8 | 177.4 | 72.1 | 0 | 0 | 0 | 0 | 110.9 | Q455 Q456 Q470 G474 S475 | Q455-T472 HydrophobicContact CB-CG2 4.31Å; Q455-T472 PolarHBondContact OE1-OG1 2.89Å; Q456-T472 VanDerWaalsContact O-CA 3.32Å; Q456-T472 WeakPolarHBondContact O-CA 3.22Å; Q456-T472 WeakPolarHBondContact O-CB 3.49Å; Q470-T472 HydrophobicContact CG-CG2 3.96Å; T472-G474 PolarHBondContact O-N 2.77Å; T472-G474 PolarHBondContact OG1-N 3.02Å; T472-S475 PolarHBondContact N-O 2.87Å; T472-S475 PolarHBondContact OG1-N 3.48Å; T472-S475 PolarHBondContact OG1-O 3.04Å |
| 473 | S | 92.3 | Very high | 92.8 | Very high | 31 Ų | 31 | 28 Ų | 28 | 22% | 0.217 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -62.7 | -28.1 | 171.3 | 56.1 | 0 | 0 | 0 | 0 | 113.7 | Q456 N497 I498 | Q456-S473 PolarHBondContact O-N 2.83Å; S473-N497 CarbonylContact O-C 3.58Å; S473-N497 WeakPolarHBondContact O-CA 3.39Å; S473-N497 WeakPolarHBondContact O-CB 3.39Å; S473-I498 PolarHBondContact O-N 3.33Å |
| 474 | G | 91.7 | Very high | 92.5 | Very high | 21 Ų | 21 | 31 Ų | 31 | 22% | 0.216 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -97 | -31 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116 | T472 | T472-G474 PolarHBondContact O-N 2.77Å; T472-G474 PolarHBondContact OG1-N 3.02Å |
| 475 | S | 95.1 | Very high | 92.5 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 4% | 0.035 | 18% | 0.179 | C | C | . | . | trans | -163.1 | 165.7 | -173.7 | 61.8 | 0 | 0 | 0 | 0 | 112.7 | T472 E489 W490 | T472-S475 PolarHBondContact N-O 2.87Å; T472-S475 PolarHBondContact OG1-N 3.48Å; T472-S475 PolarHBondContact OG1-O 3.04Å; S475-E489 PolarHBondContact OG-OE1 2.88Å; S475-W490 WeakPolarHBondContact CA-O 3.39Å; S475-W490 VanDerWaalsContact CB-O 3.28Å; S475-W490 WeakPolarHBondContact CB-O 3.42Å | ||
| 476 | V | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 126.7 | 164.9 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | I469 I471 E489 W490 I498 L510 L526 | I469-V476 HydrophobicContact CD1-CG1 3.72Å; I469-V476 HydrophobicContact CG1-CG1 3.85Å; I471-V476 HydrophobicContact CB-CG2 4.38Å; I471-V476 HydrophobicContact CG1-CB 4.41Å; I471-V476 HydrophobicContact CG1-CG1 3.86Å; I471-V476 HydrophobicContact CG1-CG2 3.94Å; I471-V476 HydrophobicContact CG2-CG2 3.99Å; V476-E489 CarbonylContact O-C 3.57Å; V476-E489 VanDerWaalsContact O-CA 3.27Å; V476-E489 WeakPolarHBondContact O-CA 3.5Å; V476-W490 HydrophobicContact CB-CB 4.31Å; V476-W490 HydrophobicContact CG2-CE3 4.16Å; V476-W490 PolarHBondContact N-O 2.79Å; V476-W490 PolarHBondContact O-N 3.41Å; V476-I498 HydrophobicContact CG2-CD1 3.91Å; V476-L510 HydrophobicContact CG2-CD1 3.43Å; V476-L510 VanDerWaalsContact CG2-CD1 3.43Å; V476-L510 HydrophobicContact CG2-CD2 3.86Å; V476-L510 HydrophobicContact CG2-CG 4.26Å; V476-L526 HydrophobicContact CB-CD1 4.11Å; V476-L526 HydrophobicContact CG1-CD1 3.71Å |
| 477 | R | 95.4 | Very high | 92.8 | Very high | 37 Ų | 37 | 27.6 Ų | 27.6 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 131.9 | -174 | -59.3 | -178.4 | 72.6 | 88 | -9.1 | 109.7 | G450 I469 Q470 L486 E489 | G450-R477 PolarHBondContact O-NE 3.37Å; I469-R477 CarbonylContact C-O 3.39Å; I469-R477 WeakPolarHBondContact CA-O 3.39Å; I469-R477 WeakPolarHBondContact CG1-O 3.44Å; Q470-R477 HydrophobicContact CB-CB 4.44Å; Q470-R477 PolarHBondContact N-O 3.11Å; Q470-R477 PolarHBondContact O-N 2.86Å; R477-L486 HydrophobicContact CB-CD1 3.71Å; R477-L486 HydrophobicContact CG-CD1 4.21Å; R477-L486 VanDerWaalsContact NH2-CD2 3.28Å; R477-E489 HydrophobicContact CG-CG 4.3Å; R477-E489 IonicContact CZ-OE1 3.99Å; R477-E489 VanDerWaalsContact NH1-CD 3.34Å; R477-E489 IonicContact NH1-OE1 3.78Å; R477-E489 PolarHBondContact NH1-OE1 3.19Å |
| 478 | L | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 126.2 | 178.1 | -167.7 | 65.2 | 0 | 0 | 0 | 108.5 | V463 Q467 I469 V487 S488 I521 L526 | V463-L478 HydrophobicContact CG2-CD1 3.83Å; Q467-L478 HydrophobicContact CB-CD1 4Å; Q467-L478 HydrophobicContact CB-CG 4.43Å; I469-L478 HydrophobicContact CB-CD1 4.37Å; I469-L478 HydrophobicContact CG1-CD1 4.34Å; L478-V487 HydrophobicContact CB-CG2 4.21Å; L478-V487 HydrophobicContact CD2-CG2 4.32Å; L478-V487 HydrophobicContact CG-CG2 4.04Å; L478-V487 VanDerWaalsContact O-CG2 3.24Å; L478-V487 WeakPolarHBondContact O-CG2 3.5Å; L478-V487 PolarHBondContact O-N 2.83Å; L478-S488 PolarHBondContact N-O 2.74Å; L478-S488 PolarHBondContact O-N 3.13Å; L478-I521 HydrophobicContact CD1-CG2 4.04Å; L478-I521 HydrophobicContact CD2-CG2 4.46Å; L478-L526 HydrophobicContact CB-CD1 4.16Å; L478-L526 HydrophobicContact CB-CD2 4.31Å; L478-L526 HydrophobicContact CB-CG 4.06Å; L478-L526 HydrophobicContact CD1-CD2 4.35Å; L478-L526 HydrophobicContact CD2-CD2 3.98Å; L478-L526 HydrophobicContact CD2-CG 3.99Å; L478-L526 HydrophobicContact CG-CD2 4.48Å |
| 479 | V | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 134.8 | -172.6 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | F451 Q467 L468 A485 L486 | F451-V479 HydrophobicContact CD1-CG2 4.08Å; F451-V479 HydrophobicContact CE1-CB 4.38Å; F451-V479 HydrophobicContact CE1-CG2 4.11Å; Q467-V479 CarbonylContact C-O 3.55Å; Q467-V479 VanDerWaalsContact CA-O 3.26Å; Q467-V479 WeakPolarHBondContact CA-O 3.36Å; Q467-V479 WeakPolarHBondContact CB-O 3.45Å; L468-V479 HydrophobicContact CB-CB 4.31Å; L468-V479 PolarHBondContact N-O 2.81Å; L468-V479 PolarHBondContact O-N 2.62Å; V479-A485 WeakPolarHBondContact CA-O 3.06Å; V479-L486 HydrophobicContact CG2-CD1 4.28Å |
| 480 | V | 91.8 | Very high | 92.9 | Very high | 37 Ų | 37 | 32.6 Ų | 32.6 | 22% | 0.224 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 134.6 | 173.9 | 169.5 | 0 | 0 | 0 | 0 | 109.7 | Q467 K484 A485 V487 | Q467-V480 HydrophobicContact CG-CG2 4.11Å; V480-K484 WeakPolarHBondContact O-CA 3.24Å; V480-K484 PolarHBondContact O-N 3.3Å; V480-A485 PolarHBondContact N-O 2.88Å; V480-V487 HydrophobicContact CB-CG1 4.31Å; V480-V487 HydrophobicContact CG2-CB 4.26Å; V480-V487 HydrophobicContact CG2-CG1 3.37Å; V480-V487 HydrophobicContact CG2-CG2 3.93Å |
| 481 | Q | 86.8 | Confident | 92.7 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -48.5 | -173 | -166.5 | 171.6 | 6.3 | 0 | 0 | 112.2 | R414 S415 E416 N462 K466 L468 K484 | R414-Q481 PolarHBondContact O-NE2 2.97Å; S415-Q481 WeakPolarHBondContact O-CG 3.3Å; E416-Q481 PolarHBondContact O-NE2 2.93Å; N462-Q481 PolarHBondContact ND2-NE2 2.86Å; K466-Q481 WeakPolarHBondContact O-CB 3.42Å; K466-Q481 PolarHBondContact O-N 2.9Å; L468-Q481 HydrophobicContact CD2-CG 4.26Å; L468-Q481 HydrophobicContact CG-CB 4.45Å; L468-Q481 HydrophobicContact CG-CG 4.44Å; Q481-K484 WeakPolarHBondContact O-CG 3.17Å |
| 482 | D | 84.4 | Confident | 92.6 | Very high | 117 Ų | 117 | 38.8 Ų | 38.8 | 63% | 0.626 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -44.6 | -176.4 | -62.6 | -25.3 | 0 | 0 | 0 | 113.1 | ||
| 483 | S | 84.9 | Confident | 92.2 | Very high | 76 Ų | 76 | 43.4 Ų | 43.4 | 53% | 0.531 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -10.1 | -176.8 | 70 | 0 | 0 | 0 | 0 | 113.6 | A485 | S483-A485 PolarHBondContact O-N 2.88Å; S483-A485 WeakPolarHBondContact OG-CB 3.44Å; S483-A485 PolarHBondContact OG-N 2.95Å |
| 484 | K | 87 | Confident | 92 | Very high | 67 Ų | 67 | 48.7 Ų | 48.7 | 29% | 0.291 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 34.7 | -172.3 | -54.1 | -176.7 | 179.9 | -174.2 | 0 | 112.1 | S415 P449 V480 Q481 | S415-K484 WeakPolarHBondContact OG-CE 3.48Å; S415-K484 PolarHBondContact OG-NZ 3.12Å; P449-K484 CarbonylContact C-O 3.19Å; P449-K484 HydrophobicContact CB-CB 4.07Å; P449-K484 WeakPolarHBondContact CB-O 3.49Å; P449-K484 HydrophobicContact CG-CB 4.25Å; P449-K484 CarbonylContact O-C 3.6Å; V480-K484 WeakPolarHBondContact O-CA 3.24Å; V480-K484 PolarHBondContact O-N 3.3Å; Q481-K484 WeakPolarHBondContact O-CG 3.17Å |
| 485 | A | 90.6 | Very high | 91.7 | Very high | 43 Ų | 43 | 50.7 Ų | 50.7 | 36% | 0.355 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 138.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V479 V480 S483 V487 | V479-A485 WeakPolarHBondContact CA-O 3.06Å; V480-A485 PolarHBondContact N-O 2.88Å; S483-A485 PolarHBondContact O-N 2.88Å; S483-A485 WeakPolarHBondContact OG-CB 3.44Å; S483-A485 PolarHBondContact OG-N 2.95Å; A485-V487 PolarHBondContact O-N 2.93Å |
| 486 | L | 93.8 | Very high | 91.6 | Very high | 67 Ų | 67 | 55.7 Ų | 55.7 | 35% | 0.351 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 124.3 | 171.2 | -177.5 | 79 | 0 | 0 | 0 | 109.7 | R477 V479 | R477-L486 HydrophobicContact CB-CD1 3.71Å; R477-L486 HydrophobicContact CG-CD1 4.21Å; R477-L486 VanDerWaalsContact NH2-CD2 3.28Å; V479-L486 HydrophobicContact CG2-CD1 4.28Å |
| 487 | V | 93.9 | Very high | 91.5 | Very high | 61 Ų | 61 | 60.9 Ų | 60.9 | 37% | 0.37 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -30.5 | 179.6 | -72.4 | 0 | 0 | 0 | 0 | 113.8 | L478 V480 A485 | L478-V487 HydrophobicContact CB-CG2 4.21Å; L478-V487 HydrophobicContact CD2-CG2 4.32Å; L478-V487 HydrophobicContact CG-CG2 4.04Å; L478-V487 VanDerWaalsContact O-CG2 3.24Å; L478-V487 WeakPolarHBondContact O-CG2 3.5Å; L478-V487 PolarHBondContact O-N 2.83Å; V480-V487 HydrophobicContact CB-CG1 4.31Å; V480-V487 HydrophobicContact CG2-CB 4.26Å; V480-V487 HydrophobicContact CG2-CG1 3.37Å; V480-V487 HydrophobicContact CG2-CG2 3.93Å; A485-V487 PolarHBondContact O-N 2.93Å |
| 488 | S | 95.3 | Very high | 91.5 | Very high | 22 Ų | 22 | 59.5 Ų | 59.5 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 145.9 | 177.9 | -175.7 | 0 | 0 | 0 | 0 | 110.6 | L478 L526 | L478-S488 PolarHBondContact N-O 2.74Å; L478-S488 PolarHBondContact O-N 3.13Å; S488-L526 PolarHBondContact OG-N 2.75Å; S488-L526 VanDerWaalsContact OG-N 3.1Å |
| 489 | E | 95.4 | Very high | 91.3 | Very high | 71 Ų | 71 | 62 Ų | 62 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 121.8 | 174.9 | -175.6 | -175.4 | -148.1 | 0 | 0 | 108.8 | S475 V476 R477 K491 | S475-E489 PolarHBondContact OG-OE1 2.88Å; V476-E489 CarbonylContact O-C 3.57Å; V476-E489 VanDerWaalsContact O-CA 3.27Å; V476-E489 WeakPolarHBondContact O-CA 3.5Å; R477-E489 HydrophobicContact CG-CG 4.3Å; R477-E489 IonicContact CZ-OE1 3.99Å; R477-E489 VanDerWaalsContact NH1-CD 3.34Å; R477-E489 IonicContact NH1-OE1 3.78Å; R477-E489 PolarHBondContact NH1-OE1 3.19Å; E489-K491 HydrophobicContact CG-CG 4.42Å; E489-K491 WeakPolarHBondContact OE1-CE 3.45Å; E489-K491 IonicContact OE1-NZ 2.8Å; E489-K491 PolarHBondContact OE1-NZ 2.98Å; E489-K491 WeakPolarHBondContact OE2-CE 3.34Å; E489-K491 IonicContact OE2-NZ 3.17Å; E489-K491 PolarHBondContact OE2-NZ 2.84Å |
| 490 | W | 95.8 | Very high | 91.3 | Very high | 20 Ų | 20 | 63.3 Ų | 63.3 | 8% | 0.076 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 134.1 | 171.7 | 179.8 | 92.4 | 0 | 0 | 0 | 110 | S475 V476 E492 I498 L510 Y517 L519 L526 | S475-W490 WeakPolarHBondContact CA-O 3.39Å; S475-W490 VanDerWaalsContact CB-O 3.28Å; S475-W490 WeakPolarHBondContact CB-O 3.42Å; V476-W490 HydrophobicContact CB-CB 4.31Å; V476-W490 HydrophobicContact CG2-CE3 4.16Å; V476-W490 PolarHBondContact N-O 2.79Å; V476-W490 PolarHBondContact O-N 3.41Å; W490-E492 HydrophobicContact CH2-CB 4.17Å; W490-I498 HydrophobicContact CZ3-CD1 4.11Å; W490-I498 HydrophobicContact CZ3-CG1 4.35Å; W490-L510 HydrophobicContact CD2-CD1 4.25Å; W490-L510 HydrophobicContact CE3-CD1 3.52Å; W490-L510 HydrophobicContact CH2-CD1 3.9Å; W490-L510 HydrophobicContact CZ3-CD1 3.32Å; W490-Y517 HydrophobicContact CH2-CD1 4.49Å; W490-Y517 AromaticContact CH2-CD2 3.87Å; W490-Y517 HydrophobicContact CH2-CD2 3.87Å; W490-Y517 HydrophobicContact CH2-CE2 4.32Å; W490-Y517 AromaticContact CH2-CG 3.95Å; W490-Y517 HydrophobicContact CH2-CG 3.95Å; W490-Y517 AromaticContact CZ2-CD1 3.86Å; W490-Y517 HydrophobicContact CZ2-CD1 3.86Å; W490-Y517 HydrophobicContact CZ2-CD2 4.07Å; W490-Y517 HydrophobicContact CZ2-CE1 4.33Å; W490-Y517 AromaticContact CZ2-CG 3.71Å; W490-Y517 HydrophobicContact CZ2-CG 3.71Å; W490-L519 HydrophobicContact CB-CD1 4Å; W490-L519 HydrophobicContact CD2-CD1 3.85Å; W490-L519 HydrophobicContact CD2-CD2 4.34Å; W490-L519 HydrophobicContact CE3-CD1 4.32Å; W490-L519 HydrophobicContact CG-CD1 3.7Å; W490-L519 HydrophobicContact CG-CD2 4.18Å; W490-L526 HydrophobicContact CB-CB 4.43Å; W490-L526 HydrophobicContact CB-CD1 3.99Å |
| 491 | K | 93.7 | Very high | 91.5 | Very high | 116 Ų | 116 | 62.5 Ų | 62.5 | 50% | 0.504 | 36% | 0.355 | S | S | . | . | trans | -129.1 | 148.8 | 176.3 | -75.2 | 176.9 | 170.9 | 142.6 | 0 | 109.6 | E489 | E489-K491 HydrophobicContact CG-CG 4.42Å; E489-K491 WeakPolarHBondContact OE1-CE 3.45Å; E489-K491 IonicContact OE1-NZ 2.8Å; E489-K491 PolarHBondContact OE1-NZ 2.98Å; E489-K491 WeakPolarHBondContact OE2-CE 3.34Å; E489-K491 IonicContact OE2-NZ 3.17Å; E489-K491 PolarHBondContact OE2-NZ 2.84Å | ||
| 492 | E | 92.9 | Very high | 91.9 | Very high | 13 Ų | 13 | 62.4 Ų | 62.4 | 6% | 0.061 | 36% | 0.356 | C | S | . | . | trans | -66.6 | 138.6 | 175.7 | -166.2 | -79.8 | 150.4 | 0 | 0 | 110.4 | W490 Q494 G495 K496 V512 Y517 | W490-E492 HydrophobicContact CH2-CB 4.17Å; E492-Q494 VanDerWaalsContact CD-N 3.29Å; E492-Q494 PolarHBondContact O-N 3.13Å; E492-Q494 VanDerWaalsContact O-N 3.12Å; E492-Q494 PolarHBondContact OE1-N 3.47Å; E492-Q494 WeakPolarHBondContact OE2-CA 3.38Å; E492-Q494 VanDerWaalsContact OE2-CB 3.26Å; E492-Q494 WeakPolarHBondContact OE2-CB 3.39Å; E492-Q494 PolarHBondContact OE2-N 3.03Å; E492-G495 PolarHBondContact O-N 3.34Å; E492-G495 PolarHBondContact OE2-N 2.58Å; E492-K496 WeakPolarHBondContact CB-O 2.94Å; E492-K496 HydrophobicContact CG-CB 4.28Å; E492-K496 WeakPolarHBondContact OE2-CB 3.36Å; E492-K496 PolarHBondContact OE2-N 3.34Å; E492-V512 HydrophobicContact CG-CG1 4.25Å; E492-V512 HydrophobicContact CG-CG2 4Å; E492-Y517 HydrophobicContact CG-CE2 4.21Å; E492-Y517 PolarHBondContact OE1-OH 2.86Å | ||
| 493 | P | 87.8 | Confident | 92.4 | Very high | 98 Ų | 98 | 57.6 Ų | 57.6 | 64% | 0.636 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -27.5 | -173.4 | -29.2 | 35.6 | 0 | 0 | 0 | 116.4 | ||
| 494 | Q | 87.9 | Confident | 92.8 | Very high | 141 Ų | 141 | 54.6 Ų | 54.6 | 66% | 0.659 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | 5.4 | 179.2 | -55.9 | -179.1 | -4.4 | 0 | 0 | 112.7 | E492 K496 | E492-Q494 VanDerWaalsContact CD-N 3.29Å; E492-Q494 PolarHBondContact O-N 3.13Å; E492-Q494 VanDerWaalsContact O-N 3.12Å; E492-Q494 PolarHBondContact OE1-N 3.47Å; E492-Q494 WeakPolarHBondContact OE2-CA 3.38Å; E492-Q494 VanDerWaalsContact OE2-CB 3.26Å; E492-Q494 WeakPolarHBondContact OE2-CB 3.39Å; E492-Q494 PolarHBondContact OE2-N 3.03Å; Q494-K496 VanDerWaalsContact C-N 3.3Å; Q494-K496 HydrophobicContact CB-CG 4.37Å; Q494-K496 PolarHBondContact O-N 3.32Å |
| 495 | G | 86.4 | Confident | 92.9 | Very high | 64 Ų | 64 | 55.2 Ų | 55.2 | 66% | 0.66 | 31% | 0.313 | S | S | * | . | trans | 68.6 | 23.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E492 | E492-G495 PolarHBondContact O-N 3.34Å; E492-G495 PolarHBondContact OE2-N 2.58Å | ||
| 496 | K | 92.5 | Very high | 93.1 | Very high | 109 Ų | 109 | 53.9 Ų | 53.9 | 47% | 0.474 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 151.6 | 173.9 | -68 | 176.6 | 179.9 | 165.8 | 0 | 111.1 | E492 Q494 V512 | E492-K496 WeakPolarHBondContact CB-O 2.94Å; E492-K496 HydrophobicContact CG-CB 4.28Å; E492-K496 WeakPolarHBondContact OE2-CB 3.36Å; E492-K496 PolarHBondContact OE2-N 3.34Å; Q494-K496 VanDerWaalsContact C-N 3.3Å; Q494-K496 HydrophobicContact CB-CG 4.37Å; Q494-K496 PolarHBondContact O-N 3.32Å; K496-V512 HydrophobicContact CB-CG1 3.61Å; K496-V512 HydrophobicContact CD-CG1 4.08Å |
| 497 | N | 93.6 | Very high | 93.1 | Very high | 110 Ų | 110 | 50.9 Ų | 50.9 | 59% | 0.588 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 145.7 | 177.8 | -66.8 | -17.1 | 0 | 0 | 0 | 111.5 | S473 | S473-N497 CarbonylContact O-C 3.58Å; S473-N497 WeakPolarHBondContact O-CA 3.39Å; S473-N497 WeakPolarHBondContact O-CB 3.39Å |
| 498 | I | 95.6 | Very high | 93.3 | Very high | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.036 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 135.2 | 171 | -59 | 173.8 | 0 | 0 | 0 | 108.2 | F458 I471 S473 V476 W490 A501 L510 | F458-I498 HydrophobicContact CD2-CG2 4.26Å; F458-I498 HydrophobicContact CE2-CB 4.34Å; F458-I498 HydrophobicContact CE2-CG2 4.37Å; F458-I498 VanDerWaalsContact CE2-O 3.28Å; F458-I498 WeakPolarHBondContact CE2-O 3.35Å; I471-I498 HydrophobicContact CG2-CD1 4.22Å; S473-I498 PolarHBondContact O-N 3.33Å; V476-I498 HydrophobicContact CG2-CD1 3.91Å; W490-I498 HydrophobicContact CZ3-CD1 4.11Å; W490-I498 HydrophobicContact CZ3-CG1 4.35Å; I498-A501 HydrophobicContact CG2-CB 4.49Å; I498-L510 HydrophobicContact CD1-CD1 4.23Å; I498-L510 HydrophobicContact CD1-CD2 4.37Å; I498-L510 HydrophobicContact CG2-CD2 4.28Å |
| 499 | S | 92.9 | Very high | 93.3 | Very high | 52 Ų | 52 | 47 Ų | 47 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | trans | -99.3 | -43.6 | 178.6 | 58.3 | 0 | 0 | 0 | 0 | 112.6 | A511 G513 | S499-A511 PolarHBondContact N-O 2.88Å; S499-A511 PolarHBondContact OG-O 3.44Å; S499-G513 PolarHBondContact OG-N 2.77Å; S499-G513 VanDerWaalsContact OG-N 3.11Å | ||
| 500 | V | 94.5 | Very high | 93.4 | Very high | 28 Ų | 28 | 43.6 Ų | 43.6 | 17% | 0.17 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 145.2 | -179.5 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | A511 A539 L541 | V500-A511 HydrophobicContact CB-CB 4.17Å; V500-A511 PolarHBondContact N-O 3.13Å; V500-A511 PolarHBondContact O-N 3.31Å; V500-A539 WeakPolarHBondContact CG2-O 3.4Å; V500-L541 HydrophobicContact CB-CD1 4.27Å; V500-L541 HydrophobicContact CG1-CB 4.11Å; V500-L541 HydrophobicContact CG1-CD1 4.07Å; V500-L541 HydrophobicContact CG1-CG 4.03Å |
| 501 | A | 95.6 | Very high | 93.4 | Very high | 21 Ų | 21 | 42.6 Ų | 42.6 | 17% | 0.174 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 142.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F458 I471 I498 L510 | F458-A501 HydrophobicContact CB-CB 4.37Å; I471-A501 HydrophobicContact CB-CB 4.41Å; I471-A501 HydrophobicContact CD1-CB 4.08Å; I471-A501 HydrophobicContact CG2-CB 3.58Å; I498-A501 HydrophobicContact CG2-CB 4.49Å; A501-L510 HydrophobicContact CB-CD2 3.66Å |
| 502 | A | 95 | Very high | 93.4 | Very high | 7 Ų | 7 | 37.9 Ų | 37.9 | 6% | 0.058 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 138.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | V509 L541 I543 | A502-V509 PolarHBondContact N-O 2.85Å; A502-V509 PolarHBondContact O-N 3.12Å; A502-V509 VanDerWaalsContact O-O 3.14Å; A502-L541 HydrophobicContact CB-CB 3.73Å; A502-I543 HydrophobicContact CB-CD1 4.5Å; A502-I543 HydrophobicContact CB-CG1 4Å |
| 503 | C | 95 | Very high | 93.4 | Very high | 17 Ų | 17 | 38.2 Ų | 38.2 | 12% | 0.115 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 138.5 | -175.8 | -172.7 | 0 | 0 | 0 | 0 | 109 | Y459 I471 Q507 | Y459-C503 HydrophobicContact CD1-CB 3.44Å; Y459-C503 VanDerWaalsContact CD1-CB 3.44Å; Y459-C503 HydrophobicContact CD2-CB 4.36Å; Y459-C503 HydrophobicContact CE1-CB 3.38Å; Y459-C503 VanDerWaalsContact CE1-SG 3.53Å; Y459-C503 HydrophobicContact CE2-CB 4.3Å; Y459-C503 HydrophobicContact CG-CB 3.95Å; I471-C503 HydrophobicContact CD1-CB 3.93Å; C503-Q507 WeakPolarHBondContact CA-O 3.32Å |
| 504 | N | 92.9 | Very high | 93.7 | Very high | 12 Ų | 12 | 39.1 Ų | 39.1 | 6% | 0.064 | 22% | 0.219 | C | C | . | . | trans | -120.9 | -162.7 | 167.1 | 68.3 | 32 | 0 | 0 | 0 | 109 | T506 Q507 I543 | N504-T506 VanDerWaalsContact C-N 3.3Å; N504-T506 PolarHBondContact O-N 2.86Å; N504-T506 PolarHBondContact OD1-N 3.33Å; N504-T506 PolarHBondContact OD1-OG1 3.14Å; N504-Q507 PolarHBondContact N-O 2.74Å; N504-Q507 PolarHBondContact ND2-OE1 2.75Å; N504-Q507 WeakPolarHBondContact OD1-CA 3.48Å; N504-Q507 WeakPolarHBondContact OD1-CB 3.42Å; N504-Q507 PolarHBondContact OD1-N 3.34Å; N504-Q507 PolarHBondContact OD1-O 2.78Å; N504-I543 HydrophobicContact CB-CG1 4.42Å; N504-I543 PolarHBondContact ND2-O 3.33Å | ||
| 505 | H | 90.8 | Very high | 94 | Very high | 80 Ų | 80 | 33.5 Ų | 33.5 | 37% | 0.37 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -66 | -27.9 | -175.8 | -165.3 | 61.7 | 0 | 0 | 0 | 114.2 | A464 | A464-H505 WeakPolarHBondContact CA-NE2 3.32Å; A464-H505 WeakPolarHBondContact CB-O 3.35Å; A464-H505 PolarHBondContact N-CE1 3.44Å; A464-H505 VanDerWaalsContact N-CE1 3.33Å; A464-H505 PolarHBondContact N-O 2.97Å |
| 506 | T | 93.3 | Very high | 94.5 | Very high | 16 Ų | 16 | 30.5 Ų | 30.5 | 10% | 0.098 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -127 | -15.3 | -171 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | A464 N504 I521 N551 E552 | A464-T506 HydrophobicContact CB-CG2 4.1Å; N504-T506 VanDerWaalsContact C-N 3.3Å; N504-T506 PolarHBondContact O-N 2.86Å; N504-T506 PolarHBondContact OD1-N 3.33Å; N504-T506 PolarHBondContact OD1-OG1 3.14Å; T506-I521 WeakPolarHBondContact O-CB 3.34Å; T506-I521 PolarHBondContact O-N 2.92Å; T506-N551 HydrophobicContact CG2-CB 4.19Å; T506-N551 PolarHBondContact OG1-O 3.39Å; T506-E552 WeakPolarHBondContact OG1-CG 3.22Å |
| 507 | Q | 95.2 | Very high | 94.6 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.019 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 147.4 | -169.3 | -64.9 | 171.5 | -46.3 | 0 | 0 | 111.3 | C503 N504 Y518 I543 S553 | C503-Q507 WeakPolarHBondContact CA-O 3.32Å; N504-Q507 PolarHBondContact N-O 2.74Å; N504-Q507 PolarHBondContact ND2-OE1 2.75Å; N504-Q507 WeakPolarHBondContact OD1-CA 3.48Å; N504-Q507 WeakPolarHBondContact OD1-CB 3.42Å; N504-Q507 PolarHBondContact OD1-N 3.34Å; N504-Q507 PolarHBondContact OD1-O 2.78Å; Q507-Y518 HydrophobicContact CB-CE2 3.85Å; Q507-Y518 HydrophobicContact CG-CE2 3.8Å; Q507-Y518 WeakPolarHBondContact CG-OH 3.47Å; Q507-Y518 PolarHBondContact NE2-OH 2.84Å; Q507-I543 HydrophobicContact CB-CD1 3.97Å; Q507-I543 WeakPolarHBondContact O-CD1 3.5Å; Q507-S553 PolarHBondContact NE2-O 3.02Å; Q507-S553 PolarHBondContact OE1-O 3.06Å |
| 508 | V | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 130.9 | 173.7 | -169.1 | 0 | 0 | 0 | 0 | 109.1 | I469 I471 L510 L519 I521 | I469-V508 HydrophobicContact CD1-CG2 3.59Å; I471-V508 HydrophobicContact CD1-CG1 3.6Å; V508-L510 HydrophobicContact CG1-CD1 4.49Å; V508-L510 HydrophobicContact CG1-CD2 3.71Å; V508-L510 HydrophobicContact CG1-CG 3.95Å; V508-L519 HydrophobicContact CB-CB 4.16Å; V508-L519 PolarHBondContact N-O 2.79Å; V508-L519 PolarHBondContact O-N 3.2Å; V508-I521 HydrophobicContact CG2-CD1 3.8Å; V508-I521 HydrophobicContact CG2-CG1 3.82Å |
| 509 | V | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 128.9 | 170.3 | 178.7 | 0 | 0 | 0 | 0 | 109.1 | A502 L516 Y517 Y518 L541 I543 L571 F574 | A502-V509 PolarHBondContact N-O 2.85Å; A502-V509 PolarHBondContact O-N 3.12Å; A502-V509 VanDerWaalsContact O-O 3.14Å; V509-L516 HydrophobicContact CG1-CD2 4Å; V509-Y517 WeakPolarHBondContact CA-O 3.48Å; V509-Y518 HydrophobicContact CG2-CD2 3.87Å; V509-L541 HydrophobicContact CG1-CD1 4.13Å; V509-I543 HydrophobicContact CB-CD1 4.45Å; V509-I543 HydrophobicContact CB-CG2 4.19Å; V509-I543 HydrophobicContact CG2-CD1 4.14Å; V509-I543 HydrophobicContact CG2-CG2 3.77Å; V509-L571 HydrophobicContact CG2-CD1 4.44Å; V509-L571 HydrophobicContact CG2-CD2 4.28Å; V509-F574 HydrophobicContact CG1-CE1 4.27Å; V509-F574 HydrophobicContact CG1-CZ 4.29Å |
| 510 | L | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 140.4 | -175.4 | -53.4 | 168 | 0 | 0 | 0 | 109.5 | I471 V476 W490 I498 A501 V508 L516 Y517 L519 | I471-L510 HydrophobicContact CD1-CD2 4.14Å; I471-L510 HydrophobicContact CG2-CD2 3.92Å; V476-L510 HydrophobicContact CG2-CD1 3.43Å; V476-L510 VanDerWaalsContact CG2-CD1 3.43Å; V476-L510 HydrophobicContact CG2-CD2 3.86Å; V476-L510 HydrophobicContact CG2-CG 4.26Å; W490-L510 HydrophobicContact CD2-CD1 4.25Å; W490-L510 HydrophobicContact CE3-CD1 3.52Å; W490-L510 HydrophobicContact CH2-CD1 3.9Å; W490-L510 HydrophobicContact CZ3-CD1 3.32Å; I498-L510 HydrophobicContact CD1-CD1 4.23Å; I498-L510 HydrophobicContact CD1-CD2 4.37Å; I498-L510 HydrophobicContact CG2-CD2 4.28Å; A501-L510 HydrophobicContact CB-CD2 3.66Å; V508-L510 HydrophobicContact CG1-CD1 4.49Å; V508-L510 HydrophobicContact CG1-CD2 3.71Å; V508-L510 HydrophobicContact CG1-CG 3.95Å; L510-L516 CarbonylContact O-C 3.47Å; L510-L516 WeakPolarHBondContact O-CA 3.45Å; L510-Y517 PolarHBondContact N-O 2.98Å; L510-Y517 PolarHBondContact O-N 2.86Å; L510-L519 HydrophobicContact CD1-CD1 3.75Å; L510-L519 HydrophobicContact CD1-CG 4.43Å |
| 511 | A | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 142.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S499 V500 A515 L516 V538 L541 | S499-A511 PolarHBondContact N-O 2.88Å; S499-A511 PolarHBondContact OG-O 3.44Å; V500-A511 HydrophobicContact CB-CB 4.17Å; V500-A511 PolarHBondContact N-O 3.13Å; V500-A511 PolarHBondContact O-N 3.31Å; A511-A515 CarbonylContact C-O 3.5Å; A511-A515 WeakPolarHBondContact CA-O 3.12Å; A511-L516 HydrophobicContact CB-CD2 4.01Å; A511-V538 HydrophobicContact CB-CB 3.71Å; A511-V538 HydrophobicContact CB-CG1 3.92Å; A511-V538 HydrophobicContact CB-CG2 4.09Å; A511-L541 HydrophobicContact CB-CD1 3.92Å |
| 512 | V | 95.2 | Very high | 94.7 | Very high | 16 Ų | 16 | 21.3 Ų | 21.3 | 10% | 0.097 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 83.4 | 171.1 | 179.7 | 0 | 0 | 0 | 0 | 106.7 | E492 K496 R514 A515 Y517 | E492-V512 HydrophobicContact CG-CG1 4.25Å; E492-V512 HydrophobicContact CG-CG2 4Å; K496-V512 HydrophobicContact CB-CG1 3.61Å; K496-V512 HydrophobicContact CD-CG1 4.08Å; V512-R514 PolarHBondContact O-N 3.07Å; V512-A515 PolarHBondContact N-O 2.87Å; V512-A515 PolarHBondContact O-N 2.99Å; V512-A515 VanDerWaalsContact O-N 3.16Å; V512-Y517 HydrophobicContact CB-CE2 4.28Å; V512-Y517 HydrophobicContact CG2-CD2 4.22Å; V512-Y517 HydrophobicContact CG2-CE2 3.98Å |
| 513 | G | 92.9 | Very high | 94.6 | Very high | 20 Ų | 20 | 24.6 Ų | 24.6 | 21% | 0.206 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | -102.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S499 E537 V538 | S499-G513 PolarHBondContact OG-N 2.77Å; S499-G513 VanDerWaalsContact OG-N 3.11Å; G513-E537 WeakPolarHBondContact O-CA 3.36Å; G513-V538 PolarHBondContact O-N 3.41Å |
| 514 | R | 94.1 | Very high | 94.3 | Very high | 118 Ų | 118 | 25.2 Ų | 25.2 | 45% | 0.445 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -23.5 | 178 | -57.1 | -171.5 | -176.8 | 179 | -2.8 | 113.9 | V512 E533 M534 E537 | V512-R514 PolarHBondContact O-N 3.07Å; R514-E533 HydrophobicContact CB-CG 3.94Å; R514-M534 PolarHBondContact O-N 2.92Å; R514-E537 HydrophobicContact CG-CG 4.08Å |
| 515 | A | 94.7 | Very high | 94.4 | Very high | 23 Ų | 23 | 29.7 Ų | 29.7 | 19% | 0.19 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 131.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | A511 V512 Y517 T532 | A511-A515 CarbonylContact C-O 3.5Å; A511-A515 WeakPolarHBondContact CA-O 3.12Å; V512-A515 PolarHBondContact N-O 2.87Å; V512-A515 PolarHBondContact O-N 2.99Å; V512-A515 VanDerWaalsContact O-N 3.16Å; A515-Y517 HydrophobicContact CB-CE2 3.95Å; A515-T532 WeakPolarHBondContact CA-O 3.25Å |
| 516 | L | 95 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 139.2 | 173.8 | -79.5 | 163.7 | 0 | 0 | 0 | 109.8 | V509 L510 A511 T531 T532 M534 V538 L541 L569 F574 | V509-L516 HydrophobicContact CG1-CD2 4Å; L510-L516 CarbonylContact O-C 3.47Å; L510-L516 WeakPolarHBondContact O-CA 3.45Å; A511-L516 HydrophobicContact CB-CD2 4.01Å; L516-T531 WeakPolarHBondContact O-CA 3.17Å; L516-T531 PolarHBondContact O-OG1 3.1Å; L516-T532 HydrophobicContact CB-CG2 3.72Å; L516-T532 HydrophobicContact CD1-CG2 3.93Å; L516-T532 HydrophobicContact CG-CG2 4.44Å; L516-T532 PolarHBondContact N-O 2.88Å; L516-T532 PolarHBondContact O-N 2.95Å; L516-M534 HydrophobicContact CD1-CG 3.46Å; L516-M534 VanDerWaalsContact CD1-CG 3.46Å; L516-M534 HydrophobicContact CD1-SD 3.63Å; L516-M534 HydrophobicContact CG-CG 4.23Å; L516-V538 HydrophobicContact CD1-CG2 4.43Å; L516-V538 HydrophobicContact CD2-CG2 4.3Å; L516-V538 HydrophobicContact CG-CG2 4.26Å; L516-L541 HydrophobicContact CD2-CD1 3.9Å; L516-L541 HydrophobicContact CD2-CD2 3.85Å; L516-L541 HydrophobicContact CD2-CG 4.49Å; L516-L569 HydrophobicContact CD1-CD1 4.15Å; L516-F574 HydrophobicContact CB-CE1 4.43Å; L516-F574 HydrophobicContact CB-CZ 4.24Å |
| 517 | Y | 95.8 | Very high | 94.6 | Very high | 21 Ų | 21 | 30.6 Ų | 30.6 | 8% | 0.082 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 129.7 | 176.8 | -63.6 | -85.1 | 0 | 0 | 0 | 109.3 | W490 E492 V509 L510 V512 A515 | W490-Y517 HydrophobicContact CH2-CD1 4.49Å; W490-Y517 AromaticContact CH2-CD2 3.87Å; W490-Y517 HydrophobicContact CH2-CD2 3.87Å; W490-Y517 HydrophobicContact CH2-CE2 4.32Å; W490-Y517 AromaticContact CH2-CG 3.95Å; W490-Y517 HydrophobicContact CH2-CG 3.95Å; W490-Y517 AromaticContact CZ2-CD1 3.86Å; W490-Y517 HydrophobicContact CZ2-CD1 3.86Å; W490-Y517 HydrophobicContact CZ2-CD2 4.07Å; W490-Y517 HydrophobicContact CZ2-CE1 4.33Å; W490-Y517 AromaticContact CZ2-CG 3.71Å; W490-Y517 HydrophobicContact CZ2-CG 3.71Å; E492-Y517 HydrophobicContact CG-CE2 4.21Å; E492-Y517 PolarHBondContact OE1-OH 2.86Å; V509-Y517 WeakPolarHBondContact CA-O 3.48Å; L510-Y517 PolarHBondContact N-O 2.98Å; L510-Y517 PolarHBondContact O-N 2.86Å; V512-Y517 HydrophobicContact CB-CE2 4.28Å; V512-Y517 HydrophobicContact CG2-CD2 4.22Å; V512-Y517 HydrophobicContact CG2-CE2 3.98Å; A515-Y517 HydrophobicContact CB-CE2 3.95Å |
| 518 | Y | 96.8 | Very high | 94.6 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 4% | 0.035 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121.5 | 173.1 | 170.6 | -133.7 | 0 | 0 | 0 | 109.9 | Q507 V509 I529 S530 L571 P572 | Q507-Y518 HydrophobicContact CB-CE2 3.85Å; Q507-Y518 HydrophobicContact CG-CE2 3.8Å; Q507-Y518 WeakPolarHBondContact CG-OH 3.47Å; Q507-Y518 PolarHBondContact NE2-OH 2.84Å; V509-Y518 HydrophobicContact CG2-CD2 3.87Å; Y518-I529 HydrophobicContact CD1-CB 3.55Å; Y518-I529 HydrophobicContact CD1-CG1 4.12Å; Y518-I529 HydrophobicContact CD1-CG2 3.84Å; Y518-I529 HydrophobicContact CE1-CB 3.71Å; Y518-I529 HydrophobicContact CE1-CG1 3.85Å; Y518-I529 HydrophobicContact CE1-CG2 3.78Å; Y518-I529 HydrophobicContact CG-CB 4.41Å; Y518-I529 PolarHBondContact O-N 2.88Å; Y518-S530 PolarHBondContact N-O 3Å; Y518-L571 HydrophobicContact CD1-CD2 4.4Å; Y518-L571 HydrophobicContact CD2-CD2 4.32Å; Y518-L571 HydrophobicContact CG-CD2 4.17Å; Y518-P572 HydrophobicContact CD1-CB 3.93Å; Y518-P572 HydrophobicContact CE1-CB 3.68Å |
| 519 | L | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 141.4 | 175.9 | -41.2 | 175.6 | 0 | 0 | 0 | 109.5 | W490 V508 L510 K527 Q528 | W490-L519 HydrophobicContact CB-CD1 4Å; W490-L519 HydrophobicContact CD2-CD1 3.85Å; W490-L519 HydrophobicContact CD2-CD2 4.34Å; W490-L519 HydrophobicContact CE3-CD1 4.32Å; W490-L519 HydrophobicContact CG-CD1 3.7Å; W490-L519 HydrophobicContact CG-CD2 4.18Å; V508-L519 HydrophobicContact CB-CB 4.16Å; V508-L519 PolarHBondContact N-O 2.79Å; V508-L519 PolarHBondContact O-N 3.2Å; L510-L519 HydrophobicContact CD1-CD1 3.75Å; L510-L519 HydrophobicContact CD1-CG 4.43Å; L519-K527 CarbonylContact C-O 3.47Å; L519-K527 VanDerWaalsContact CA-O 3.3Å; L519-K527 WeakPolarHBondContact CA-O 3.46Å; L519-Q528 HydrophobicContact CD2-CB 3.59Å; L519-Q528 HydrophobicContact CD2-CG 3.82Å |
| 520 | Q | 94.6 | Very high | 94.4 | Very high | 46 Ų | 46 | 38.4 Ų | 38.4 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 136.9 | 170.1 | -164.6 | 171 | 15.4 | 0 | 0 | 109.1 | L522 K527 I529 E552 | Q520-L522 HydrophobicContact CG-CD2 4.48Å; Q520-K527 PolarHBondContact N-O 3.24Å; Q520-K527 PolarHBondContact O-N 2.77Å; Q520-I529 HydrophobicContact CB-CD1 4.07Å; Q520-I529 HydrophobicContact CB-CG1 3.8Å; Q520-E552 PolarHBondContact NE2-OE1 2.78Å |
| 521 | I | 94.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 115.3 | -179.4 | -54.2 | 174.9 | 0 | 0 | 0 | 107.6 | V463 I469 L478 T506 V508 L526 | V463-I521 HydrophobicContact CB-CD1 3.75Å; V463-I521 HydrophobicContact CB-CG2 4.32Å; V463-I521 HydrophobicContact CG1-CD1 3.63Å; V463-I521 HydrophobicContact CG2-CD1 4.21Å; V463-I521 HydrophobicContact CG2-CG2 3.99Å; I469-I521 HydrophobicContact CD1-CD1 3.97Å; I469-I521 HydrophobicContact CD1-CG1 4.43Å; L478-I521 HydrophobicContact CD1-CG2 4.04Å; L478-I521 HydrophobicContact CD2-CG2 4.46Å; T506-I521 WeakPolarHBondContact O-CB 3.34Å; T506-I521 PolarHBondContact O-N 2.92Å; V508-I521 HydrophobicContact CG2-CD1 3.8Å; V508-I521 HydrophobicContact CG2-CG1 3.82Å; I521-L526 HydrophobicContact CG1-CD2 4.32Å |
| 522 | L | 93.4 | Very high | 94.2 | Very high | 55 Ų | 55 | 44.4 Ų | 44.4 | 29% | 0.288 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 173.4 | 174.9 | -59.8 | 179 | 0 | 0 | 0 | 109.7 | Q467 Q520 G524 E525 K527 | Q467-L522 PolarHBondContact OE1-O 2.81Å; Q520-L522 HydrophobicContact CG-CD2 4.48Å; L522-G524 PolarHBondContact O-N 2.98Å; L522-E525 PolarHBondContact N-O 3.15Å; L522-E525 PolarHBondContact O-N 2.71Å; L522-K527 HydrophobicContact CD1-CB 3.9Å; L522-K527 HydrophobicContact CD1-CD 3.83Å; L522-K527 HydrophobicContact CG-CB 4.46Å |
| 523 | A | 91.8 | Very high | 94.2 | Very high | 75 Ų | 75 | 50.4 Ų | 50.4 | 62% | 0.62 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 101.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | H465 E525 | H465-A523 HydrophobicContact CB-CB 4.23Å; A523-E525 VanDerWaalsContact C-N 3.35Å; A523-E525 PolarHBondContact O-N 2.92Å |
| 524 | G | 89.9 | Confident | 94.2 | Very high | 30 Ų | 30 | 50.3 Ų | 50.3 | 31% | 0.309 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 8.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L522 | L522-G524 PolarHBondContact O-N 2.98Š|
| 525 | E | 94.3 | Very high | 94 | Very high | 107 Ų | 107 | 49.6 Ų | 49.6 | 50% | 0.5 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 137.9 | -176.3 | -173.3 | -176.3 | 173.4 | 0 | 0 | 111.7 | L522 A523 | L522-E525 PolarHBondContact N-O 3.15Å; L522-E525 PolarHBondContact O-N 2.71Å; A523-E525 VanDerWaalsContact C-N 3.35Å; A523-E525 PolarHBondContact O-N 2.92Å |
| 526 | L | 94.4 | Very high | 94 | Very high | 13 Ų | 13 | 50.6 Ų | 50.6 | 7% | 0.068 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 102.3 | 166.9 | -67.3 | 171 | 0 | 0 | 0 | 109.8 | I469 V476 L478 S488 W490 I521 | I469-L526 HydrophobicContact CD1-CD2 4.18Å; V476-L526 HydrophobicContact CB-CD1 4.11Å; V476-L526 HydrophobicContact CG1-CD1 3.71Å; L478-L526 HydrophobicContact CB-CD1 4.16Å; L478-L526 HydrophobicContact CB-CD2 4.31Å; L478-L526 HydrophobicContact CB-CG 4.06Å; L478-L526 HydrophobicContact CD1-CD2 4.35Å; L478-L526 HydrophobicContact CD2-CD2 3.98Å; L478-L526 HydrophobicContact CD2-CG 3.99Å; L478-L526 HydrophobicContact CG-CD2 4.48Å; S488-L526 PolarHBondContact OG-N 2.75Å; S488-L526 VanDerWaalsContact OG-N 3.1Å; W490-L526 HydrophobicContact CB-CB 4.43Å; W490-L526 HydrophobicContact CB-CD1 3.99Å; I521-L526 HydrophobicContact CG1-CD2 4.32Å |
| 527 | K | 94.4 | Very high | 94 | Very high | 101 Ų | 101 | 55 Ų | 55 | 44% | 0.439 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 117.4 | -177 | -173.5 | 179.6 | 179.3 | -178.7 | 0 | 111.2 | L519 Q520 L522 I529 | L519-K527 CarbonylContact C-O 3.47Å; L519-K527 VanDerWaalsContact CA-O 3.3Å; L519-K527 WeakPolarHBondContact CA-O 3.46Å; Q520-K527 PolarHBondContact N-O 3.24Å; Q520-K527 PolarHBondContact O-N 2.77Å; L522-K527 HydrophobicContact CD1-CB 3.9Å; L522-K527 HydrophobicContact CD1-CD 3.83Å; L522-K527 HydrophobicContact CG-CB 4.46Å; K527-I529 HydrophobicContact CD-CD1 3.9Å; K527-I529 HydrophobicContact CG-CD1 3.96Å; K527-I529 PolarHBondContact O-N 2.85Å |
| 528 | Q | 94.4 | Very high | 94 | Very high | 80 Ų | 80 | 54.1 Ų | 54.1 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 120.6 | 171.5 | -175.4 | 176.5 | -37.1 | 0 | 0 | 110.8 | L519 | L519-Q528 HydrophobicContact CD2-CB 3.59Å; L519-Q528 HydrophobicContact CD2-CG 3.82Å |
| 529 | I | 94.8 | Very high | 93.8 | Very high | 63 Ų | 63 | 54.1 Ų | 54.1 | 32% | 0.323 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -49.2 | -176.5 | -56.5 | -60.4 | 0 | 0 | 0 | 111.3 | Y518 Q520 K527 P572 | Y518-I529 HydrophobicContact CD1-CB 3.55Å; Y518-I529 HydrophobicContact CD1-CG1 4.12Å; Y518-I529 HydrophobicContact CD1-CG2 3.84Å; Y518-I529 HydrophobicContact CE1-CB 3.71Å; Y518-I529 HydrophobicContact CE1-CG1 3.85Å; Y518-I529 HydrophobicContact CE1-CG2 3.78Å; Y518-I529 HydrophobicContact CG-CB 4.41Å; Y518-I529 PolarHBondContact O-N 2.88Å; Q520-I529 HydrophobicContact CB-CD1 4.07Å; Q520-I529 HydrophobicContact CB-CG1 3.8Å; K527-I529 HydrophobicContact CD-CD1 3.9Å; K527-I529 HydrophobicContact CG-CD1 3.96Å; K527-I529 PolarHBondContact O-N 2.85Å; I529-P572 HydrophobicContact CG2-CB 3.98Å |
| 530 | S | 94 | Very high | 93.8 | Very high | 25 Ų | 25 | 54.5 Ų | 54.5 | 18% | 0.175 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 160.8 | -176.3 | 61.3 | 0 | 0 | 0 | 0 | 112.4 | Y518 P572 F574 | Y518-S530 PolarHBondContact N-O 3Å; S530-P572 VanDerWaalsContact CB-O 3.32Å; S530-P572 WeakPolarHBondContact CB-O 3.41Å; S530-P572 PolarHBondContact OG-O 3.34Å; S530-F574 WeakPolarHBondContact OG-CD2 3.42Å; S530-F574 VanDerWaalsContact OG-CE2 3.25Å; S530-F574 WeakPolarHBondContact OG-CE2 3.31Å |
| 531 | T | 93.8 | Very high | 93.9 | Very high | 81 Ų | 81 | 53 Ų | 53 | 50% | 0.497 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 145.3 | 173.7 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | L516 | L516-T531 WeakPolarHBondContact O-CA 3.17Å; L516-T531 PolarHBondContact O-OG1 3.1Å |
| 532 | T | 94.1 | Very high | 94 | Very high | 45 Ų | 45 | 53.7 Ų | 53.7 | 28% | 0.276 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 167 | 175.5 | -164.5 | 0 | 0 | 0 | 0 | 110 | A515 L516 M534 F574 | A515-T532 WeakPolarHBondContact CA-O 3.25Å; L516-T532 HydrophobicContact CB-CG2 3.72Å; L516-T532 HydrophobicContact CD1-CG2 3.93Å; L516-T532 HydrophobicContact CG-CG2 4.44Å; L516-T532 PolarHBondContact N-O 2.88Å; L516-T532 PolarHBondContact O-N 2.95Å; T532-M534 HydrophobicContact CG2-SD 4.47Å; T532-F574 HydrophobicContact CG2-CB 3.59Å; T532-F574 HydrophobicContact CG2-CD1 4.1Å; T532-F574 HydrophobicContact CG2-CD2 3.74Å; T532-F574 HydrophobicContact CG2-CE2 4.35Å; T532-F574 HydrophobicContact CG2-CG 3.57Å |
| 533 | E | 93.8 | Very high | 94.1 | Very high | 143 Ų | 143 | 51.1 Ų | 51.1 | 67% | 0.668 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.6 | 174.7 | -164.9 | 176.3 | -179.1 | 0 | 0 | 109.9 | R514 | R514-E533 HydrophobicContact CB-CG 3.94Å |
| 534 | M | 93.4 | Very high | 94.2 | Very high | 18 Ų | 18 | 49.3 Ų | 49.3 | 9% | 0.089 | 26% | 0.257 | C | S | . | . | trans | -86.1 | 158.9 | 179 | -60 | -57.9 | -74.1 | 0 | 0 | 111.2 | R514 L516 T532 H536 V538 V558 L560 L569 | R514-M534 PolarHBondContact O-N 2.92Å; L516-M534 HydrophobicContact CD1-CG 3.46Å; L516-M534 VanDerWaalsContact CD1-CG 3.46Å; L516-M534 HydrophobicContact CD1-SD 3.63Å; L516-M534 HydrophobicContact CG-CG 4.23Å; T532-M534 HydrophobicContact CG2-SD 4.47Å; M534-H536 WeakPolarHBondContact CB-O 3.04Å; M534-H536 PolarHBondContact O-N 3.46Å; M534-V538 HydrophobicContact CB-CG2 4.49Å; M534-V538 HydrophobicContact CG-CG2 4.02Å; M534-V558 HydrophobicContact CE-CG1 4.42Å; M534-L560 HydrophobicContact CB-CD2 4.14Å; M534-L560 HydrophobicContact CE-CD1 4.04Å; M534-L560 HydrophobicContact CE-CD2 4.12Å; M534-L560 HydrophobicContact CG-CD2 4.33Å; M534-L569 HydrophobicContact CE-CD1 4.26Å; M534-L569 HydrophobicContact SD-CD1 4.16Å | ||
| 535 | E | 91.3 | Very high | 94.3 | Very high | 102 Ų | 102 | 50 Ų | 50 | 48% | 0.477 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -59 | -37.1 | 176.5 | -70.4 | 162.3 | -140.3 | 0 | 0 | 112.2 | R567 K579 | E535-R567 IonicContact OE1-CZ 3.29Å; E535-R567 IonicContact OE1-NH1 3.8Å; E535-R567 PolarHBondContact OE1-NH1 3.18Å; E535-R567 IonicContact OE1-NH2 2.81Å; E535-R567 PolarHBondContact OE1-NH2 3.38Å; E535-R567 IonicContact OE2-CZ 3.81Å; E535-R567 IonicContact OE2-NH1 2.71Å; E535-R567 IonicContact OE2-NH2 3.24Å; E535-R567 PolarHBondContact OE2-NH2 2.96Å; E535-K579 IonicContact OE2-NZ 3.61Å |
| 536 | H | 93.9 | Very high | 93.9 | Very high | 44 Ų | 44 | 46.3 Ų | 46.3 | 20% | 0.204 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -134.5 | 172.2 | -176.7 | -56.2 | -55.9 | 0 | 0 | 0 | 110.9 | M534 L560 D563 | M534-H536 WeakPolarHBondContact CB-O 3.04Å; M534-H536 PolarHBondContact O-N 3.46Å; H536-L560 HydrophobicContact CB-CB 4.49Å; H536-D563 IonicContact CD2-OD1 2.69Å |
| 537 | E | 94.1 | Very high | 93 | Very high | 92 Ų | 92 | 47.4 Ų | 47.4 | 43% | 0.43 | 25% | 0.254 | S | S | . | . | trans | -65.1 | 143.9 | 177.5 | -67.8 | -177.4 | -177.5 | 0 | 0 | 111.4 | G513 R514 L560 W561 | G513-E537 WeakPolarHBondContact O-CA 3.36Å; R514-E537 HydrophobicContact CG-CG 4.08Å; E537-L560 WeakPolarHBondContact O-CA 3.43Å; E537-W561 HydrophobicContact CB-CG 4.27Å; E537-W561 PolarHBondContact O-N 3Å; E537-W561 VanDerWaalsContact O-N 3.07Å | ||
| 538 | V | 95.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 128.8 | 179.7 | 179 | 0 | 0 | 0 | 0 | 109.7 | A511 G513 L516 M534 L541 V558 L560 W561 | A511-V538 HydrophobicContact CB-CB 3.71Å; A511-V538 HydrophobicContact CB-CG1 3.92Å; A511-V538 HydrophobicContact CB-CG2 4.09Å; G513-V538 PolarHBondContact O-N 3.41Å; L516-V538 HydrophobicContact CD1-CG2 4.43Å; L516-V538 HydrophobicContact CD2-CG2 4.3Å; L516-V538 HydrophobicContact CG-CG2 4.26Å; M534-V538 HydrophobicContact CB-CG2 4.49Å; M534-V538 HydrophobicContact CG-CG2 4.02Å; V538-L541 HydrophobicContact CG1-CD1 4.22Å; V538-L541 HydrophobicContact CG1-CD2 3.8Å; V538-L541 HydrophobicContact CG1-CG 3.71Å; V538-V558 HydrophobicContact CG1-CG1 3.87Å; V538-V558 HydrophobicContact CG2-CG1 4.19Å; V538-L560 HydrophobicContact CG2-CD2 3.99Å; V538-W561 PolarHBondContact O-NE1 2.75Å |
| 539 | A | 94.3 | Very high | 89.6 | Confident | 9 Ų | 9 | 52.5 Ų | 52.5 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -41.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | V500 G559 W561 P588 | V500-A539 WeakPolarHBondContact CG2-O 3.4Å; A539-G559 PolarHBondContact N-O 3.42Å; A539-W561 VanDerWaalsContact CB-CD1 3.42Å; A539-W561 HydrophobicContact CB-CG 4.44Å; A539-P588 WeakPolarHBondContact CB-O 3.3Å |
| 540 | C | 95.3 | Very high | 87.9 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 153.7 | -178.8 | 50.3 | 0 | 0 | 0 | 0 | 110.8 | G559 I591 | C540-G559 PolarHBondContact O-N 3.08Å; C540-I591 HydrophobicContact CB-CB 4.4Å; C540-I591 HydrophobicContact CB-CG2 3.96Å |
| 541 | L | 96.8 | Very high | 87 | Confident | 15 Ų | 15 | 55.2 Ų | 55.2 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 145.2 | -177.4 | -71.1 | 171.4 | 0 | 0 | 0 | 110.1 | V500 A502 V509 A511 L516 V538 A557 V558 | V500-L541 HydrophobicContact CB-CD1 4.27Å; V500-L541 HydrophobicContact CG1-CB 4.11Å; V500-L541 HydrophobicContact CG1-CD1 4.07Å; V500-L541 HydrophobicContact CG1-CG 4.03Å; A502-L541 HydrophobicContact CB-CB 3.73Å; V509-L541 HydrophobicContact CG1-CD1 4.13Å; A511-L541 HydrophobicContact CB-CD1 3.92Å; L516-L541 HydrophobicContact CD2-CD1 3.9Å; L516-L541 HydrophobicContact CD2-CD2 3.85Å; L516-L541 HydrophobicContact CD2-CG 4.49Å; V538-L541 HydrophobicContact CG1-CD1 4.22Å; V538-L541 HydrophobicContact CG1-CD2 3.8Å; V538-L541 HydrophobicContact CG1-CG 3.71Å; L541-A557 WeakPolarHBondContact CA-O 3.39Å; L541-V558 HydrophobicContact CD2-CB 4.13Å; L541-V558 HydrophobicContact CD2-CG1 3.89Å; L541-V558 HydrophobicContact CD2-CG2 3.63Å |
| 542 | D | 96.9 | Very high | 86.6 | Confident | 18 Ų | 18 | 56.1 Ų | 56.1 | 10% | 0.096 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 144.8 | 167.6 | -177.5 | 51.9 | 0 | 0 | 0 | 111.9 | T544 C556 A557 I591 M593 | D542-T544 PolarHBondContact OD1-N 2.86Å; D542-T544 PolarHBondContact OD1-OG1 2.74Å; D542-T544 WeakPolarHBondContact OD2-CB 3.36Å; D542-T544 PolarHBondContact OD2-N 3.43Å; D542-T544 PolarHBondContact OD2-OG1 3.37Å; D542-C556 WeakPolarHBondContact O-CA 3.48Å; D542-A557 HydrophobicContact CB-CB 4.41Å; D542-A557 PolarHBondContact N-O 3.24Å; D542-A557 PolarHBondContact O-N 2.86Å; D542-I591 HydrophobicContact CB-CG2 4.05Å; D542-I591 WeakPolarHBondContact CB-O 3.41Å; D542-M593 WeakPolarHBondContact O-CE 3.39Å; D542-M593 WeakPolarHBondContact OD2-CB 3.33Å; D542-M593 PolarHBondContact OD2-N 3.21Å |
| 543 | I | 95.5 | Very high | 86.4 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | trans | -139.9 | 30.8 | 179.7 | 58.9 | 172.3 | 0 | 0 | 0 | 110.9 | A502 N504 Q507 V509 P545 S553 C556 L571 | A502-I543 HydrophobicContact CB-CD1 4.5Å; A502-I543 HydrophobicContact CB-CG1 4Å; N504-I543 HydrophobicContact CB-CG1 4.42Å; N504-I543 PolarHBondContact ND2-O 3.33Å; Q507-I543 HydrophobicContact CB-CD1 3.97Å; Q507-I543 WeakPolarHBondContact O-CD1 3.5Å; V509-I543 HydrophobicContact CB-CD1 4.45Å; V509-I543 HydrophobicContact CB-CG2 4.19Å; V509-I543 HydrophobicContact CG2-CD1 4.14Å; V509-I543 HydrophobicContact CG2-CG2 3.77Å; I543-P545 WeakPolarHBondContact O-CD 3.06Å; I543-S553 WeakPolarHBondContact O-CB 3.39Å; I543-C556 HydrophobicContact CG2-CB 3.88Å; I543-L571 HydrophobicContact CG2-CD1 4.09Å | ||
| 544 | T | 93.2 | Very high | 86.3 | Confident | 38 Ų | 38 | 51.6 Ų | 51.6 | 23% | 0.233 | 30% | 0.303 | C | S | . | . | trans | -59 | 122 | 176.8 | -62.7 | 0 | 0 | 0 | 0 | 109 | D542 | D542-T544 PolarHBondContact OD1-N 2.86Å; D542-T544 PolarHBondContact OD1-OG1 2.74Å; D542-T544 WeakPolarHBondContact OD2-CB 3.36Å; D542-T544 PolarHBondContact OD2-N 3.43Å; D542-T544 PolarHBondContact OD2-OG1 3.37Å | ||
| 545 | P | 91 | Very high | 86.3 | Confident | 45 Ų | 45 | 51 Ų | 51 | 29% | 0.292 | 30% | 0.301 | S | S | . | . | trans | -69.2 | 137.3 | -179.6 | 28.4 | -33.3 | 0 | 0 | 0 | 110.2 | I543 G550 | I543-P545 WeakPolarHBondContact O-CD 3.06Å; P545-G550 WeakPolarHBondContact CB-O 3.38Å | ||
| 546 | L | 86.3 | Confident | 86.5 | Confident | 29 Ų | 29 | 46.2 Ų | 46.2 | 15% | 0.152 | 28% | 0.278 | C | S | . | . | trans | -121.4 | 143.9 | -179.1 | -61.8 | 179.6 | 0 | 0 | 0 | 110.4 | M593 T595 Y600 L616 L618 | L546-M593 HydrophobicContact CD1-CB 3.91Å; L546-M593 HydrophobicContact CG-CB 4.38Å; L546-T595 WeakPolarHBondContact CD2-OG1 3.37Å; L546-Y600 HydrophobicContact CB-CD1 4.1Å; L546-Y600 HydrophobicContact CB-CE1 4.29Å; L546-Y600 HydrophobicContact CD1-CD1 4.22Å; L546-L616 HydrophobicContact CD1-CD2 3.67Å; L546-L618 HydrophobicContact CB-CD1 4.28Å; L546-L618 HydrophobicContact CB-CD2 3.67Å; L546-L618 HydrophobicContact CD1-CD2 3.71Å; L546-L618 HydrophobicContact CG-CD2 4.34Å | ||
| 547 | G | 75.6 | Confident | 86.6 | Confident | 36 Ų | 36 | 44.1 Ų | 44.1 | 37% | 0.371 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 106.6 | 158.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | G549 | G547-G549 PolarHBondContact O-N 3.5Š|
| 548 | E | 59.4 | Low | 86.7 | Confident | 205 Ų | 205 | 39.7 Ų | 39.7 | 96% | 0.958 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 115.6 | -179.8 | -69 | -172.3 | 167.2 | 0 | 0 | 111.2 | ||
| 549 | G | 57.5 | Low | 86.7 | Confident | 83 Ų | 83 | 39.5 Ų | 39.5 | 86% | 0.856 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | 7.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117 | G547 | G547-G549 PolarHBondContact O-N 3.5Š|
| 550 | G | 60.2 | Low | 86.7 | Confident | 34 Ų | 34 | 39.1 Ų | 39.1 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | trans | -92 | 110.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P545 E552 | P545-G550 WeakPolarHBondContact CB-O 3.38Å; G550-E552 VanDerWaalsContact C-N 3.26Å | ||
| 551 | N | 74.2 | Confident | 86.4 | Confident | 110 Ų | 110 | 44 Ų | 44 | 59% | 0.588 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -81.9 | -3.5 | 168.3 | -77.7 | -15.9 | 0 | 0 | 0 | 113.4 | T506 | T506-N551 HydrophobicContact CG2-CB 4.19Å; T506-N551 PolarHBondContact OG1-O 3.39Å |
| 552 | E | 85.8 | Confident | 85.8 | Confident | 101 Ų | 101 | 48.3 Ų | 48.3 | 47% | 0.472 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -125 | 135.7 | -178.8 | -67 | -173.2 | 162.1 | 0 | 0 | 109.4 | T506 Q520 G550 | T506-E552 WeakPolarHBondContact OG1-CG 3.22Å; Q520-E552 PolarHBondContact NE2-OE1 2.78Å; G550-E552 VanDerWaalsContact C-N 3.26Å |
| 553 | S | 91.2 | Very high | 85.4 | Confident | 8 Ų | 8 | 48.8 Ų | 48.8 | 6% | 0.056 | 29% | 0.29 | C | S | . | . | trans | -85.3 | 135.4 | 171.3 | -173.7 | 0 | 0 | 0 | 0 | 110.7 | Q507 I543 L555 | Q507-S553 PolarHBondContact NE2-O 3.02Å; Q507-S553 PolarHBondContact OE1-O 3.06Å; I543-S553 WeakPolarHBondContact O-CB 3.39Å; S553-L555 PolarHBondContact OG-N 2.96Å; S553-L555 VanDerWaalsContact OG-N 3.15Å; S553-L555 PolarHBondContact OG-O 3.24Å | ||
| 554 | T | 91.1 | Very high | 85.2 | Confident | 84 Ų | 84 | 49.2 Ų | 49.2 | 52% | 0.515 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -87 | -13.7 | 170.3 | 56.7 | 0 | 0 | 0 | 0 | 112.3 | L571 | T554-L571 PolarHBondContact O-N 3.21Š|
| 555 | L | 93.7 | Very high | 85.2 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 150.9 | -173.1 | -57.3 | 178.6 | 0 | 0 | 0 | 111.2 | S553 V568 L569 L577 M593 L616 L618 | S553-L555 PolarHBondContact OG-N 2.96Å; S553-L555 VanDerWaalsContact OG-N 3.15Å; S553-L555 PolarHBondContact OG-O 3.24Å; L555-V568 HydrophobicContact CB-CG1 4.28Å; L555-V568 HydrophobicContact CD1-CG1 4.3Å; L555-V568 HydrophobicContact CD2-CG1 4.05Å; L555-V568 HydrophobicContact CG-CG1 4.44Å; L555-L569 CarbonylContact C-O 3.54Å; L555-L569 WeakPolarHBondContact CA-O 3.3Å; L555-L577 HydrophobicContact CD2-CD1 3.48Å; L555-L577 VanDerWaalsContact CD2-CD1 3.48Å; L555-M593 HydrophobicContact CB-SD 4.14Å; L555-L616 HydrophobicContact CD1-CD1 4.39Å; L555-L616 HydrophobicContact CD1-CD2 4.34Å; L555-L618 HydrophobicContact CD1-CD2 4.17Å |
| 556 | C | 95.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 120.6 | 171.5 | 176.8 | 0 | 0 | 0 | 0 | 108.8 | D542 I543 L569 L571 | D542-C556 WeakPolarHBondContact O-CA 3.48Å; I543-C556 HydrophobicContact CG2-CB 3.88Å; C556-L569 HydrophobicContact CB-CB 4.36Å; C556-L569 PolarHBondContact N-O 3.42Å; C556-L569 PolarHBondContact O-N 3.41Å; C556-L571 HydrophobicContact CB-CD1 4.11Å; C556-L571 HydrophobicContact CB-CD2 4.17Å; C556-L571 HydrophobicContact CB-CG 3.96Å |
| 557 | A | 96.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 133.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110 | L541 D542 I591 M593 L602 | L541-A557 WeakPolarHBondContact CA-O 3.39Å; D542-A557 HydrophobicContact CB-CB 4.41Å; D542-A557 PolarHBondContact N-O 3.24Å; D542-A557 PolarHBondContact O-N 2.86Å; A557-I591 HydrophobicContact CB-CD1 3.76Å; A557-I591 HydrophobicContact CB-CG1 3.98Å; A557-I591 HydrophobicContact CB-CG2 4.36Å; A557-M593 HydrophobicContact CB-CE 4.29Å; A557-M593 HydrophobicContact CB-CG 3.95Å; A557-M593 HydrophobicContact CB-SD 3.93Å; A557-L602 HydrophobicContact CB-CD1 3.62Å |
| 558 | V | 96.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 129 | -174.6 | -171.5 | 0 | 0 | 0 | 0 | 110.7 | M534 V538 L541 L560 R567 L569 | M534-V558 HydrophobicContact CE-CG1 4.42Å; V538-V558 HydrophobicContact CG1-CG1 3.87Å; V538-V558 HydrophobicContact CG2-CG1 4.19Å; L541-V558 HydrophobicContact CD2-CB 4.13Å; L541-V558 HydrophobicContact CD2-CG1 3.89Å; L541-V558 HydrophobicContact CD2-CG2 3.63Å; V558-L560 HydrophobicContact CG1-CD2 3.95Å; V558-R567 PolarHBondContact N-O 3.17Å; V558-R567 PolarHBondContact O-N 3.2Å; V558-L569 HydrophobicContact CG2-CD1 3.57Å; V558-L569 HydrophobicContact CG2-CG 3.9Å |
| 559 | G | 95.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 136.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A539 C540 S565 | A539-G559 PolarHBondContact N-O 3.42Å; C540-G559 PolarHBondContact O-N 3.08Å; G559-S565 WeakPolarHBondContact CA-O 3.42Å |
| 560 | L | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 152.9 | -178.2 | -60.7 | -177.1 | 0 | 0 | 0 | 112.6 | M534 H536 E537 V538 V558 D563 S565 P588 | M534-L560 HydrophobicContact CB-CD2 4.14Å; M534-L560 HydrophobicContact CE-CD1 4.04Å; M534-L560 HydrophobicContact CE-CD2 4.12Å; M534-L560 HydrophobicContact CG-CD2 4.33Å; H536-L560 HydrophobicContact CB-CB 4.49Å; E537-L560 WeakPolarHBondContact O-CA 3.43Å; V538-L560 HydrophobicContact CG2-CD2 3.99Å; V558-L560 HydrophobicContact CG1-CD2 3.95Å; L560-D563 VanDerWaalsContact CB-OD1 3.26Å; L560-D563 WeakPolarHBondContact CB-OD1 3.41Å; L560-S565 PolarHBondContact N-O 2.66Å; L560-P588 WeakPolarHBondContact O-CD 3.5Å |
| 561 | W | 88.4 | Confident | 91.6 | Very high | 110 Ų | 110 | 33.1 Ų | 33.1 | 42% | 0.417 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -73.1 | -69.9 | -176.8 | -73 | 51.3 | 0 | 0 | 0 | 113.4 | E537 V538 A539 I564 I587 | E537-W561 HydrophobicContact CB-CG 4.27Å; E537-W561 PolarHBondContact O-N 3Å; E537-W561 VanDerWaalsContact O-N 3.07Å; V538-W561 PolarHBondContact O-NE1 2.75Å; A539-W561 VanDerWaalsContact CB-CD1 3.42Å; A539-W561 HydrophobicContact CB-CG 4.44Å; W561-I564 WeakPolarHBondContact O-CG1 3.19Å; W561-I564 PolarHBondContact O-N 3.35Å; W561-I587 HydrophobicContact CB-CG2 4.13Å; W561-I587 HydrophobicContact CD2-CD1 3.94Å; W561-I587 HydrophobicContact CD2-CG2 4.43Å; W561-I587 HydrophobicContact CE3-CD1 4.12Å; W561-I587 HydrophobicContact CG-CD1 4.49Å; W561-I587 HydrophobicContact CG-CG2 4.28Å; W561-I587 HydrophobicContact CH2-CD1 4.32Å; W561-I587 HydrophobicContact CZ2-CD1 4.14Å; W561-I587 HydrophobicContact CZ3-CD1 4.31Å |
| 562 | T | 85.7 | Confident | 92.4 | Very high | 105 Ų | 105 | 31.2 Ų | 31.2 | 64% | 0.644 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -38 | -162.1 | -48.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 563 | D | 87.3 | Confident | 92.4 | Very high | 28 Ų | 28 | 29.8 Ų | 29.8 | 15% | 0.15 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -4.8 | 177.8 | 72.9 | -18 | 0 | 0 | 0 | 112.7 | H536 L560 S565 R567 K579 | H536-D563 IonicContact CD2-OD1 2.69Å; L560-D563 VanDerWaalsContact CB-OD1 3.26Å; L560-D563 WeakPolarHBondContact CB-OD1 3.41Å; D563-S565 PolarHBondContact O-N 3.07Å; D563-S565 PolarHBondContact OD1-N 3.4Å; D563-S565 PolarHBondContact OD1-OG 3.33Å; D563-S565 PolarHBondContact OD2-OG 3.06Å; D563-R567 IonicContact OD2-CZ 3.99Å; D563-R567 IonicContact OD2-NE 3.59Å; D563-R567 IonicContact OD2-NH2 3.65Å; D563-R567 PolarHBondContact OD2-NH2 3.15Å; D563-K579 WeakPolarHBondContact OD2-CE 3.39Å; D563-K579 IonicContact OD2-NZ 3.53Å; D563-K579 PolarHBondContact OD2-NZ 2.84Å; D563-K579 VanDerWaalsContact OD2-NZ 3.15Å |
| 564 | I | 91.1 | Very high | 92.5 | Very high | 11 Ų | 11 | 30 Ų | 30 | 6% | 0.056 | 16% | 0.161 | C | C | . | . | trans | 47.1 | 54.2 | 178.5 | -50.8 | 164.2 | 0 | 0 | 0 | 109.7 | W561 L582 G584 E585 I586 | W561-I564 WeakPolarHBondContact O-CG1 3.19Å; W561-I564 PolarHBondContact O-N 3.35Å; I564-L582 HydrophobicContact CG2-CB 4.18Å; I564-L582 PolarHBondContact O-N 3.18Å; I564-L582 VanDerWaalsContact O-N 3.09Å; I564-G584 VanDerWaalsContact CD1-C 3.41Å; I564-G584 WeakPolarHBondContact CD1-O 3.21Å; I564-E585 VanDerWaalsContact CD1-C 3.46Å; I564-I586 VanDerWaalsContact CG2-O 3.24Å; I564-I586 WeakPolarHBondContact CG2-O 3.35Å | ||
| 565 | S | 92.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 140.7 | -179.8 | 67.2 | 0 | 0 | 0 | 0 | 111.5 | G559 L560 D563 R567 E580 | G559-S565 WeakPolarHBondContact CA-O 3.42Å; L560-S565 PolarHBondContact N-O 2.66Å; D563-S565 PolarHBondContact O-N 3.07Å; D563-S565 PolarHBondContact OD1-N 3.4Å; D563-S565 PolarHBondContact OD1-OG 3.33Å; D563-S565 PolarHBondContact OD2-OG 3.06Å; S565-R567 PolarHBondContact OG-NE 2.79Å; S565-R567 VanDerWaalsContact OG-NE 3.16Å; S565-E580 VanDerWaalsContact CA-O 3.29Å; S565-E580 WeakPolarHBondContact CA-O 3.49Å; S565-E580 WeakPolarHBondContact CB-O 3.38Å |
| 566 | A | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 125.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108 | E580 L582 I591 | A566-E580 PolarHBondContact N-O 2.94Å; A566-E580 PolarHBondContact O-N 2.95Å; A566-L582 HydrophobicContact CB-CD1 4.16Å; A566-L582 HydrophobicContact CB-CD2 4.44Å; A566-L582 HydrophobicContact CB-CG 4.4Å; A566-I591 HydrophobicContact CB-CD1 4.4Å |
| 567 | R | 94.8 | Very high | 92.3 | Very high | 15 Ų | 15 | 35.2 Ų | 35.2 | 6% | 0.057 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 143.3 | -177.7 | -55 | -167.2 | -170.6 | -168.5 | 6.5 | 110.6 | E535 V558 D563 S565 L569 H578 K579 | E535-R567 IonicContact OE1-CZ 3.29Å; E535-R567 IonicContact OE1-NH1 3.8Å; E535-R567 PolarHBondContact OE1-NH1 3.18Å; E535-R567 IonicContact OE1-NH2 2.81Å; E535-R567 PolarHBondContact OE1-NH2 3.38Å; E535-R567 IonicContact OE2-CZ 3.81Å; E535-R567 IonicContact OE2-NH1 2.71Å; E535-R567 IonicContact OE2-NH2 3.24Å; E535-R567 PolarHBondContact OE2-NH2 2.96Å; V558-R567 PolarHBondContact N-O 3.17Å; V558-R567 PolarHBondContact O-N 3.2Å; D563-R567 IonicContact OD2-CZ 3.99Å; D563-R567 IonicContact OD2-NE 3.59Å; D563-R567 IonicContact OD2-NH2 3.65Å; D563-R567 PolarHBondContact OD2-NH2 3.15Å; S565-R567 PolarHBondContact OG-NE 2.79Å; S565-R567 VanDerWaalsContact OG-NE 3.16Å; R567-L569 HydrophobicContact CB-CD2 4.45Å; R567-H578 VanDerWaalsContact CA-O 3.3Å; R567-H578 WeakPolarHBondContact CA-O 3.45Å; R567-K579 HydrophobicContact CG-CB 4.32Å; R567-K579 HydrophobicContact CG-CG 4.15Å; R567-K579 VanDerWaalsContact NH2-CE 3.33Å |
| 568 | V | 95.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 120.1 | 170.2 | -176.6 | 0 | 0 | 0 | 0 | 107.8 | L555 L577 H578 L602 L616 L623 | L555-V568 HydrophobicContact CB-CG1 4.28Å; L555-V568 HydrophobicContact CD1-CG1 4.3Å; L555-V568 HydrophobicContact CD2-CG1 4.05Å; L555-V568 HydrophobicContact CG-CG1 4.44Å; V568-L577 HydrophobicContact CG1-CD1 4.46Å; V568-L577 PolarHBondContact O-N 2.86Å; V568-H578 HydrophobicContact CB-CB 4.45Å; V568-H578 PolarHBondContact N-O 3.08Å; V568-H578 PolarHBondContact O-N 2.8Å; V568-L602 HydrophobicContact CG2-CD2 4.24Å; V568-L616 HydrophobicContact CG2-CD1 4.35Å; V568-L623 HydrophobicContact CG2-CD1 4.26Å; V568-L623 HydrophobicContact CG2-CD2 4Å; V568-L623 HydrophobicContact CG2-CG 4.16Å |
| 569 | L | 95.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 145.5 | 178.6 | -53.9 | -175.4 | 0 | 0 | 0 | 110 | L516 M534 L555 C556 V558 R567 F574 T575 A576 | L516-L569 HydrophobicContact CD1-CD1 4.15Å; M534-L569 HydrophobicContact CE-CD1 4.26Å; M534-L569 HydrophobicContact SD-CD1 4.16Å; L555-L569 CarbonylContact C-O 3.54Å; L555-L569 WeakPolarHBondContact CA-O 3.3Å; C556-L569 HydrophobicContact CB-CB 4.36Å; C556-L569 PolarHBondContact N-O 3.42Å; C556-L569 PolarHBondContact O-N 3.41Å; V558-L569 HydrophobicContact CG2-CD1 3.57Å; V558-L569 HydrophobicContact CG2-CG 3.9Å; R567-L569 HydrophobicContact CB-CD2 4.45Å; L569-F574 HydrophobicContact CB-CD1 4.41Å; L569-F574 HydrophobicContact CD1-CD1 3.86Å; L569-T575 WeakPolarHBondContact CA-O 3.49Å; L569-A576 HydrophobicContact CD2-CB 3.83Å |
| 570 | K | 93.9 | Very high | 92 | Very high | 102 Ų | 102 | 43.4 Ų | 43.4 | 44% | 0.443 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 129 | 173 | -165.6 | 173 | -177.7 | 169.2 | 0 | 111 | C573 F574 T575 L577 | K570-C573 PolarHBondContact O-N 3.13Å; K570-F574 VanDerWaalsContact O-CA 3.27Å; K570-F574 WeakPolarHBondContact O-CA 3.34Å; K570-F574 PolarHBondContact O-N 3.04Å; K570-T575 WeakPolarHBondContact CB-OG1 3.21Å; K570-T575 PolarHBondContact N-O 3.12Å; K570-L577 HydrophobicContact CB-CD1 3.94Å; K570-L577 HydrophobicContact CB-CD2 4.24Å; K570-L577 HydrophobicContact CB-CG 4.07Å; K570-L577 HydrophobicContact CD-CD2 4.46Å; K570-L577 HydrophobicContact CG-CD1 4.45Å |
| 571 | L | 91.2 | Very high | 91.9 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 6% | 0.058 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 141.8 | 167.4 | -68 | 175 | 0 | 0 | 0 | 109.9 | V509 Y518 I543 T554 C556 F574 | V509-L571 HydrophobicContact CG2-CD1 4.44Å; V509-L571 HydrophobicContact CG2-CD2 4.28Å; Y518-L571 HydrophobicContact CD1-CD2 4.4Å; Y518-L571 HydrophobicContact CD2-CD2 4.32Å; Y518-L571 HydrophobicContact CG-CD2 4.17Å; I543-L571 HydrophobicContact CG2-CD1 4.09Å; T554-L571 PolarHBondContact O-N 3.21Å; C556-L571 HydrophobicContact CB-CD1 4.11Å; C556-L571 HydrophobicContact CB-CD2 4.17Å; C556-L571 HydrophobicContact CB-CG 3.96Å; L571-F574 HydrophobicContact CD2-CD1 4.18Å; L571-F574 HydrophobicContact CD2-CE1 3.76Å; L571-F574 HydrophobicContact CD2-CZ 4.11Å |
| 572 | P | 90.6 | Very high | 91.8 | Very high | 70 Ų | 70 | 42.9 Ų | 42.9 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -90.2 | -5.2 | 3.6 | 36.1 | -37.4 | 0 | 0 | 0 | 114.9 | Y518 I529 S530 F574 | Y518-P572 HydrophobicContact CD1-CB 3.93Å; Y518-P572 HydrophobicContact CE1-CB 3.68Å; I529-P572 HydrophobicContact CG2-CB 3.98Å; S530-P572 VanDerWaalsContact CB-O 3.32Å; S530-P572 WeakPolarHBondContact CB-O 3.41Å; S530-P572 PolarHBondContact OG-O 3.34Å; P572-F574 PolarHBondContact O-N 3.33Å |
| 573 | C | 87.6 | Confident | 91.4 | Very high | 71 Ų | 71 | 39.8 Ų | 39.8 | 48% | 0.48 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -8.7 | -167.1 | 51.9 | 0 | 0 | 0 | 0 | 115.7 | K570 T575 | K570-C573 PolarHBondContact O-N 3.13Å; C573-T575 HydrophobicContact CB-CG2 4.12Å; C573-T575 PolarHBondContact O-N 3.2Å; C573-T575 PolarHBondContact SG-OG1 3.39Å; C573-T575 VanDerWaalsContact SG-OG1 3.32Å |
| 574 | F | 91.9 | Very high | 90.9 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 6% | 0.057 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 27.7 | -173.8 | -68.8 | -67 | 0 | 0 | 0 | 114.8 | V509 L516 S530 T532 L569 K570 L571 P572 A576 | V509-F574 HydrophobicContact CG1-CE1 4.27Å; V509-F574 HydrophobicContact CG1-CZ 4.29Å; L516-F574 HydrophobicContact CB-CE1 4.43Å; L516-F574 HydrophobicContact CB-CZ 4.24Å; S530-F574 WeakPolarHBondContact OG-CD2 3.42Å; S530-F574 VanDerWaalsContact OG-CE2 3.25Å; S530-F574 WeakPolarHBondContact OG-CE2 3.31Å; T532-F574 HydrophobicContact CG2-CB 3.59Å; T532-F574 HydrophobicContact CG2-CD1 4.1Å; T532-F574 HydrophobicContact CG2-CD2 3.74Å; T532-F574 HydrophobicContact CG2-CE2 4.35Å; T532-F574 HydrophobicContact CG2-CG 3.57Å; L569-F574 HydrophobicContact CB-CD1 4.41Å; L569-F574 HydrophobicContact CD1-CD1 3.86Å; K570-F574 VanDerWaalsContact O-CA 3.27Å; K570-F574 WeakPolarHBondContact O-CA 3.34Å; K570-F574 PolarHBondContact O-N 3.04Å; L571-F574 HydrophobicContact CD2-CD1 4.18Å; L571-F574 HydrophobicContact CD2-CE1 3.76Å; L571-F574 HydrophobicContact CD2-CZ 4.11Å; P572-F574 PolarHBondContact O-N 3.33Å; F574-A576 PolarHBondContact O-N 2.78Å |
| 575 | T | 92.4 | Very high | 90.3 | Very high | 68 Ų | 68 | 50.2 Ų | 50.2 | 42% | 0.417 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 127.5 | 174.3 | 53 | 0 | 0 | 0 | 0 | 109.3 | L569 K570 C573 L577 | L569-T575 WeakPolarHBondContact CA-O 3.49Å; K570-T575 WeakPolarHBondContact CB-OG1 3.21Å; K570-T575 PolarHBondContact N-O 3.12Å; C573-T575 HydrophobicContact CB-CG2 4.12Å; C573-T575 PolarHBondContact O-N 3.2Å; C573-T575 PolarHBondContact SG-OG1 3.39Å; C573-T575 VanDerWaalsContact SG-OG1 3.32Å; T575-L577 PolarHBondContact O-N 3.25Å |
| 576 | A | 90.7 | Very high | 90.1 | Very high | 64 Ų | 64 | 53.5 Ų | 53.5 | 53% | 0.529 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 118 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L569 F574 | L569-A576 HydrophobicContact CD2-CB 3.83Å; F574-A576 PolarHBondContact O-N 2.78Å |
| 577 | L | 92.6 | Very high | 90 | Very high | 68 Ų | 68 | 55.3 Ų | 55.3 | 36% | 0.356 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -46.6 | 176.9 | -63.8 | 177 | 0 | 0 | 0 | 110.6 | L555 V568 K570 T575 | L555-L577 HydrophobicContact CD2-CD1 3.48Å; L555-L577 VanDerWaalsContact CD2-CD1 3.48Å; V568-L577 HydrophobicContact CG1-CD1 4.46Å; V568-L577 PolarHBondContact O-N 2.86Å; K570-L577 HydrophobicContact CB-CD1 3.94Å; K570-L577 HydrophobicContact CB-CD2 4.24Å; K570-L577 HydrophobicContact CB-CG 4.07Å; K570-L577 HydrophobicContact CD-CD2 4.46Å; K570-L577 HydrophobicContact CG-CD1 4.45Å; T575-L577 PolarHBondContact O-N 3.25Å |
| 578 | H | 94.1 | Very high | 89.9 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 20% | 0.204 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 143.1 | 178.9 | -164.2 | 88.7 | 0 | 0 | 0 | 110.8 | R567 V568 E580 G621 | R567-H578 VanDerWaalsContact CA-O 3.3Å; R567-H578 WeakPolarHBondContact CA-O 3.45Å; V568-H578 HydrophobicContact CB-CB 4.45Å; V568-H578 PolarHBondContact N-O 3.08Å; V568-H578 PolarHBondContact O-N 2.8Å; H578-E580 IonicContact NE2-OE2 3.74Å; H578-E580 PolarHBondContact NE2-OE2 2.87Å; H578-G621 WeakPolarHBondContact CB-O 3.31Å |
| 579 | K | 93.9 | Very high | 89.8 | Confident | 88 Ų | 88 | 60.7 Ų | 60.7 | 38% | 0.383 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 112.9 | 172.8 | 175.8 | 177.5 | -178.3 | 170.9 | 0 | 108.2 | E535 D563 R567 | E535-K579 IonicContact OE2-NZ 3.61Å; D563-K579 WeakPolarHBondContact OD2-CE 3.39Å; D563-K579 IonicContact OD2-NZ 3.53Å; D563-K579 PolarHBondContact OD2-NZ 2.84Å; D563-K579 VanDerWaalsContact OD2-NZ 3.15Å; R567-K579 HydrophobicContact CG-CB 4.32Å; R567-K579 HydrophobicContact CG-CG 4.15Å; R567-K579 VanDerWaalsContact NH2-CE 3.33Å |
| 580 | E | 93.7 | Very high | 89.8 | Confident | 41 Ų | 41 | 61.2 Ų | 61.2 | 19% | 0.192 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131.4 | 176 | -173.1 | 61.8 | -155.3 | 0 | 0 | 110.1 | S565 A566 H578 L582 F614 L623 R626 | S565-E580 VanDerWaalsContact CA-O 3.29Å; S565-E580 WeakPolarHBondContact CA-O 3.49Å; S565-E580 WeakPolarHBondContact CB-O 3.38Å; A566-E580 PolarHBondContact N-O 2.94Å; A566-E580 PolarHBondContact O-N 2.95Å; H578-E580 IonicContact NE2-OE2 3.74Å; H578-E580 PolarHBondContact NE2-OE2 2.87Å; E580-L582 HydrophobicContact CG-CD2 4.37Å; E580-F614 HydrophobicContact CG-CE1 3.72Å; E580-F614 HydrophobicContact CG-CZ 3.84Å; E580-L623 HydrophobicContact CB-CD1 4.14Å; E580-R626 WeakPolarHBondContact OE1-CD 3.28Å; E580-R626 IonicContact OE1-NH1 3.66Å; E580-R626 PolarHBondContact OE1-NH1 3.22Å; E580-R626 VanDerWaalsContact OE1-NH1 3.14Å |
| 581 | M | 92.1 | Very high | 90 | Very high | 91 Ų | 91 | 56.7 Ų | 56.7 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 110.9 | 178.8 | -153.4 | 69.6 | 77.3 | 0 | 0 | 109.7 | R626 | M581-R626 PolarHBondContact O-NH1 3.31Å |
| 582 | L | 86.6 | Confident | 90.2 | Very high | 7 Ų | 7 | 56.6 Ų | 56.6 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | trans | -78 | -32.7 | -176 | -56.5 | 174.9 | 0 | 0 | 0 | 111.4 | I564 A566 E580 P588 L606 F612 F614 R626 | I564-L582 HydrophobicContact CG2-CB 4.18Å; I564-L582 PolarHBondContact O-N 3.18Å; I564-L582 VanDerWaalsContact O-N 3.09Å; A566-L582 HydrophobicContact CB-CD1 4.16Å; A566-L582 HydrophobicContact CB-CD2 4.44Å; A566-L582 HydrophobicContact CB-CG 4.4Å; E580-L582 HydrophobicContact CG-CD2 4.37Å; L582-P588 HydrophobicContact CD1-CG 4.13Å; L582-L606 HydrophobicContact CD1-CD2 3.93Å; L582-F612 HydrophobicContact CB-CE2 4.35Å; L582-F612 HydrophobicContact CD2-CB 4.27Å; L582-F612 HydrophobicContact CD2-CD1 4.41Å; L582-F612 HydrophobicContact CD2-CD2 4.06Å; L582-F612 HydrophobicContact CD2-CG 3.98Å; L582-F614 HydrophobicContact CD2-CE2 4.24Å; L582-F614 HydrophobicContact CD2-CZ 3.77Å; L582-R626 PolarHBondContact O-NH2 3.15Å | ||
| 583 | G | 76.8 | Confident | 90.5 | Very high | 41 Ų | 41 | 53.3 Ų | 53.3 | 42% | 0.423 | 30% | 0.302 | S | S | . | . | trans | 80.3 | 163.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 584 | G | 77.1 | Confident | 90.7 | Very high | 69 Ų | 69 | 50.1 Ų | 50.1 | 71% | 0.711 | 28% | 0.28 | S | S | * | . | S | Bend | trans | 101.7 | -161.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I564 | I564-G584 VanDerWaalsContact CD1-C 3.41Å; I564-G584 WeakPolarHBondContact CD1-O 3.21Å |
| 585 | E | 79.4 | Confident | 90.7 | Very high | 188 Ų | 188 | 51.7 Ų | 51.7 | 88% | 0.879 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -116.8 | -1 | 174.5 | -65.5 | -174.9 | 172.1 | 0 | 0 | 112.3 | I564 | I564-E585 VanDerWaalsContact CD1-C 3.46Š|
| 586 | I | 86.9 | Confident | 90.5 | Very high | 69 Ų | 69 | 48.7 Ų | 48.7 | 35% | 0.354 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -103.8 | 126.3 | -167.9 | -53.1 | -175 | 0 | 0 | 0 | 109.8 | I564 L606 D608 | I564-I586 VanDerWaalsContact CG2-O 3.24Å; I564-I586 WeakPolarHBondContact CG2-O 3.35Å; I586-L606 HydrophobicContact CG2-CB 4.42Å; I586-D608 HydrophobicContact CD1-CB 3.56Å; I586-D608 HydrophobicContact CG2-CB 4.2Å |
| 587 | I | 92.3 | Very high | 90 | Very high | 39 Ų | 39 | 49.6 Ų | 49.6 | 20% | 0.2 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 152.3 | -172.4 | 64.4 | 175 | 0 | 0 | 0 | 113 | W561 G607 | W561-I587 HydrophobicContact CB-CG2 4.13Å; W561-I587 HydrophobicContact CD2-CD1 3.94Å; W561-I587 HydrophobicContact CD2-CG2 4.43Å; W561-I587 HydrophobicContact CE3-CD1 4.12Å; W561-I587 HydrophobicContact CG-CD1 4.49Å; W561-I587 HydrophobicContact CG-CG2 4.28Å; W561-I587 HydrophobicContact CH2-CD1 4.32Å; W561-I587 HydrophobicContact CZ2-CD1 4.14Å; W561-I587 HydrophobicContact CZ3-CD1 4.31Å; I587-G607 PolarHBondContact O-N 2.65Å |
| 588 | P | 93.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 136.6 | 166 | -21.1 | 34.7 | 0 | 0 | 0 | 111.5 | A539 L560 L582 A605 L606 | A539-P588 WeakPolarHBondContact CB-O 3.3Å; L560-P588 WeakPolarHBondContact O-CD 3.5Å; L582-P588 HydrophobicContact CD1-CG 4.13Å; P588-A605 CarbonylContact C-O 3.58Å; P588-A605 WeakPolarHBondContact CA-O 3.35Å; P588-L606 HydrophobicContact CB-CD2 4.25Å; P588-L606 HydrophobicContact CG-CD2 4.05Å |
| 589 | R | 93 | Very high | 89.1 | Confident | 127 Ų | 127 | 47.9 Ų | 47.9 | 48% | 0.479 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | -32 | 179.6 | -75.5 | -65.8 | -61.1 | 164.6 | -0.1 | 113.7 | A605 P635 | R589-A605 PolarHBondContact N-O 2.85Å; R589-P635 HydrophobicContact CB-CB 4.24Å; R589-P635 HydrophobicContact CG-CB 3.88Å |
| 590 | S | 95.6 | Very high | 89 | Confident | 14 Ų | 14 | 47 Ų | 47 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 139.4 | 177.1 | -166.7 | 0 | 0 | 0 | 0 | 109.5 | A605 T636 L638 | S590-A605 PolarHBondContact N-O 2.82Å; S590-A605 PolarHBondContact O-N 2.87Å; S590-T636 VanDerWaalsContact CB-O 3.28Å; S590-T636 WeakPolarHBondContact CB-O 3.31Å; S590-L638 PolarHBondContact OG-N 2.91Å |
| 591 | I | 96.7 | Very high | 89 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 144.2 | 175.5 | -163.5 | 164.9 | 0 | 0 | 0 | 108.2 | C540 D542 A557 A566 L602 L603 C604 | C540-I591 HydrophobicContact CB-CB 4.4Å; C540-I591 HydrophobicContact CB-CG2 3.96Å; D542-I591 HydrophobicContact CB-CG2 4.05Å; D542-I591 WeakPolarHBondContact CB-O 3.41Å; A557-I591 HydrophobicContact CB-CD1 3.76Å; A557-I591 HydrophobicContact CB-CG1 3.98Å; A557-I591 HydrophobicContact CB-CG2 4.36Å; A566-I591 HydrophobicContact CB-CD1 4.4Å; I591-L602 HydrophobicContact CD1-CD1 4.16Å; I591-L602 HydrophobicContact CD1-CD2 4.45Å; I591-L602 HydrophobicContact CG1-CD1 3.87Å; I591-L602 HydrophobicContact CG1-CG 4.49Å; I591-L603 CarbonylContact C-O 3.56Å; I591-L603 VanDerWaalsContact CA-O 3.29Å; I591-L603 WeakPolarHBondContact CA-O 3.39Å; I591-L603 WeakPolarHBondContact CG1-O 3.45Å; I591-C604 HydrophobicContact CG1-CB 4.34Å |
| 592 | L | 96.7 | Very high | 89.1 | Confident | 9 Ų | 9 | 42 Ų | 42 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 129.8 | -176.5 | 179.3 | 64.4 | 0 | 0 | 0 | 111.2 | L603 L638 T640 V649 | L592-L603 PolarHBondContact N-O 2.92Å; L592-L603 PolarHBondContact O-N 2.93Å; L592-L638 HydrophobicContact CB-CB 4.15Å; L592-L638 HydrophobicContact CB-CD1 4.11Å; L592-L638 HydrophobicContact CD2-CB 3.99Å; L592-T640 HydrophobicContact CD1-CG2 3.91Å; L592-T640 HydrophobicContact CD2-CG2 3.66Å; L592-T640 HydrophobicContact CG-CG2 4.22Å; L592-V649 HydrophobicContact CD2-CB 4.38Å; L592-V649 HydrophobicContact CD2-CG1 3.72Å; L592-V649 HydrophobicContact CD2-CG2 3.69Å |
| 593 | M | 95.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 131.2 | 168.9 | -65.6 | 179.4 | -61 | 0 | 0 | 109.2 | D542 L546 L555 A557 Y601 L602 L616 | D542-M593 WeakPolarHBondContact O-CE 3.39Å; D542-M593 WeakPolarHBondContact OD2-CB 3.33Å; D542-M593 PolarHBondContact OD2-N 3.21Å; L546-M593 HydrophobicContact CD1-CB 3.91Å; L546-M593 HydrophobicContact CG-CB 4.38Å; L555-M593 HydrophobicContact CB-SD 4.14Å; A557-M593 HydrophobicContact CB-CE 4.29Å; A557-M593 HydrophobicContact CB-CG 3.95Å; A557-M593 HydrophobicContact CB-SD 3.93Å; M593-Y601 WeakPolarHBondContact CA-O 3.12Å; M593-L602 HydrophobicContact CG-CD1 3.48Å; M593-L602 VanDerWaalsContact CG-CD1 3.48Å; M593-L616 HydrophobicContact CG-CD2 4.14Å; M593-L616 HydrophobicContact SD-CD2 4.14Å |
| 594 | T | 93.3 | Very high | 90.5 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 165.6 | -177.5 | -170.6 | 0 | 0 | 0 | 0 | 112.1 | F596 Y601 L603 V649 | T594-F596 HydrophobicContact CG2-CD2 3.8Å; T594-F596 HydrophobicContact CG2-CE2 3.25Å; T594-F596 HydrophobicContact CG2-CZ 3.71Å; T594-Y601 PolarHBondContact N-O 3.15Å; T594-Y601 PolarHBondContact O-N 2.87Å; T594-L603 HydrophobicContact CG2-CD1 4.1Å; T594-L603 HydrophobicContact CG2-CG 4.41Å; T594-V649 HydrophobicContact CG2-CG2 4.06Å |
| 595 | T | 90.9 | Very high | 91.3 | Very high | 46 Ų | 46 | 36.4 Ų | 36.4 | 28% | 0.282 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132 | 175.4 | -47.2 | 0 | 0 | 0 | 0 | 109.3 | L546 S599 Y600 | L546-T595 WeakPolarHBondContact CD2-OG1 3.37Å; T595-S599 CarbonylContact C-O 3.59Å; T595-S599 WeakPolarHBondContact CA-O 2.96Å; T595-Y600 HydrophobicContact CG2-CD1 3.86Å; T595-Y600 HydrophobicContact CG2-CE1 3.82Å; T595-Y600 WeakPolarHBondContact OG1-CD1 3.44Å |
| 596 | F | 88.1 | Confident | 91.8 | Very high | 5 Ų | 5 | 27.8 Ų | 27.8 | 2% | 0.022 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 129.8 | 173 | -63.7 | -69.9 | 0 | 0 | 0 | 109.9 | T594 G598 S599 Y601 S647 V649 I659 L666 | T594-F596 HydrophobicContact CG2-CD2 3.8Å; T594-F596 HydrophobicContact CG2-CE2 3.25Å; T594-F596 HydrophobicContact CG2-CZ 3.71Å; F596-G598 PolarHBondContact O-N 3.01Å; F596-S599 PolarHBondContact N-O 3.17Å; F596-S599 PolarHBondContact O-N 3.5Å; F596-Y601 HydrophobicContact CB-CD2 4.27Å; F596-Y601 HydrophobicContact CB-CE2 4.2Å; F596-Y601 AromaticContact CD2-CD2 3.71Å; F596-Y601 HydrophobicContact CD2-CD2 3.71Å; F596-Y601 HydrophobicContact CD2-CE2 4.29Å; F596-Y601 HydrophobicContact CD2-CG 4.31Å; F596-Y601 HydrophobicContact CG-CD2 4.48Å; F596-S647 WeakPolarHBondContact CD1-O 3.24Å; F596-S647 WeakPolarHBondContact CE1-O 3.39Å; F596-V649 HydrophobicContact CE1-CG2 4.37Å; F596-V649 HydrophobicContact CZ-CB 4.23Å; F596-V649 HydrophobicContact CZ-CG2 3.72Å; F596-I659 HydrophobicContact CZ-CG2 4.25Å; F596-L666 HydrophobicContact CB-CD2 4.42Å; F596-L666 HydrophobicContact CD2-CD2 3.43Å; F596-L666 VanDerWaalsContact CD2-CD2 3.43Å; F596-L666 HydrophobicContact CE2-CD2 3.72Å; F596-L666 HydrophobicContact CG-CD2 4.04Å |
| 597 | E | 81.1 | Confident | 91.8 | Very high | 84 Ų | 84 | 25.6 Ų | 25.6 | 39% | 0.393 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 32.2 | 179.5 | -65.3 | -174.3 | 173.6 | 0 | 0 | 114.7 | S662 N663 H664 | E597-S662 VanDerWaalsContact OE1-CA 3.31Å; E597-S662 WeakPolarHBondContact OE1-CA 3.36Å; E597-N663 PolarHBondContact OE1-N 3.44Å; E597-H664 VanDerWaalsContact OE2-CA 3.29Å; E597-H664 WeakPolarHBondContact OE2-CA 3.5Å; E597-H664 IonicContact OE2-CE1 3.69Å; E597-H664 IonicContact OE2-CG 2.79Å; E597-H664 PolarHBondContact OE2-N 3.17Å; E597-H664 IonicContact OE2-ND1 3.68Å; E597-H664 PolarHBondContact OE2-ND1 3.02Å; E597-H664 VanDerWaalsContact OE2-ND1 3.17Å |
| 598 | G | 80.5 | Confident | 91.2 | Very high | 56 Ų | 56 | 26.3 Ų | 26.3 | 58% | 0.577 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | -7.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | F596 | F596-G598 PolarHBondContact O-N 3.01Š|
| 599 | S | 86.5 | Confident | 90.5 | Very high | 20 Ų | 20 | 26.3 Ų | 26.3 | 14% | 0.14 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 145 | 174.9 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | T595 F596 | T595-S599 CarbonylContact C-O 3.59Å; T595-S599 WeakPolarHBondContact CA-O 2.96Å; F596-S599 PolarHBondContact N-O 3.17Å; F596-S599 PolarHBondContact O-N 3.5Å |
| 600 | Y | 92.1 | Very high | 90 | Very high | 69 Ų | 69 | 20.3 Ų | 20.3 | 27% | 0.271 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 136.8 | -178.1 | -48.6 | -73.3 | 0 | 0 | 0 | 111.3 | L546 T595 L616 L618 | L546-Y600 HydrophobicContact CB-CD1 4.1Å; L546-Y600 HydrophobicContact CB-CE1 4.29Å; L546-Y600 HydrophobicContact CD1-CD1 4.22Å; T595-Y600 HydrophobicContact CG2-CD1 3.86Å; T595-Y600 HydrophobicContact CG2-CE1 3.82Å; T595-Y600 WeakPolarHBondContact OG1-CD1 3.44Å; Y600-L616 WeakPolarHBondContact CB-O 3.07Å; Y600-L616 PolarHBondContact O-N 3.18Å; Y600-L618 HydrophobicContact CD1-CD1 4.04Å; Y600-L618 HydrophobicContact CD1-CD2 4.49Å; Y600-L618 HydrophobicContact CD1-CG 4.32Å; Y600-L618 HydrophobicContact CD2-CD1 3.78Å; Y600-L618 HydrophobicContact CD2-CG 3.69Å; Y600-L618 HydrophobicContact CE1-CD1 3.68Å; Y600-L618 HydrophobicContact CE1-CG 4.43Å; Y600-L618 HydrophobicContact CE2-CD1 3.37Å; Y600-L618 HydrophobicContact CE2-CG 3.79Å; Y600-L618 HydrophobicContact CG-CD1 4.09Å; Y600-L618 HydrophobicContact CG-CD2 4.33Å; Y600-L618 HydrophobicContact CG-CG 3.97Å |
| 601 | Y | 93.3 | Very high | 89.7 | Confident | 27 Ų | 27 | 19.6 Ų | 19.6 | 11% | 0.106 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 148.7 | -178.7 | -67 | -89.9 | 0 | 0 | 0 | 111.9 | M593 T594 F596 F614 L666 | M593-Y601 WeakPolarHBondContact CA-O 3.12Å; T594-Y601 PolarHBondContact N-O 3.15Å; T594-Y601 PolarHBondContact O-N 2.87Å; F596-Y601 HydrophobicContact CB-CD2 4.27Å; F596-Y601 HydrophobicContact CB-CE2 4.2Å; F596-Y601 AromaticContact CD2-CD2 3.71Å; F596-Y601 HydrophobicContact CD2-CD2 3.71Å; F596-Y601 HydrophobicContact CD2-CE2 4.29Å; F596-Y601 HydrophobicContact CD2-CG 4.31Å; F596-Y601 HydrophobicContact CG-CD2 4.48Å; Y601-F614 CarbonylContact C-O 3.57Å; Y601-F614 VanDerWaalsContact CA-O 3.23Å; Y601-F614 WeakPolarHBondContact CA-O 3.22Å; Y601-F614 WeakPolarHBondContact CD1-O 3.2Å; Y601-L666 HydrophobicContact CD1-CD1 4.14Å; Y601-L666 HydrophobicContact CD2-CD2 4.46Å; Y601-L666 HydrophobicContact CE1-CD1 4.36Å; Y601-L666 HydrophobicContact CE1-CG 4.37Å; Y601-L666 HydrophobicContact CE2-CD2 4.3Å; Y601-L666 HydrophobicContact CG-CD1 4.49Å |
| 602 | L | 95.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.6 | 165.8 | -179.3 | 72 | 0 | 0 | 0 | 109.2 | A557 V568 I591 M593 Y613 F614 L623 | A557-L602 HydrophobicContact CB-CD1 3.62Å; V568-L602 HydrophobicContact CG2-CD2 4.24Å; I591-L602 HydrophobicContact CD1-CD1 4.16Å; I591-L602 HydrophobicContact CD1-CD2 4.45Å; I591-L602 HydrophobicContact CG1-CD1 3.87Å; I591-L602 HydrophobicContact CG1-CG 4.49Å; M593-L602 HydrophobicContact CG-CD1 3.48Å; M593-L602 VanDerWaalsContact CG-CD1 3.48Å; L602-Y613 VanDerWaalsContact O-CA 3.26Å; L602-Y613 WeakPolarHBondContact O-CA 3.41Å; L602-F614 PolarHBondContact N-O 2.97Å; L602-F614 PolarHBondContact O-N 2.87Å; L602-L623 HydrophobicContact CB-CD2 3.91Å; L602-L623 HydrophobicContact CD2-CD1 3.59Å; L602-L623 HydrophobicContact CD2-CD2 3.66Å; L602-L623 HydrophobicContact CD2-CG 4.28Å; L602-L623 HydrophobicContact CG-CD2 4.43Å |
| 603 | L | 96.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 132.2 | 177.1 | -54.5 | 179.3 | 0 | 0 | 0 | 109.6 | I591 L592 T594 L611 F612 Y613 L638 V649 I659 L666 | I591-L603 CarbonylContact C-O 3.56Å; I591-L603 VanDerWaalsContact CA-O 3.29Å; I591-L603 WeakPolarHBondContact CA-O 3.39Å; I591-L603 WeakPolarHBondContact CG1-O 3.45Å; L592-L603 PolarHBondContact N-O 2.92Å; L592-L603 PolarHBondContact O-N 2.93Å; T594-L603 HydrophobicContact CG2-CD1 4.1Å; T594-L603 HydrophobicContact CG2-CG 4.41Å; L603-L611 HydrophobicContact CB-CD1 4.4Å; L603-F612 CarbonylContact C-O 3.54Å; L603-F612 WeakPolarHBondContact CA-O 3.37Å; L603-Y613 VanDerWaalsContact CD2-CB 3.43Å; L603-L638 HydrophobicContact CB-CD1 3.68Å; L603-V649 HydrophobicContact CD1-CB 4.25Å; L603-V649 HydrophobicContact CD1-CG1 4.01Å; L603-V649 HydrophobicContact CD1-CG2 4.03Å; L603-I659 HydrophobicContact CD1-CD1 4.31Å; L603-L666 HydrophobicContact CD2-CD1 4.3Å |
| 604 | C | 95.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 110.3 | 179.1 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | I591 F612 | I591-C604 HydrophobicContact CG1-CB 4.34Å; C604-F612 HydrophobicContact CB-CB 4.49Å; C604-F612 PolarHBondContact N-O 2.66Å; C604-F612 PolarHBondContact O-N 3.22Å |
| 605 | A | 93.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 136.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | P588 R589 S590 A610 L611 L638 | P588-A605 CarbonylContact C-O 3.58Å; P588-A605 WeakPolarHBondContact CA-O 3.35Å; R589-A605 PolarHBondContact N-O 2.85Å; S590-A605 PolarHBondContact N-O 2.82Å; S590-A605 PolarHBondContact O-N 2.87Å; A605-A610 CarbonylContact C-O 3.15Å; A605-A610 WeakPolarHBondContact CA-O 3.38Å; A605-L611 HydrophobicContact CB-CD1 3.9Å; A605-L638 HydrophobicContact CB-CD1 4.34Å; A605-L638 HydrophobicContact CB-CG 4.41Å |
| 606 | L | 91.3 | Very high | 89.2 | Confident | 6 Ų | 6 | 19.1 Ų | 19.1 | 3% | 0.031 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 169.2 | 176.5 | -63.4 | -166.7 | 0 | 0 | 0 | 111.8 | L582 I586 P588 D608 G609 A610 F612 | L582-L606 HydrophobicContact CD1-CD2 3.93Å; I586-L606 HydrophobicContact CG2-CB 4.42Å; P588-L606 HydrophobicContact CB-CD2 4.25Å; P588-L606 HydrophobicContact CG-CD2 4.05Å; L606-D608 VanDerWaalsContact C-N 3.26Å; L606-D608 WeakPolarHBondContact CB-OD1 3.45Å; L606-D608 PolarHBondContact O-N 2.83Å; L606-G609 PolarHBondContact O-N 3.06Å; L606-A610 HydrophobicContact CB-CB 4.34Å; L606-A610 HydrophobicContact CD1-CB 4.38Å; L606-A610 PolarHBondContact N-O 3.1Å; L606-F612 HydrophobicContact CD1-CD2 4.3Å; L606-F612 HydrophobicContact CD1-CE2 3.69Å; L606-F612 HydrophobicContact CG-CD2 4.27Å; L606-F612 HydrophobicContact CG-CE2 4.16Å |
| 607 | G | 86.1 | Confident | 89.3 | Confident | 23 Ų | 23 | 22.1 Ų | 22.1 | 24% | 0.237 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -13.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | I587 | I587-G607 PolarHBondContact O-N 2.65Š|
| 608 | D | 80.4 | Confident | 89.4 | Confident | 55 Ų | 55 | 20.1 Ų | 20.1 | 29% | 0.294 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 7 | 178.7 | 61.1 | -15.4 | 0 | 0 | 0 | 113.6 | I586 L606 A610 G632 | I586-D608 HydrophobicContact CD1-CB 3.56Å; I586-D608 HydrophobicContact CG2-CB 4.2Å; L606-D608 VanDerWaalsContact C-N 3.26Å; L606-D608 WeakPolarHBondContact CB-OD1 3.45Å; L606-D608 PolarHBondContact O-N 2.83Å; D608-A610 VanDerWaalsContact C-N 3.31Å; D608-A610 VanDerWaalsContact OD1-CB 3.26Å; D608-A610 WeakPolarHBondContact OD1-CB 3.38Å; D608-A610 PolarHBondContact OD1-N 2.84Å; D608-A610 VanDerWaalsContact OD1-N 3.13Å; D608-G632 VanDerWaalsContact O-O 3.09Å |
| 609 | G | 77.9 | Confident | 89.6 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 80 | 7.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L606 L631 G632 Q634 | L606-G609 PolarHBondContact O-N 3.06Å; G609-L631 PolarHBondContact O-N 2.84Å; G609-G632 WeakPolarHBondContact CA-O 3.33Å; G609-Q634 WeakPolarHBondContact CA-O 3.03Å; G609-Q634 PolarHBondContact N-O 3.22Å |
| 610 | A | 82.6 | Confident | 89.6 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 136.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A605 L606 D608 V629 | A605-A610 CarbonylContact C-O 3.15Å; A605-A610 WeakPolarHBondContact CA-O 3.38Å; L606-A610 HydrophobicContact CB-CB 4.34Å; L606-A610 HydrophobicContact CD1-CB 4.38Å; L606-A610 PolarHBondContact N-O 3.1Å; D608-A610 VanDerWaalsContact C-N 3.31Å; D608-A610 VanDerWaalsContact OD1-CB 3.26Å; D608-A610 WeakPolarHBondContact OD1-CB 3.38Å; D608-A610 PolarHBondContact OD1-N 2.84Å; D608-A610 VanDerWaalsContact OD1-N 3.13Å; A610-V629 CarbonylContact C-O 3.6Å; A610-V629 WeakPolarHBondContact CA-O 3.46Å |
| 611 | L | 89.6 | Confident | 89.4 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.9 | 175 | -177.4 | 75.9 | 0 | 0 | 0 | 109.6 | L603 A605 K628 V629 L631 L638 I659 F668 | L603-L611 HydrophobicContact CB-CD1 4.4Å; A605-L611 HydrophobicContact CB-CD1 3.9Å; L611-K628 CarbonylContact O-C 3.54Å; L611-K628 WeakPolarHBondContact O-CA 3.37Å; L611-V629 PolarHBondContact N-O 2.74Å; L611-V629 PolarHBondContact O-N 3.07Å; L611-L631 HydrophobicContact CB-CD1 4.21Å; L611-L631 HydrophobicContact CB-CG 4.4Å; L611-L631 HydrophobicContact CD2-CD1 4.05Å; L611-L638 HydrophobicContact CD1-CD1 3.94Å; L611-L638 HydrophobicContact CD1-CD2 4.11Å; L611-I659 HydrophobicContact CD2-CD1 3.54Å; L611-F668 HydrophobicContact CD2-CE1 3.69Å; L611-F668 HydrophobicContact CD2-CZ 4.44Å |
| 612 | F | 91.4 | Very high | 89.3 | Confident | 9 Ų | 9 | 26.5 Ų | 26.5 | 4% | 0.039 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 142.8 | 166 | -71 | -86.4 | 0 | 0 | 0 | 110.3 | L582 L603 C604 L606 F614 R626 K627 K628 | L582-F612 HydrophobicContact CB-CE2 4.35Å; L582-F612 HydrophobicContact CD2-CB 4.27Å; L582-F612 HydrophobicContact CD2-CD1 4.41Å; L582-F612 HydrophobicContact CD2-CD2 4.06Å; L582-F612 HydrophobicContact CD2-CG 3.98Å; L603-F612 CarbonylContact C-O 3.54Å; L603-F612 WeakPolarHBondContact CA-O 3.37Å; C604-F612 HydrophobicContact CB-CB 4.49Å; C604-F612 PolarHBondContact N-O 2.66Å; C604-F612 PolarHBondContact O-N 3.22Å; L606-F612 HydrophobicContact CD1-CD2 4.3Å; L606-F612 HydrophobicContact CD1-CE2 3.69Å; L606-F612 HydrophobicContact CG-CD2 4.27Å; L606-F612 HydrophobicContact CG-CE2 4.16Å; F612-F614 HydrophobicContact CB-CE2 3.69Å; F612-F614 HydrophobicContact CB-CZ 3.92Å; F612-F614 HydrophobicContact CG-CZ 4.5Å; F612-R626 HydrophobicContact CD1-CG 4.43Å; F612-K627 WeakPolarHBondContact CA-O 3.29Å; F612-K628 HydrophobicContact CD1-CB 3.87Å; F612-K628 HydrophobicContact CD1-CG 4.11Å; F612-K628 HydrophobicContact CE1-CB 3.61Å; F612-K628 HydrophobicContact CE1-CD 3.84Å; F612-K628 HydrophobicContact CE1-CG 3.66Å; F612-K628 HydrophobicContact CE2-CD 4.38Å; F612-K628 HydrophobicContact CE2-CG 4.3Å; F612-K628 HydrophobicContact CZ-CB 4.26Å; F612-K628 HydrophobicContact CZ-CD 3.64Å; F612-K628 HydrophobicContact CZ-CG 3.78Å |
| 613 | Y | 93.6 | Very high | 89.1 | Confident | 25 Ų | 25 | 27.3 Ų | 27.3 | 10% | 0.098 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 151.2 | 169.7 | 66.1 | -89.8 | 0 | 0 | 0 | 111.8 | L602 L603 K627 V629 L666 F668 | L602-Y613 VanDerWaalsContact O-CA 3.26Å; L602-Y613 WeakPolarHBondContact O-CA 3.41Å; L603-Y613 VanDerWaalsContact CD2-CB 3.43Å; Y613-K627 HydrophobicContact CD1-CB 4.06Å; Y613-K627 HydrophobicContact CD2-CB 4.11Å; Y613-K627 HydrophobicContact CE1-CB 3.55Å; Y613-K627 HydrophobicContact CE1-CD 4.49Å; Y613-K627 HydrophobicContact CE2-CB 3.64Å; Y613-K627 HydrophobicContact CE2-CD 3.53Å; Y613-K627 HydrophobicContact CE2-CG 4.08Å; Y613-K627 HydrophobicContact CG-CB 4.32Å; Y613-K627 VanDerWaalsContact CZ-CD 3.46Å; Y613-K627 PolarHBondContact N-O 3.5Å; Y613-K627 PolarHBondContact O-N 2.65Å; Y613-K627 WeakPolarHBondContact OH-CD 3.37Å; Y613-V629 HydrophobicContact CE1-CG2 3.91Å; Y613-L666 HydrophobicContact CD1-CD1 4.38Å; Y613-L666 HydrophobicContact CD2-CD1 3.45Å; Y613-L666 VanDerWaalsContact CD2-CD1 3.45Å; Y613-L666 HydrophobicContact CD2-CG 4.42Å; Y613-L666 HydrophobicContact CE2-CB 4.48Å; Y613-L666 HydrophobicContact CE2-CD1 3.76Å; Y613-L666 HydrophobicContact CE2-CG 4.31Å; Y613-L666 HydrophobicContact CG-CD1 3.77Å; Y613-F668 HydrophobicContact CD1-CZ 4.05Å; Y613-F668 HydrophobicContact CE1-CE2 4.14Å; Y613-F668 AromaticContact CE1-CZ 3.78Å; Y613-F668 HydrophobicContact CE1-CZ 3.78Å |
| 614 | F | 93.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 147.7 | -173.3 | -52.8 | -91.4 | 0 | 0 | 0 | 109.7 | E580 L582 Y601 L602 F612 L623 S624 R626 | E580-F614 HydrophobicContact CG-CE1 3.72Å; E580-F614 HydrophobicContact CG-CZ 3.84Å; L582-F614 HydrophobicContact CD2-CE2 4.24Å; L582-F614 HydrophobicContact CD2-CZ 3.77Å; Y601-F614 CarbonylContact C-O 3.57Å; Y601-F614 VanDerWaalsContact CA-O 3.23Å; Y601-F614 WeakPolarHBondContact CA-O 3.22Å; Y601-F614 WeakPolarHBondContact CD1-O 3.2Å; L602-F614 PolarHBondContact N-O 2.97Å; L602-F614 PolarHBondContact O-N 2.87Å; F612-F614 HydrophobicContact CB-CE2 3.69Å; F612-F614 HydrophobicContact CB-CZ 3.92Å; F612-F614 HydrophobicContact CG-CZ 4.5Å; F614-L623 HydrophobicContact CB-CB 4.05Å; F614-L623 HydrophobicContact CB-CD2 4.1Å; F614-L623 HydrophobicContact CB-CG 4.47Å; F614-L623 HydrophobicContact CD1-CB 4.21Å; F614-L623 HydrophobicContact CD2-CD1 4.39Å; F614-L623 HydrophobicContact CG-CB 4.24Å; F614-L623 HydrophobicContact CG-CD1 4.28Å; F614-S624 CarbonylContact C-O 3.6Å; F614-S624 WeakPolarHBondContact CA-O 3.41Å; F614-S624 WeakPolarHBondContact CB-O 3.3Å; F614-R626 HydrophobicContact CD1-CB 3.86Å; F614-R626 HydrophobicContact CD1-CG 4.29Å; F614-R626 HydrophobicContact CE1-CB 3.53Å; F614-R626 HydrophobicContact CE1-CG 3.51Å; F614-R626 HydrophobicContact CZ-CG 4.15Å |
| 615 | G | 91.6 | Very high | 88 | Confident | 13 Ų | 13 | 37 Ų | 37 | 13% | 0.134 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 134.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L623 S624 | G615-L623 WeakPolarHBondContact O-CA 3.19Å; G615-S624 PolarHBondContact N-O 3.39Å; G615-S624 PolarHBondContact O-N 2.96Å; G615-S624 PolarHBondContact O-OG 2.7Å |
| 616 | L | 92.5 | Very high | 87.6 | Confident | 9 Ų | 9 | 41 Ų | 41 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 122.3 | -178.6 | 176.3 | 65.5 | 0 | 0 | 0 | 109.9 | L546 L555 V568 M593 Y600 L623 | L546-L616 HydrophobicContact CD1-CD2 3.67Å; L555-L616 HydrophobicContact CD1-CD1 4.39Å; L555-L616 HydrophobicContact CD1-CD2 4.34Å; V568-L616 HydrophobicContact CG2-CD1 4.35Å; M593-L616 HydrophobicContact CG-CD2 4.14Å; M593-L616 HydrophobicContact SD-CD2 4.14Å; Y600-L616 WeakPolarHBondContact CB-O 3.07Å; Y600-L616 PolarHBondContact O-N 3.18Å; L616-L623 HydrophobicContact CB-CD2 4.44Å; L616-L623 HydrophobicContact CD1-CD2 3.69Å |
| 617 | D | 89.8 | Confident | 87.2 | Confident | 68 Ų | 68 | 43.8 Ų | 43.8 | 36% | 0.364 | 23% | 0.234 | S | C | . | . | trans | -90.5 | 120.6 | 169.7 | 176.4 | 4.7 | 0 | 0 | 0 | 110.3 | Q619 T620 G621 A622 | D617-Q619 VanDerWaalsContact C-N 3.32Å; D617-Q619 PolarHBondContact O-N 2.75Å; D617-Q619 PolarHBondContact OD1-N 3.41Å; D617-T620 WeakPolarHBondContact CB-OG1 3.36Å; D617-T620 WeakPolarHBondContact OD2-CB 3.44Å; D617-T620 WeakPolarHBondContact OD2-CG2 3.23Å; D617-T620 PolarHBondContact OD2-OG1 2.8Å; D617-G621 WeakPolarHBondContact O-CA 3.44Å; D617-G621 PolarHBondContact O-N 3Å; D617-A622 PolarHBondContact N-O 3.32Å; D617-A622 VanDerWaalsContact N-O 3.16Å | ||
| 618 | L | 84.6 | Confident | 87 | Confident | 42 Ų | 42 | 47.6 Ų | 47.6 | 22% | 0.22 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -29.8 | -179.9 | -68 | -177.8 | 0 | 0 | 0 | 113.9 | L546 L555 Y600 | L546-L618 HydrophobicContact CB-CD1 4.28Å; L546-L618 HydrophobicContact CB-CD2 3.67Å; L546-L618 HydrophobicContact CD1-CD2 3.71Å; L546-L618 HydrophobicContact CG-CD2 4.34Å; L555-L618 HydrophobicContact CD1-CD2 4.17Å; Y600-L618 HydrophobicContact CD1-CD1 4.04Å; Y600-L618 HydrophobicContact CD1-CD2 4.49Å; Y600-L618 HydrophobicContact CD1-CG 4.32Å; Y600-L618 HydrophobicContact CD2-CD1 3.78Å; Y600-L618 HydrophobicContact CD2-CG 3.69Å; Y600-L618 HydrophobicContact CE1-CD1 3.68Å; Y600-L618 HydrophobicContact CE1-CG 4.43Å; Y600-L618 HydrophobicContact CE2-CD1 3.37Å; Y600-L618 HydrophobicContact CE2-CG 3.79Å; Y600-L618 HydrophobicContact CG-CD1 4.09Å; Y600-L618 HydrophobicContact CG-CD2 4.33Å; Y600-L618 HydrophobicContact CG-CG 3.97Å |
| 619 | Q | 84.4 | Confident | 86.8 | Confident | 187 Ų | 187 | 46.2 Ų | 46.2 | 87% | 0.874 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -45.3 | -176.1 | -65.4 | -167.5 | 1 | 0 | 0 | 111.7 | D617 | D617-Q619 VanDerWaalsContact C-N 3.32Å; D617-Q619 PolarHBondContact O-N 2.75Å; D617-Q619 PolarHBondContact OD1-N 3.41Å |
| 620 | T | 87 | Confident | 86.7 | Confident | 79 Ų | 79 | 49 Ų | 49 | 49% | 0.485 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -25.4 | -177.9 | 64 | 0 | 0 | 0 | 0 | 112.9 | D617 A622 | D617-T620 WeakPolarHBondContact CB-OG1 3.36Å; D617-T620 WeakPolarHBondContact OD2-CB 3.44Å; D617-T620 WeakPolarHBondContact OD2-CG2 3.23Å; D617-T620 PolarHBondContact OD2-OG1 2.8Å; T620-A622 PolarHBondContact O-N 3.25Å; T620-A622 WeakPolarHBondContact OG1-CB 2.94Å; T620-A622 PolarHBondContact OG1-N 3.07Å |
| 621 | G | 87.3 | Confident | 86.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | 71.7 | 13.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H578 D617 | H578-G621 WeakPolarHBondContact CB-O 3.31Å; D617-G621 WeakPolarHBondContact O-CA 3.44Å; D617-G621 PolarHBondContact O-N 3Å | ||
| 622 | A | 91.4 | Very high | 85.8 | Confident | 39 Ų | 39 | 49.8 Ų | 49.8 | 32% | 0.322 | 26% | 0.26 | S | S | . | . | trans | -76.7 | 145.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D617 T620 | D617-A622 PolarHBondContact N-O 3.32Å; D617-A622 VanDerWaalsContact N-O 3.16Å; T620-A622 PolarHBondContact O-N 3.25Å; T620-A622 WeakPolarHBondContact OG1-CB 2.94Å; T620-A622 PolarHBondContact OG1-N 3.07Å | ||
| 623 | L | 91.9 | Very high | 85 | Confident | 17 Ų | 17 | 54 Ų | 54 | 9% | 0.089 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 130.1 | 172.6 | -58.7 | 179.5 | 0 | 0 | 0 | 110.1 | V568 E580 L602 F614 G615 L616 | V568-L623 HydrophobicContact CG2-CD1 4.26Å; V568-L623 HydrophobicContact CG2-CD2 4Å; V568-L623 HydrophobicContact CG2-CG 4.16Å; E580-L623 HydrophobicContact CB-CD1 4.14Å; L602-L623 HydrophobicContact CB-CD2 3.91Å; L602-L623 HydrophobicContact CD2-CD1 3.59Å; L602-L623 HydrophobicContact CD2-CD2 3.66Å; L602-L623 HydrophobicContact CD2-CG 4.28Å; L602-L623 HydrophobicContact CG-CD2 4.43Å; F614-L623 HydrophobicContact CB-CB 4.05Å; F614-L623 HydrophobicContact CB-CD2 4.1Å; F614-L623 HydrophobicContact CB-CG 4.47Å; F614-L623 HydrophobicContact CD1-CB 4.21Å; F614-L623 HydrophobicContact CD2-CD1 4.39Å; F614-L623 HydrophobicContact CG-CB 4.24Å; F614-L623 HydrophobicContact CG-CD1 4.28Å; G615-L623 WeakPolarHBondContact O-CA 3.19Å; L616-L623 HydrophobicContact CB-CD2 4.44Å; L616-L623 HydrophobicContact CD1-CD2 3.69Å |
| 624 | S | 87.9 | Confident | 84.5 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 166.7 | 178 | 63.5 | 0 | 0 | 0 | 0 | 111.2 | F614 G615 R626 | F614-S624 CarbonylContact C-O 3.6Å; F614-S624 WeakPolarHBondContact CA-O 3.41Å; F614-S624 WeakPolarHBondContact CB-O 3.3Å; G615-S624 PolarHBondContact N-O 3.39Å; G615-S624 PolarHBondContact O-N 2.96Å; G615-S624 PolarHBondContact O-OG 2.7Å; S624-R626 PolarHBondContact O-N 3.07Å |
| 625 | E | 80.1 | Confident | 84.2 | Confident | 140 Ų | 140 | 60.2 Ų | 60.2 | 65% | 0.654 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51 | 54 | 170.9 | -55.6 | -164.2 | 164.5 | 0 | 0 | 115.5 | K627 | E625-K627 PolarHBondContact O-N 2.96Å; E625-K627 VanDerWaalsContact O-N 3.07Å |
| 626 | R | 85.7 | Confident | 84.2 | Confident | 84 Ų | 84 | 59.6 Ų | 59.6 | 32% | 0.317 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.9 | 116.5 | 174.5 | 176.1 | 174.6 | 172.2 | 163.7 | 1 | 111.6 | E580 M581 L582 F612 F614 S624 | E580-R626 WeakPolarHBondContact OE1-CD 3.28Å; E580-R626 IonicContact OE1-NH1 3.66Å; E580-R626 PolarHBondContact OE1-NH1 3.22Å; E580-R626 VanDerWaalsContact OE1-NH1 3.14Å; M581-R626 PolarHBondContact O-NH1 3.31Å; L582-R626 PolarHBondContact O-NH2 3.15Å; F612-R626 HydrophobicContact CD1-CG 4.43Å; F614-R626 HydrophobicContact CD1-CB 3.86Å; F614-R626 HydrophobicContact CD1-CG 4.29Å; F614-R626 HydrophobicContact CE1-CB 3.53Å; F614-R626 HydrophobicContact CE1-CG 3.51Å; F614-R626 HydrophobicContact CZ-CG 4.15Å; S624-R626 PolarHBondContact O-N 3.07Å |
| 627 | K | 81.7 | Confident | 84.4 | Confident | 63 Ų | 63 | 61.3 Ų | 61.3 | 27% | 0.274 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 152.6 | 172 | -68.1 | -177.3 | -175.9 | -179.3 | 0 | 110.6 | F612 Y613 E625 | F612-K627 WeakPolarHBondContact CA-O 3.29Å; Y613-K627 HydrophobicContact CD1-CB 4.06Å; Y613-K627 HydrophobicContact CD2-CB 4.11Å; Y613-K627 HydrophobicContact CE1-CB 3.55Å; Y613-K627 HydrophobicContact CE1-CD 4.49Å; Y613-K627 HydrophobicContact CE2-CB 3.64Å; Y613-K627 HydrophobicContact CE2-CD 3.53Å; Y613-K627 HydrophobicContact CE2-CG 4.08Å; Y613-K627 HydrophobicContact CG-CB 4.32Å; Y613-K627 VanDerWaalsContact CZ-CD 3.46Å; Y613-K627 PolarHBondContact N-O 3.5Å; Y613-K627 PolarHBondContact O-N 2.65Å; Y613-K627 WeakPolarHBondContact OH-CD 3.37Å; E625-K627 PolarHBondContact O-N 2.96Å; E625-K627 VanDerWaalsContact O-N 3.07Å |
| 628 | K | 81.4 | Confident | 84.7 | Confident | 103 Ų | 103 | 58.5 Ų | 58.5 | 45% | 0.448 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 137.9 | -177.6 | -174.2 | -173.5 | 178.8 | -176.9 | 0 | 108.7 | L611 F612 | L611-K628 CarbonylContact O-C 3.54Å; L611-K628 WeakPolarHBondContact O-CA 3.37Å; F612-K628 HydrophobicContact CD1-CB 3.87Å; F612-K628 HydrophobicContact CD1-CG 4.11Å; F612-K628 HydrophobicContact CE1-CB 3.61Å; F612-K628 HydrophobicContact CE1-CD 3.84Å; F612-K628 HydrophobicContact CE1-CG 3.66Å; F612-K628 HydrophobicContact CE2-CD 4.38Å; F612-K628 HydrophobicContact CE2-CG 4.3Å; F612-K628 HydrophobicContact CZ-CB 4.26Å; F612-K628 HydrophobicContact CZ-CD 3.64Å; F612-K628 HydrophobicContact CZ-CG 3.78Å |
| 629 | V | 76.6 | Confident | 85.2 | Confident | 27 Ų | 27 | 60.4 Ų | 60.4 | 16% | 0.164 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 152.9 | 172.5 | 177.5 | 0 | 0 | 0 | 0 | 108.1 | A610 L611 Y613 L631 F668 | A610-V629 CarbonylContact C-O 3.6Å; A610-V629 WeakPolarHBondContact CA-O 3.46Å; L611-V629 PolarHBondContact N-O 2.74Å; L611-V629 PolarHBondContact O-N 3.07Å; Y613-V629 HydrophobicContact CE1-CG2 3.91Å; V629-L631 HydrophobicContact CG1-CD2 3.92Å; V629-F668 HydrophobicContact CB-CZ 4.46Å; V629-F668 HydrophobicContact CG1-CD2 4.47Å; V629-F668 HydrophobicContact CG1-CG 4.49Å; V629-F668 HydrophobicContact CG2-CD2 4.41Å; V629-F668 HydrophobicContact CG2-CE2 3.85Å; V629-F668 HydrophobicContact CG2-CZ 4.02Å |
| 630 | T | 76.8 | Confident | 85.6 | Confident | 57 Ų | 57 | 53.8 Ų | 53.8 | 35% | 0.35 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 118.8 | 175.1 | -49 | 0 | 0 | 0 | 0 | 109.3 | ||
| 631 | L | 78.2 | Confident | 85.9 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | trans | -96.7 | -41.9 | -174.2 | -59.9 | -178.4 | 0 | 0 | 0 | 112.1 | G609 L611 V629 T636 A651 R655 T657 F668 | G609-L631 PolarHBondContact O-N 2.84Å; L611-L631 HydrophobicContact CB-CD1 4.21Å; L611-L631 HydrophobicContact CB-CG 4.4Å; L611-L631 HydrophobicContact CD2-CD1 4.05Å; V629-L631 HydrophobicContact CG1-CD2 3.92Å; L631-T636 HydrophobicContact CD1-CG2 4.48Å; L631-A651 HydrophobicContact CD1-CB 3.74Å; L631-R655 WeakPolarHBondContact O-CB 3.34Å; L631-R655 VanDerWaalsContact O-CD 3.3Å; L631-R655 WeakPolarHBondContact O-CD 3.45Å; L631-T657 HydrophobicContact CD2-CG2 4.07Å; L631-F668 HydrophobicContact CD2-CB 4.49Å; L631-F668 HydrophobicContact CD2-CD1 3.87Å; L631-F668 HydrophobicContact CD2-CG 4.41Å | ||
| 632 | G | 73.9 | Confident | 85.9 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 5% | 0.052 | 30% | 0.297 | C | S | . | . | trans | -152.2 | -164.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D608 G609 D654 | D608-G632 VanDerWaalsContact O-O 3.09Å; G609-G632 WeakPolarHBondContact CA-O 3.33Å; G632-D654 VanDerWaalsContact CA-OD1 3.3Å; G632-D654 WeakPolarHBondContact CA-OD1 3.27Å | ||
| 633 | T | 75.8 | Confident | 85.4 | Confident | 99 Ų | 99 | 58 Ų | 58 | 61% | 0.607 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -109.8 | -18.7 | 173.7 | 64.6 | 0 | 0 | 0 | 0 | 112.7 | D654 | T633-D654 PolarHBondContact N-OD1 2.96Å; T633-D654 VanDerWaalsContact N-OD1 3.14Å; T633-D654 PolarHBondContact N-OD2 3.46Å; T633-D654 PolarHBondContact OG1-OD2 2.87Å |
| 634 | Q | 83 | Confident | 84.7 | Confident | 103 Ų | 103 | 64.7 Ų | 64.7 | 48% | 0.481 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -89.4 | 158 | 177.9 | -68.3 | -63.6 | -31.4 | 0 | 0 | 111.4 | G609 T636 S653 D654 | G609-Q634 WeakPolarHBondContact CA-O 3.03Å; G609-Q634 PolarHBondContact N-O 3.22Å; Q634-T636 PolarHBondContact O-N 2.94Å; Q634-S653 PolarHBondContact O-OG 2.99Å; Q634-D654 HydrophobicContact CB-CB 4.14Å; Q634-D654 HydrophobicContact CG-CB 3.79Å; Q634-D654 PolarHBondContact N-OD1 2.87Å |
| 635 | P | 87.4 | Confident | 84.1 | Confident | 52 Ų | 52 | 66 Ų | 66 | 34% | 0.338 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -64 | 122.2 | 176.8 | 26.3 | -35.4 | 0 | 0 | 0 | 111.1 | R589 | R589-P635 HydrophobicContact CB-CB 4.24Å; R589-P635 HydrophobicContact CG-CB 3.88Å |
| 636 | T | 91.1 | Very high | 84.2 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -85.7 | 136.1 | -175.4 | -49.4 | 0 | 0 | 0 | 0 | 112.5 | S590 L631 Q634 L638 A651 C652 | S590-T636 VanDerWaalsContact CB-O 3.28Å; S590-T636 WeakPolarHBondContact CB-O 3.31Å; L631-T636 HydrophobicContact CD1-CG2 4.48Å; Q634-T636 PolarHBondContact O-N 2.94Å; T636-L638 HydrophobicContact CG2-CD2 4.3Å; T636-A651 HydrophobicContact CG2-CB 3.59Å; T636-C652 CarbonylContact C-O 3.55Å; T636-C652 VanDerWaalsContact CA-O 3.24Å; T636-C652 WeakPolarHBondContact CA-O 3.47Å; T636-C652 WeakPolarHBondContact CG2-O 3.33Å |
| 637 | V | 95.5 | Very high | 84.3 | Confident | 44 Ų | 44 | 61.5 Ų | 61.5 | 27% | 0.267 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 130.1 | 171.1 | -179 | 0 | 0 | 0 | 0 | 109.5 | C652 | V637-C652 HydrophobicContact CB-CB 4.12Å; V637-C652 PolarHBondContact N-O 3.44Å; V637-C652 PolarHBondContact O-N 3.28Å |
| 638 | L | 96.1 | Very high | 84.8 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 132.2 | -178.6 | -59.1 | 172.3 | 0 | 0 | 0 | 110.6 | S590 L592 L603 A605 L611 T636 V649 F650 A651 I659 | S590-L638 PolarHBondContact OG-N 2.91Å; L592-L638 HydrophobicContact CB-CB 4.15Å; L592-L638 HydrophobicContact CB-CD1 4.11Å; L592-L638 HydrophobicContact CD2-CB 3.99Å; L603-L638 HydrophobicContact CB-CD1 3.68Å; A605-L638 HydrophobicContact CB-CD1 4.34Å; A605-L638 HydrophobicContact CB-CG 4.41Å; L611-L638 HydrophobicContact CD1-CD1 3.94Å; L611-L638 HydrophobicContact CD1-CD2 4.11Å; T636-L638 HydrophobicContact CG2-CD2 4.3Å; L638-V649 HydrophobicContact CB-CG1 4.18Å; L638-V649 HydrophobicContact CD2-CG1 4.11Å; L638-F650 WeakPolarHBondContact CA-O 3.19Å; L638-A651 HydrophobicContact CD2-CB 3.98Å; L638-I659 HydrophobicContact CD2-CD1 4.15Å |
| 639 | R | 95.3 | Very high | 85.5 | Confident | 81 Ų | 81 | 53.9 Ų | 53.9 | 31% | 0.306 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 132 | 176.2 | -83.3 | -74.2 | -179.3 | -156.8 | -6 | 111.4 | V649 F650 M679 | R639-V649 CarbonylContact O-C 3.57Å; R639-V649 WeakPolarHBondContact O-CA 3.31Å; R639-F650 PolarHBondContact N-O 2.81Å; R639-F650 PolarHBondContact O-N 3.01Å; R639-M679 HydrophobicContact CB-SD 4.09Å; R639-M679 WeakPolarHBondContact CG-O 3.12Å |
| 640 | T | 93.8 | Very high | 86.4 | Confident | 48 Ų | 48 | 52.6 Ų | 52.6 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 144.5 | 171.3 | 54.9 | 0 | 0 | 0 | 0 | 110.2 | L592 N648 V649 | L592-T640 HydrophobicContact CD1-CG2 3.91Å; L592-T640 HydrophobicContact CD2-CG2 3.66Å; L592-T640 HydrophobicContact CG-CG2 4.22Å; T640-N648 WeakPolarHBondContact CA-O 3.09Å; T640-V649 HydrophobicContact CG2-CG2 4.21Å |
| 641 | F | 93.2 | Very high | 87.2 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 156.7 | 168.4 | 73.6 | -79.2 | 0 | 0 | 0 | 109.5 | N648 F650 V658 M679 P681 L691 I704 I707 | F641-N648 HydrophobicContact CD1-CB 4.27Å; F641-N648 HydrophobicContact CE1-CB 3.71Å; F641-N648 HydrophobicContact CE2-CB 4.26Å; F641-N648 HydrophobicContact CZ-CB 3.71Å; F641-N648 PolarHBondContact N-O 2.9Å; F641-N648 PolarHBondContact O-N 2.76Å; F641-N648 VanDerWaalsContact O-O 3.05Å; F641-F650 HydrophobicContact CD1-CB 3.92Å; F641-F650 HydrophobicContact CE1-CB 3.92Å; F641-F650 HydrophobicContact CE1-CD2 4.22Å; F641-V658 HydrophobicContact CE1-CG1 4.07Å; F641-V658 HydrophobicContact CZ-CG1 3.87Å; F641-V658 HydrophobicContact CZ-CG2 4.31Å; F641-M679 HydrophobicContact CB-CE 3.69Å; F641-M679 HydrophobicContact CD1-CE 3.93Å; F641-M679 HydrophobicContact CD2-CE 4.4Å; F641-M679 HydrophobicContact CG-CE 3.76Å; F641-P681 HydrophobicContact CB-CB 4.28Å; F641-L691 HydrophobicContact CB-CD2 4.23Å; F641-L691 HydrophobicContact CD2-CD1 4.5Å; F641-L691 HydrophobicContact CD2-CD2 3.97Å; F641-L691 HydrophobicContact CE2-CD1 4.49Å; F641-L691 HydrophobicContact CG-CD2 4.29Å; F641-I704 HydrophobicContact CE2-CD1 4.11Å; F641-I704 HydrophobicContact CE2-CG2 4.23Å; F641-I704 HydrophobicContact CZ-CD1 3.94Å; F641-I707 HydrophobicContact CE2-CD1 4.07Å; F641-I707 HydrophobicContact CZ-CD1 3.89Å |
| 642 | R | 87.5 | Confident | 88 | Confident | 179 Ų | 179 | 49.4 Ų | 49.4 | 68% | 0.675 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 133.5 | 176.1 | -163.5 | 178 | -173.2 | 169.4 | 4 | 108.5 | L644 S645 T646 | R642-L644 PolarHBondContact NE-O 2.81Å; R642-S645 PolarHBondContact NH2-O 2.88Å; R642-T646 WeakPolarHBondContact CA-O 3.5Å; R642-T646 WeakPolarHBondContact CG-O 3.44Å |
| 643 | S | 80.2 | Confident | 88.7 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 16% | 0.161 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 124 | 168.4 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | S645 T646 | S643-S645 PolarHBondContact O-N 2.9Å; S643-T646 PolarHBondContact N-O 2.78Å; S643-T646 PolarHBondContact O-N 2.81Å; S643-T646 PolarHBondContact O-OG1 3Å; S643-T646 VanDerWaalsContact O-OG1 3.14Å |
| 644 | L | 77.4 | Confident | 89 | Confident | 156 Ų | 156 | 46.3 Ų | 46.3 | 82% | 0.817 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | -121.1 | -170.3 | -56.2 | 167.7 | 0 | 0 | 0 | 110.4 | R642 | R642-L644 PolarHBondContact NE-O 2.81Š|
| 645 | S | 74.9 | Confident | 88.8 | Confident | 94 Ų | 94 | 46.7 Ų | 46.7 | 66% | 0.657 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -7.6 | 178.5 | 57.4 | 0 | 0 | 0 | 0 | 113.9 | R642 S643 | R642-S645 PolarHBondContact NH2-O 2.88Å; S643-S645 PolarHBondContact O-N 2.9Å |
| 646 | T | 81.9 | Confident | 88.9 | Confident | 74 Ų | 74 | 44.4 Ų | 44.4 | 45% | 0.454 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 144.3 | -171.1 | 65.2 | 0 | 0 | 0 | 0 | 113 | R642 S643 N648 | R642-T646 WeakPolarHBondContact CA-O 3.5Å; R642-T646 WeakPolarHBondContact CG-O 3.44Å; S643-T646 PolarHBondContact N-O 2.78Å; S643-T646 PolarHBondContact O-N 2.81Å; S643-T646 PolarHBondContact O-OG1 3Å; S643-T646 VanDerWaalsContact O-OG1 3.14Å; T646-N648 PolarHBondContact O-ND2 2.77Å; T646-N648 PolarHBondContact OG1-ND2 2.91Å; T646-N648 VanDerWaalsContact OG1-ND2 3.12Å |
| 647 | S | 87.7 | Confident | 88.8 | Confident | 54 Ų | 54 | 44.3 Ų | 44.3 | 38% | 0.378 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 125.2 | 175.5 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | F596 | F596-S647 WeakPolarHBondContact CD1-O 3.24Å; F596-S647 WeakPolarHBondContact CE1-O 3.39Å |
| 648 | N | 93.1 | Very high | 88.6 | Confident | 6 Ų | 6 | 42.2 Ų | 42.2 | 3% | 0.032 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 164.6 | -176 | -58.4 | -60.7 | 0 | 0 | 0 | 110.6 | T640 F641 T646 V658 Y660 I707 | T640-N648 WeakPolarHBondContact CA-O 3.09Å; F641-N648 HydrophobicContact CD1-CB 4.27Å; F641-N648 HydrophobicContact CE1-CB 3.71Å; F641-N648 HydrophobicContact CE2-CB 4.26Å; F641-N648 HydrophobicContact CZ-CB 3.71Å; F641-N648 PolarHBondContact N-O 2.9Å; F641-N648 PolarHBondContact O-N 2.76Å; F641-N648 VanDerWaalsContact O-O 3.05Å; T646-N648 PolarHBondContact O-ND2 2.77Å; T646-N648 PolarHBondContact OG1-ND2 2.91Å; T646-N648 VanDerWaalsContact OG1-ND2 3.12Å; N648-V658 HydrophobicContact CB-CG1 4.37Å; N648-Y660 WeakPolarHBondContact OD1-CB 3.42Å; N648-I707 HydrophobicContact CB-CD1 4.05Å; N648-I707 WeakPolarHBondContact ND2-CD1 3.45Å |
| 649 | V | 95.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 127.7 | 177.3 | 175.5 | 0 | 0 | 0 | 0 | 110 | L592 T594 F596 L603 L638 R639 T640 I659 | L592-V649 HydrophobicContact CD2-CB 4.38Å; L592-V649 HydrophobicContact CD2-CG1 3.72Å; L592-V649 HydrophobicContact CD2-CG2 3.69Å; T594-V649 HydrophobicContact CG2-CG2 4.06Å; F596-V649 HydrophobicContact CE1-CG2 4.37Å; F596-V649 HydrophobicContact CZ-CB 4.23Å; F596-V649 HydrophobicContact CZ-CG2 3.72Å; L603-V649 HydrophobicContact CD1-CB 4.25Å; L603-V649 HydrophobicContact CD1-CG1 4.01Å; L603-V649 HydrophobicContact CD1-CG2 4.03Å; L638-V649 HydrophobicContact CB-CG1 4.18Å; L638-V649 HydrophobicContact CD2-CG1 4.11Å; R639-V649 CarbonylContact O-C 3.57Å; R639-V649 WeakPolarHBondContact O-CA 3.31Å; T640-V649 HydrophobicContact CG2-CG2 4.21Å; V649-I659 HydrophobicContact CB-CB 4.19Å; V649-I659 HydrophobicContact CG1-CD1 4.23Å; V649-I659 PolarHBondContact N-O 3.23Å; V649-I659 PolarHBondContact O-N 3.11Å |
| 650 | F | 95.6 | Very high | 88 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 125.8 | 171.6 | -157 | -76.2 | 0 | 0 | 0 | 109.5 | L638 R639 F641 P656 V658 V671 V676 M679 L693 | L638-F650 WeakPolarHBondContact CA-O 3.19Å; R639-F650 PolarHBondContact N-O 2.81Å; R639-F650 PolarHBondContact O-N 3.01Å; F641-F650 HydrophobicContact CD1-CB 3.92Å; F641-F650 HydrophobicContact CE1-CB 3.92Å; F641-F650 HydrophobicContact CE1-CD2 4.22Å; F650-P656 HydrophobicContact CE1-CB 3.98Å; F650-P656 HydrophobicContact CZ-CB 4.07Å; F650-V658 HydrophobicContact CD2-CG2 3.95Å; F650-V658 HydrophobicContact CE2-CG2 4.15Å; F650-V671 HydrophobicContact CE2-CG2 3.79Å; F650-V671 HydrophobicContact CZ-CB 4.41Å; F650-V671 HydrophobicContact CZ-CG1 4.47Å; F650-V671 HydrophobicContact CZ-CG2 3.88Å; F650-V676 HydrophobicContact CE1-CB 4.14Å; F650-V676 HydrophobicContact CE1-CG1 3.95Å; F650-V676 HydrophobicContact CE1-CG2 4.33Å; F650-V676 HydrophobicContact CZ-CG2 4.34Å; F650-M679 HydrophobicContact CB-CE 4.14Å; F650-M679 HydrophobicContact CB-CG 4.32Å; F650-M679 HydrophobicContact CB-SD 4.01Å; F650-M679 HydrophobicContact CD1-CB 4.18Å; F650-M679 HydrophobicContact CD1-CG 4.15Å; F650-M679 HydrophobicContact CD2-CE 4.18Å; F650-M679 HydrophobicContact CD2-CG 4.33Å; F650-M679 HydrophobicContact CG-CB 4.49Å; F650-M679 HydrophobicContact CG-CE 4.31Å; F650-M679 HydrophobicContact CG-CG 4.01Å; F650-M679 HydrophobicContact CG-SD 4.32Å; F650-L693 HydrophobicContact CE1-CD2 4.35Å; F650-L693 HydrophobicContact CE2-CD2 4.21Å; F650-L693 HydrophobicContact CZ-CD2 3.87Å |
| 651 | A | 94.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 102.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | L631 T636 L638 S653 P656 T657 I659 | L631-A651 HydrophobicContact CD1-CB 3.74Å; T636-A651 HydrophobicContact CG2-CB 3.59Å; L638-A651 HydrophobicContact CD2-CB 3.98Å; A651-S653 PolarHBondContact O-N 2.82Å; A651-P656 WeakPolarHBondContact O-CA 3.28Å; A651-T657 WeakPolarHBondContact CA-O 3.12Å; A651-T657 WeakPolarHBondContact CB-O 3.42Å; A651-T657 PolarHBondContact N-O 3Å; A651-T657 PolarHBondContact O-N 3.09Å; A651-T657 VanDerWaalsContact O-N 3.07Å; A651-I659 HydrophobicContact CB-CD1 4.23Å |
| 652 | C | 94.6 | Very high | 86.7 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 116.9 | 177.2 | -59.3 | 0 | 0 | 0 | 0 | 109.8 | T636 V637 V676 N677 M679 | T636-C652 CarbonylContact C-O 3.55Å; T636-C652 VanDerWaalsContact CA-O 3.24Å; T636-C652 WeakPolarHBondContact CA-O 3.47Å; T636-C652 WeakPolarHBondContact CG2-O 3.33Å; V637-C652 HydrophobicContact CB-CB 4.12Å; V637-C652 PolarHBondContact N-O 3.44Å; V637-C652 PolarHBondContact O-N 3.28Å; C652-V676 CarbonylContact C-O 3.48Å; C652-V676 VanDerWaalsContact CA-O 3.29Å; C652-V676 WeakPolarHBondContact CA-O 3.36Å; C652-V676 HydrophobicContact CB-CG1 4.35Å; C652-V676 WeakPolarHBondContact CB-O 3.48Å; C652-N677 WeakPolarHBondContact CB-O 3.36Å; C652-M679 WeakPolarHBondContact SG-CB 3.49Å |
| 653 | S | 89.9 | Confident | 86 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -156.1 | -176.4 | 177.4 | -156.1 | 0 | 0 | 0 | 0 | 110.3 | Q634 A651 R655 V676 | Q634-S653 PolarHBondContact O-OG 2.99Å; A651-S653 PolarHBondContact O-N 2.82Å; S653-R655 PolarHBondContact O-N 2.89Å; S653-V676 PolarHBondContact N-O 3.26Å; S653-V676 PolarHBondContact O-N 3.39Å |
| 654 | D | 81.7 | Confident | 85.6 | Confident | 37 Ų | 37 | 36.8 Ų | 36.8 | 20% | 0.198 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -59.2 | -18.8 | 160.6 | 59.4 | -30.5 | 0 | 0 | 0 | 113.8 | G632 T633 Q634 | G632-D654 VanDerWaalsContact CA-OD1 3.3Å; G632-D654 WeakPolarHBondContact CA-OD1 3.27Å; T633-D654 PolarHBondContact N-OD1 2.96Å; T633-D654 VanDerWaalsContact N-OD1 3.14Å; T633-D654 PolarHBondContact N-OD2 3.46Å; T633-D654 PolarHBondContact OG1-OD2 2.87Å; Q634-D654 HydrophobicContact CB-CB 4.14Å; Q634-D654 HydrophobicContact CG-CB 3.79Å; Q634-D654 PolarHBondContact N-OD1 2.87Å |
| 655 | R | 79 | Confident | 85.4 | Confident | 111 Ų | 111 | 33.8 Ų | 33.8 | 42% | 0.419 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -127.9 | 90.5 | 167.6 | -69.2 | -175 | 179.9 | -175.9 | 0.6 | 107.5 | L631 S653 T657 | L631-R655 WeakPolarHBondContact O-CB 3.34Å; L631-R655 VanDerWaalsContact O-CD 3.3Å; L631-R655 WeakPolarHBondContact O-CD 3.45Å; S653-R655 PolarHBondContact O-N 2.89Å; R655-T657 PolarHBondContact O-N 2.94Å; R655-T657 PolarHBondContact O-OG1 2.6Å |
| 656 | P | 89.1 | Confident | 85.7 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.019 | 16% | 0.155 | C | C | . | . | trans | -65.8 | 134.7 | -177.7 | 25.6 | -32.2 | 0 | 0 | 0 | 110.2 | F650 A651 N670 V671 L673 V676 | F650-P656 HydrophobicContact CE1-CB 3.98Å; F650-P656 HydrophobicContact CZ-CB 4.07Å; A651-P656 WeakPolarHBondContact O-CA 3.28Å; P656-N670 CarbonylContact O-C 3.18Å; P656-N670 WeakPolarHBondContact O-CA 3.48Å; P656-V671 HydrophobicContact CB-CB 4.09Å; P656-V671 HydrophobicContact CB-CG2 4.48Å; P656-V671 HydrophobicContact CG-CB 4.05Å; P656-V671 PolarHBondContact O-N 2.89Å; P656-L673 WeakPolarHBondContact CD-O 3.15Å; P656-L673 HydrophobicContact CG-CB 4.12Å; P656-L673 VanDerWaalsContact CG-O 3.24Å; P656-L673 WeakPolarHBondContact CG-O 3.41Å; P656-V676 HydrophobicContact CB-CB 4.14Å; P656-V676 HydrophobicContact CB-CG2 3.88Å; P656-V676 HydrophobicContact CG-CG2 4.12Å | ||
| 657 | T | 88.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 138.5 | -175.4 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | L631 A651 R655 F668 S669 N670 | L631-T657 HydrophobicContact CD2-CG2 4.07Å; A651-T657 WeakPolarHBondContact CA-O 3.12Å; A651-T657 WeakPolarHBondContact CB-O 3.42Å; A651-T657 PolarHBondContact N-O 3Å; A651-T657 PolarHBondContact O-N 3.09Å; A651-T657 VanDerWaalsContact O-N 3.07Å; R655-T657 PolarHBondContact O-N 2.94Å; R655-T657 PolarHBondContact O-OG1 2.6Å; T657-F668 HydrophobicContact CG2-CB 3.88Å; T657-F668 HydrophobicContact CG2-CD1 4.44Å; T657-S669 CarbonylContact C-O 3.57Å; T657-S669 WeakPolarHBondContact CA-O 3.24Å; T657-S669 WeakPolarHBondContact CG2-O 3.39Å; T657-N670 PolarHBondContact OG1-OD1 3.1Å |
| 658 | V | 91.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 130.2 | 167.2 | 179.7 | 0 | 0 | 0 | 0 | 109 | I394 F641 N648 F650 Y660 S669 V671 I704 I707 | I394-V658 HydrophobicContact CD1-CB 3.8Å; I394-V658 HydrophobicContact CD1-CG1 4.41Å; I394-V658 HydrophobicContact CD1-CG2 3.91Å; F641-V658 HydrophobicContact CE1-CG1 4.07Å; F641-V658 HydrophobicContact CZ-CG1 3.87Å; F641-V658 HydrophobicContact CZ-CG2 4.31Å; N648-V658 HydrophobicContact CB-CG1 4.37Å; F650-V658 HydrophobicContact CD2-CG2 3.95Å; F650-V658 HydrophobicContact CE2-CG2 4.15Å; V658-Y660 HydrophobicContact CG1-CD1 4.42Å; V658-S669 PolarHBondContact N-O 3.06Å; V658-S669 PolarHBondContact O-N 3.22Å; V658-V671 HydrophobicContact CG2-CG2 3.67Å; V658-I704 HydrophobicContact CG2-CD1 3.89Å; V658-I707 HydrophobicContact CB-CG2 4.45Å; V658-I707 HydrophobicContact CG1-CD1 4.11Å; V658-I707 HydrophobicContact CG1-CG1 4.35Å; V658-I707 HydrophobicContact CG1-CG2 3.7Å |
| 659 | I | 90.9 | Very high | 85 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121.4 | 176.9 | -46.6 | 170.6 | 0 | 0 | 0 | 107.5 | F596 L603 L611 L638 V649 A651 V667 F668 | F596-I659 HydrophobicContact CZ-CG2 4.25Å; L603-I659 HydrophobicContact CD1-CD1 4.31Å; L611-I659 HydrophobicContact CD2-CD1 3.54Å; L638-I659 HydrophobicContact CD2-CD1 4.15Å; V649-I659 HydrophobicContact CB-CB 4.19Å; V649-I659 HydrophobicContact CG1-CD1 4.23Å; V649-I659 PolarHBondContact N-O 3.23Å; V649-I659 PolarHBondContact O-N 3.11Å; A651-I659 HydrophobicContact CB-CD1 4.23Å; I659-V667 WeakPolarHBondContact CA-O 3.37Å; I659-F668 HydrophobicContact CB-CD1 4.48Å; I659-F668 HydrophobicContact CB-CE1 4.44Å; I659-F668 HydrophobicContact CD1-CD1 4.39Å; I659-F668 HydrophobicContact CD1-CE1 4.09Å; I659-F668 HydrophobicContact CG1-CD1 3.83Å; I659-F668 HydrophobicContact CG1-CE1 3.92Å; I659-F668 HydrophobicContact CG2-CD1 4.21Å; I659-F668 HydrophobicContact CG2-CE1 3.8Å; I659-F668 HydrophobicContact CG2-CZ 4.38Å |
| 660 | Y | 88.6 | Confident | 84.4 | Confident | 28 Ų | 28 | 31.1 Ų | 31.1 | 11% | 0.11 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 174.2 | 177.7 | 65.3 | -75 | 0 | 0 | 0 | 109.3 | N648 V658 L666 V667 S669 I707 | N648-Y660 WeakPolarHBondContact OD1-CB 3.42Å; V658-Y660 HydrophobicContact CG1-CD1 4.42Å; Y660-L666 CarbonylContact O-C 3.58Å; Y660-L666 WeakPolarHBondContact O-CA 3.44Å; Y660-V667 HydrophobicContact CD1-CB 4.16Å; Y660-V667 HydrophobicContact CD2-CB 4.44Å; Y660-V667 HydrophobicContact CE1-CB 3.72Å; Y660-V667 HydrophobicContact CE1-CG1 3.65Å; Y660-V667 HydrophobicContact CE2-CB 4.03Å; Y660-V667 HydrophobicContact CE2-CG1 4.33Å; Y660-V667 HydrophobicContact CE2-CG2 4.38Å; Y660-V667 PolarHBondContact N-O 2.91Å; Y660-V667 PolarHBondContact O-N 2.06Å; Y660-V667 WeakPolarHBondContact OH-CG1 3.41Å; Y660-S669 WeakPolarHBondContact CE1-OG 3.3Å; Y660-S669 PolarHBondContact OH-OG 3.27Å; Y660-I707 HydrophobicContact CD1-CG2 3.27Å; Y660-I707 HydrophobicContact CD2-CG2 4.13Å; Y660-I707 HydrophobicContact CE1-CG2 3.45Å; Y660-I707 VanDerWaalsContact CE1-CG2 3.45Å; Y660-I707 HydrophobicContact CE2-CG2 4.27Å; Y660-I707 HydrophobicContact CG-CG2 3.63Å |
| 661 | S | 83.4 | Confident | 84 | Confident | 15 Ų | 15 | 31.5 Ų | 31.5 | 11% | 0.105 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 140.5 | 171.4 | -167.5 | 0 | 0 | 0 | 0 | 111 | K665 | S661-K665 CarbonylContact C-O 3.52Å; S661-K665 WeakPolarHBondContact CA-O 3.38Å; S661-K665 PolarHBondContact OG-N 2.83Å; S661-K665 PolarHBondContact OG-O 2.87Å |
| 662 | S | 75.4 | Confident | 83.4 | Confident | 62 Ų | 62 | 33.3 Ų | 33.3 | 43% | 0.434 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 124.9 | 170.2 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | E597 H664 K665 | E597-S662 VanDerWaalsContact OE1-CA 3.31Å; E597-S662 WeakPolarHBondContact OE1-CA 3.36Å; S662-H664 VanDerWaalsContact C-N 3.35Å; S662-H664 PolarHBondContact O-N 2.77Å; S662-K665 PolarHBondContact N-O 3.43Å; S662-K665 PolarHBondContact O-N 3.06Å |
| 663 | N | 72.4 | Confident | 82.8 | Confident | 47 Ų | 47 | 35.4 Ų | 35.4 | 25% | 0.251 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 44.3 | -179.9 | -172.4 | 28.6 | 0 | 0 | 0 | 112.5 | E597 K665 | E597-N663 PolarHBondContact OE1-N 3.44Å; N663-K665 PolarHBondContact O-N 2.71Å; N663-K665 VanDerWaalsContact O-N 3.13Å |
| 664 | H | 73.1 | Confident | 82.2 | Confident | 81 Ų | 81 | 44.1 Ų | 44.1 | 38% | 0.375 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 24.3 | -178 | -52.7 | -63.1 | 0 | 0 | 0 | 114 | E597 S662 | E597-H664 VanDerWaalsContact OE2-CA 3.29Å; E597-H664 WeakPolarHBondContact OE2-CA 3.5Å; E597-H664 IonicContact OE2-CE1 3.69Å; E597-H664 IonicContact OE2-CG 2.79Å; E597-H664 PolarHBondContact OE2-N 3.17Å; E597-H664 IonicContact OE2-ND1 3.68Å; E597-H664 PolarHBondContact OE2-ND1 3.02Å; E597-H664 VanDerWaalsContact OE2-ND1 3.17Å; S662-H664 VanDerWaalsContact C-N 3.35Å; S662-H664 PolarHBondContact O-N 2.77Å |
| 665 | K | 72.4 | Confident | 82.5 | Confident | 93 Ų | 93 | 45.4 Ų | 45.4 | 40% | 0.404 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 139.6 | 176.1 | -177.8 | -178.3 | 169.6 | -177.6 | 0 | 109.3 | S661 S662 N663 D1100 | S661-K665 CarbonylContact C-O 3.52Å; S661-K665 WeakPolarHBondContact CA-O 3.38Å; S661-K665 PolarHBondContact OG-N 2.83Å; S661-K665 PolarHBondContact OG-O 2.87Å; S662-K665 PolarHBondContact N-O 3.43Å; S662-K665 PolarHBondContact O-N 3.06Å; N663-K665 PolarHBondContact O-N 2.71Å; N663-K665 VanDerWaalsContact O-N 3.13Å; K665-D1100 WeakPolarHBondContact CE-OD1 3.48Å; K665-D1100 IonicContact NZ-OD1 2.75Å; K665-D1100 PolarHBondContact NZ-OD1 3.49Å; K665-D1100 IonicContact NZ-OD2 2.75Å; K665-D1100 PolarHBondContact NZ-OD2 2.97Å |
| 666 | L | 82.2 | Confident | 83.1 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 132.3 | 173.2 | -63.2 | -172.5 | 0 | 0 | 0 | 110.6 | F596 Y601 L603 Y613 Y660 F668 | F596-L666 HydrophobicContact CB-CD2 4.42Å; F596-L666 HydrophobicContact CD2-CD2 3.43Å; F596-L666 VanDerWaalsContact CD2-CD2 3.43Å; F596-L666 HydrophobicContact CE2-CD2 3.72Å; F596-L666 HydrophobicContact CG-CD2 4.04Å; Y601-L666 HydrophobicContact CD1-CD1 4.14Å; Y601-L666 HydrophobicContact CD2-CD2 4.46Å; Y601-L666 HydrophobicContact CE1-CD1 4.36Å; Y601-L666 HydrophobicContact CE1-CG 4.37Å; Y601-L666 HydrophobicContact CE2-CD2 4.3Å; Y601-L666 HydrophobicContact CG-CD1 4.49Å; L603-L666 HydrophobicContact CD2-CD1 4.3Å; Y613-L666 HydrophobicContact CD1-CD1 4.38Å; Y613-L666 HydrophobicContact CD2-CD1 3.45Å; Y613-L666 VanDerWaalsContact CD2-CD1 3.45Å; Y613-L666 HydrophobicContact CD2-CG 4.42Å; Y613-L666 HydrophobicContact CE2-CB 4.48Å; Y613-L666 HydrophobicContact CE2-CD1 3.76Å; Y613-L666 HydrophobicContact CE2-CG 4.31Å; Y613-L666 HydrophobicContact CG-CD1 3.77Å; Y660-L666 CarbonylContact O-C 3.58Å; Y660-L666 WeakPolarHBondContact O-CA 3.44Å; L666-F668 HydrophobicContact CB-CE2 4.24Å; L666-F668 HydrophobicContact CB-CZ 4.26Å |
| 667 | V | 80.9 | Confident | 83.3 | Confident | 35 Ų | 35 | 41.7 Ų | 41.7 | 21% | 0.212 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 142.4 | 178.7 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | I659 Y660 | I659-V667 WeakPolarHBondContact CA-O 3.37Å; Y660-V667 HydrophobicContact CD1-CB 4.16Å; Y660-V667 HydrophobicContact CD2-CB 4.44Å; Y660-V667 HydrophobicContact CE1-CB 3.72Å; Y660-V667 HydrophobicContact CE1-CG1 3.65Å; Y660-V667 HydrophobicContact CE2-CB 4.03Å; Y660-V667 HydrophobicContact CE2-CG1 4.33Å; Y660-V667 HydrophobicContact CE2-CG2 4.38Å; Y660-V667 PolarHBondContact N-O 2.91Å; Y660-V667 PolarHBondContact O-N 2.06Å; Y660-V667 WeakPolarHBondContact OH-CG1 3.41Å |
| 668 | F | 83.6 | Confident | 83.7 | Confident | 48 Ų | 48 | 44.7 Ų | 44.7 | 21% | 0.211 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 111.4 | -177.9 | -58.1 | -87.7 | 0 | 0 | 0 | 108.1 | L611 Y613 V629 L631 T657 I659 L666 | L611-F668 HydrophobicContact CD2-CE1 3.69Å; L611-F668 HydrophobicContact CD2-CZ 4.44Å; Y613-F668 HydrophobicContact CD1-CZ 4.05Å; Y613-F668 HydrophobicContact CE1-CE2 4.14Å; Y613-F668 AromaticContact CE1-CZ 3.78Å; Y613-F668 HydrophobicContact CE1-CZ 3.78Å; V629-F668 HydrophobicContact CB-CZ 4.46Å; V629-F668 HydrophobicContact CG1-CD2 4.47Å; V629-F668 HydrophobicContact CG1-CG 4.49Å; V629-F668 HydrophobicContact CG2-CD2 4.41Å; V629-F668 HydrophobicContact CG2-CE2 3.85Å; V629-F668 HydrophobicContact CG2-CZ 4.02Å; L631-F668 HydrophobicContact CD2-CB 4.49Å; L631-F668 HydrophobicContact CD2-CD1 3.87Å; L631-F668 HydrophobicContact CD2-CG 4.41Å; T657-F668 HydrophobicContact CG2-CB 3.88Å; T657-F668 HydrophobicContact CG2-CD1 4.44Å; I659-F668 HydrophobicContact CB-CD1 4.48Å; I659-F668 HydrophobicContact CB-CE1 4.44Å; I659-F668 HydrophobicContact CD1-CD1 4.39Å; I659-F668 HydrophobicContact CD1-CE1 4.09Å; I659-F668 HydrophobicContact CG1-CD1 3.83Å; I659-F668 HydrophobicContact CG1-CE1 3.92Å; I659-F668 HydrophobicContact CG2-CD1 4.21Å; I659-F668 HydrophobicContact CG2-CE1 3.8Å; I659-F668 HydrophobicContact CG2-CZ 4.38Å; L666-F668 HydrophobicContact CB-CE2 4.24Å; L666-F668 HydrophobicContact CB-CZ 4.26Å |
| 669 | S | 82.7 | Confident | 83.9 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 123.4 | -178.8 | -68 | 0 | 0 | 0 | 0 | 110.1 | T657 V658 Y660 Q708 K709 | T657-S669 CarbonylContact C-O 3.57Å; T657-S669 WeakPolarHBondContact CA-O 3.24Å; T657-S669 WeakPolarHBondContact CG2-O 3.39Å; V658-S669 PolarHBondContact N-O 3.06Å; V658-S669 PolarHBondContact O-N 3.22Å; Y660-S669 WeakPolarHBondContact CE1-OG 3.3Å; Y660-S669 PolarHBondContact OH-OG 3.27Å; S669-Q708 PolarHBondContact OG-O 3.39Å; S669-K709 WeakPolarHBondContact OG-CA 3.24Å |
| 670 | N | 82.9 | Confident | 84.1 | Confident | 79 Ų | 79 | 45 Ų | 45 | 42% | 0.422 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 145.7 | 179.7 | -69.2 | -16 | 0 | 0 | 0 | 110.5 | G393 I394 P656 T657 | G393-N670 CarbonylContact C-O 3.56Å; G393-N670 WeakPolarHBondContact CA-O 3.29Å; I394-N670 PolarHBondContact N-O 3.27Å; P656-N670 CarbonylContact O-C 3.18Å; P656-N670 WeakPolarHBondContact O-CA 3.48Å; T657-N670 PolarHBondContact OG1-OD1 3.1Å |
| 671 | V | 86.9 | Confident | 84.4 | Confident | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -95 | 139.2 | 172.6 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | I394 I396 F650 P656 V658 L673 | I394-V671 CarbonylContact O-C 3.34Å; I394-V671 WeakPolarHBondContact O-CA 3.01Å; I396-V671 HydrophobicContact CD1-CG1 3.9Å; I396-V671 HydrophobicContact CG1-CG1 3.72Å; F650-V671 HydrophobicContact CE2-CG2 3.79Å; F650-V671 HydrophobicContact CZ-CB 4.41Å; F650-V671 HydrophobicContact CZ-CG1 4.47Å; F650-V671 HydrophobicContact CZ-CG2 3.88Å; P656-V671 HydrophobicContact CB-CB 4.09Å; P656-V671 HydrophobicContact CB-CG2 4.48Å; P656-V671 HydrophobicContact CG-CB 4.05Å; P656-V671 PolarHBondContact O-N 2.89Å; V658-V671 HydrophobicContact CG2-CG2 3.67Å; V671-L673 HydrophobicContact CG1-CB 4.42Å; V671-L673 HydrophobicContact CG1-CD1 4.04Å; V671-L673 HydrophobicContact CG1-CG 4.08Å; V671-L673 PolarHBondContact O-N 2.95Å |
| 672 | N | 81.9 | Confident | 84.9 | Confident | 38 Ų | 38 | 45.2 Ų | 45.2 | 20% | 0.203 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -76.6 | 51.1 | -177.2 | -66.2 | -36.1 | 0 | 0 | 0 | 112.2 | R391 N392 G393 I394 | R391-N672 PolarHBondContact NE-ND2 3.26Å; N392-N672 PolarHBondContact O-ND2 3.39Å; N392-N672 PolarHBondContact O-OD1 3.09Å; G393-N672 PolarHBondContact O-ND2 2.83Å; I394-N672 PolarHBondContact O-N 2.9Å |
| 673 | L | 80.6 | Confident | 85.8 | Confident | 46 Ų | 46 | 45.1 Ų | 45.1 | 24% | 0.241 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -130 | 146.2 | 176 | -67.5 | 174.9 | 0 | 0 | 0 | 109.2 | I396 P656 V671 V676 L693 | I396-L673 HydrophobicContact CB-CD1 4.42Å; I396-L673 HydrophobicContact CD1-CD1 4.01Å; I396-L673 HydrophobicContact CG1-CD1 4.16Å; P656-L673 WeakPolarHBondContact CD-O 3.15Å; P656-L673 HydrophobicContact CG-CB 4.12Å; P656-L673 VanDerWaalsContact CG-O 3.24Å; P656-L673 WeakPolarHBondContact CG-O 3.41Å; V671-L673 HydrophobicContact CG1-CB 4.42Å; V671-L673 HydrophobicContact CG1-CD1 4.04Å; V671-L673 HydrophobicContact CG1-CG 4.08Å; V671-L673 PolarHBondContact O-N 2.95Å; L673-V676 HydrophobicContact CB-CG2 4.26Å; L673-V676 HydrophobicContact CD1-CG2 3.96Å; L673-L693 HydrophobicContact CD1-CD1 4.14Å |
| 674 | K | 78.8 | Confident | 86.8 | Confident | 186 Ų | 186 | 43 Ų | 43 | 81% | 0.809 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -67.1 | -42.1 | -175.3 | -67.2 | -176.7 | -179.3 | 177.2 | 0 | 113.7 | ||
| 675 | E | 86.6 | Confident | 87.5 | Confident | 64 Ų | 64 | 46.3 Ų | 46.3 | 30% | 0.299 | 23% | 0.225 | S | C | . | . | trans | -160.7 | 136.3 | -176.2 | -177.9 | -176.7 | -172.9 | 0 | 0 | 108 | N677 N695 N696 | E675-N677 PolarHBondContact OE1-OD1 3.27Å; E675-N695 WeakPolarHBondContact O-CB 3.41Å; E675-N696 PolarHBondContact OE1-ND2 2.89Å; E675-N696 PolarHBondContact OE2-ND2 2.87Å | ||
| 676 | V | 93 | Very high | 88.3 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | trans | -131.1 | 120.8 | 170.7 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | F650 C652 S653 P656 L673 M679 L693 | F650-V676 HydrophobicContact CE1-CB 4.14Å; F650-V676 HydrophobicContact CE1-CG1 3.95Å; F650-V676 HydrophobicContact CE1-CG2 4.33Å; F650-V676 HydrophobicContact CZ-CG2 4.34Å; C652-V676 CarbonylContact C-O 3.48Å; C652-V676 VanDerWaalsContact CA-O 3.29Å; C652-V676 WeakPolarHBondContact CA-O 3.36Å; C652-V676 HydrophobicContact CB-CG1 4.35Å; C652-V676 WeakPolarHBondContact CB-O 3.48Å; S653-V676 PolarHBondContact N-O 3.26Å; S653-V676 PolarHBondContact O-N 3.39Å; P656-V676 HydrophobicContact CB-CB 4.14Å; P656-V676 HydrophobicContact CB-CG2 3.88Å; P656-V676 HydrophobicContact CG-CG2 4.12Å; L673-V676 HydrophobicContact CB-CG2 4.26Å; L673-V676 HydrophobicContact CD1-CG2 3.96Å; V676-M679 HydrophobicContact CG1-CB 4.37Å; V676-L693 HydrophobicContact CG1-CB 4.5Å; V676-L693 HydrophobicContact CG1-CD2 3.86Å; V676-L693 HydrophobicContact CG2-CD2 4.29Å | ||
| 677 | N | 93.5 | Very high | 88.8 | Confident | 33 Ų | 33 | 43 Ų | 43 | 18% | 0.176 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -90.5 | -42 | -179.5 | -72.5 | -27.9 | 0 | 0 | 0 | 112 | C652 E675 A694 N696 | C652-N677 WeakPolarHBondContact CB-O 3.36Å; E675-N677 PolarHBondContact OE1-OD1 3.27Å; N677-A694 PolarHBondContact N-O 2.83Å; N677-N696 PolarHBondContact ND2-OD1 2.9Å |
| 678 | Y | 95.3 | Very high | 89.2 | Confident | 64 Ų | 64 | 44.8 Ų | 44.8 | 25% | 0.251 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 147.9 | -179 | -57.8 | -82.7 | 0 | 0 | 0 | 109.9 | I407 K408 A694 | I407-Y678 WeakPolarHBondContact O-CD2 3.32Å; I407-Y678 VanDerWaalsContact O-CE2 3.25Å; I407-Y678 WeakPolarHBondContact O-CE2 3.41Å; K408-Y678 VanDerWaalsContact C-CZ 3.47Å; K408-Y678 VanDerWaalsContact CA-CE2 3.4Å; K408-Y678 HydrophobicContact CD-CE2 4.36Å; K408-Y678 WeakPolarHBondContact O-CE1 3.19Å; K408-Y678 VanDerWaalsContact O-CZ 3.23Å; Y678-A694 PolarHBondContact N-O 3Å; Y678-A694 PolarHBondContact O-N 3.45Å |
| 679 | M | 96 | Very high | 89.5 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 144 | -178.3 | 177.7 | -83.3 | -171.6 | 0 | 0 | 109.2 | R639 F641 F650 C652 V676 L691 A692 L693 | R639-M679 HydrophobicContact CB-SD 4.09Å; R639-M679 WeakPolarHBondContact CG-O 3.12Å; F641-M679 HydrophobicContact CB-CE 3.69Å; F641-M679 HydrophobicContact CD1-CE 3.93Å; F641-M679 HydrophobicContact CD2-CE 4.4Å; F641-M679 HydrophobicContact CG-CE 3.76Å; F650-M679 HydrophobicContact CB-CE 4.14Å; F650-M679 HydrophobicContact CB-CG 4.32Å; F650-M679 HydrophobicContact CB-SD 4.01Å; F650-M679 HydrophobicContact CD1-CB 4.18Å; F650-M679 HydrophobicContact CD1-CG 4.15Å; F650-M679 HydrophobicContact CD2-CE 4.18Å; F650-M679 HydrophobicContact CD2-CG 4.33Å; F650-M679 HydrophobicContact CG-CB 4.49Å; F650-M679 HydrophobicContact CG-CE 4.31Å; F650-M679 HydrophobicContact CG-CG 4.01Å; F650-M679 HydrophobicContact CG-SD 4.32Å; C652-M679 WeakPolarHBondContact SG-CB 3.49Å; V676-M679 HydrophobicContact CG1-CB 4.37Å; M679-L691 HydrophobicContact CE-CB 4.11Å; M679-L691 HydrophobicContact CE-CD1 3.66Å; M679-L691 HydrophobicContact CE-CD2 3.22Å; M679-L691 HydrophobicContact CE-CG 3.83Å; M679-A692 CarbonylContact C-O 3.5Å; M679-A692 VanDerWaalsContact CA-O 3.32Å; M679-A692 WeakPolarHBondContact CA-O 3.2Å; M679-L693 HydrophobicContact CB-CD2 4.15Å; M679-L693 HydrophobicContact CG-CD2 3.75Å |
| 680 | C | 95.3 | Very high | 89.9 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.02 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 150.6 | 162.6 | 67.7 | 0 | 0 | 0 | 0 | 111.3 | L410 A692 | L410-C680 HydrophobicContact CB-CB 4.25Å; C680-A692 PolarHBondContact N-O 2.96Å; C680-A692 PolarHBondContact O-N 2.94Å |
| 681 | P | 95.4 | Very high | 90.5 | Very high | 48 Ų | 48 | 45 Ų | 45 | 31% | 0.312 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 147.9 | 166.1 | 29 | -33.9 | 0 | 0 | 0 | 110 | P412 F641 L691 | P412-P681 VanDerWaalsContact CG-O 3.31Å; P412-P681 WeakPolarHBondContact CG-O 3.41Å; F641-P681 HydrophobicContact CB-CB 4.28Å; P681-L691 HydrophobicContact CB-CD2 4.45Å |
| 682 | L | 94.6 | Very high | 91 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 114.5 | 177.6 | -175.9 | 72.2 | 0 | 0 | 0 | 109.3 | P412 D422 L425 L438 S690 A692 I701 | P412-L682 HydrophobicContact CB-CD1 4.19Å; D422-L682 HydrophobicContact CB-CD1 4.22Å; L425-L682 HydrophobicContact CD1-CD1 4.5Å; L438-L682 HydrophobicContact CD1-CD1 3.7Å; L438-L682 HydrophobicContact CD1-CD2 3.95Å; L438-L682 HydrophobicContact CD1-CG 4.24Å; L682-S690 CarbonylContact C-O 3.58Å; L682-S690 PolarHBondContact N-O 3.07Å; L682-S690 CarbonylContact O-C 3.59Å; L682-S690 WeakPolarHBondContact O-CA 3.15Å; L682-S690 PolarHBondContact O-N 2.86Å; L682-A692 HydrophobicContact CB-CB 4.49Å; L682-I701 HydrophobicContact CD2-CD1 4.09Å; L682-I701 HydrophobicContact CD2-CG1 4.43Å; L682-I701 HydrophobicContact CD2-CG2 3.85Å |
| 683 | N | 93.4 | Very high | 91.6 | Very high | 59 Ų | 59 | 43.1 Ų | 43.1 | 32% | 0.316 | 22% | 0.221 | S | C | . | . | trans | -118.3 | 81.1 | 177.5 | -174.2 | 29.6 | 0 | 0 | 0 | 110.7 | T421 D422 D689 | T421-N683 CarbonylContact C-O 3.55Å; T421-N683 VanDerWaalsContact CA-O 3.31Å; T421-N683 WeakPolarHBondContact CA-O 3.15Å; T421-N683 WeakPolarHBondContact CB-O 3.23Å; D422-N683 PolarHBondContact N-O 3.4Å; D422-N683 PolarHBondContact OD2-N 3.44Å; N683-D689 PolarHBondContact OD1-N 3.45Å | ||
| 684 | S | 92.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -103.2 | 170.7 | -178.8 | 70.9 | 0 | 0 | 0 | 0 | 112.1 | D422 Y687 P688 | D422-S684 WeakPolarHBondContact O-CA 3.32Å; D422-S684 WeakPolarHBondContact O-CB 3.38Å; S684-Y687 PolarHBondContact N-O 3.28Å; S684-Y687 CarbonylContact O-C 3.57Å; S684-Y687 PolarHBondContact O-N 3.18Å; S684-Y687 WeakPolarHBondContact OG-CA 3.33Å; S684-Y687 VanDerWaalsContact OG-CB 3.3Å; S684-Y687 WeakPolarHBondContact OG-CB 3.43Å; S684-Y687 PolarHBondContact OG-N 3.45Å; S684-Y687 PolarHBondContact OG-O 2.97Å; S684-P688 WeakPolarHBondContact O-CA 3.36Å |
| 685 | E | 89.8 | Confident | 93 | Very high | 150 Ų | 150 | 34 Ų | 34 | 70% | 0.701 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -66.5 | -38.6 | 178.8 | -169 | 176.4 | 180 | 0 | 0 | 112.7 | ||
| 686 | G | 89.1 | Confident | 93.1 | Very high | 18 Ų | 18 | 35.1 Ų | 35.1 | 19% | 0.186 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -84.6 | -24.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | G440 | G440-G686 WeakPolarHBondContact O-CA 3.33Š|
| 687 | Y | 91.8 | Very high | 92.9 | Very high | 15 Ų | 15 | 38 Ų | 38 | 6% | 0.059 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -127 | 77.4 | 177.2 | -49.1 | -72.7 | 0 | 0 | 0 | 109.8 | H399 A400 E441 V443 S684 I701 | H399-Y687 HydrophobicContact CB-CD1 3.93Å; H399-Y687 HydrophobicContact CB-CE1 3.84Å; A400-Y687 HydrophobicContact CB-CE1 4.23Å; E441-Y687 PolarHBondContact O-OH 3.07Å; V443-Y687 HydrophobicContact CG2-CE2 4.4Å; S684-Y687 PolarHBondContact N-O 3.28Å; S684-Y687 CarbonylContact O-C 3.57Å; S684-Y687 PolarHBondContact O-N 3.18Å; S684-Y687 WeakPolarHBondContact OG-CA 3.33Å; S684-Y687 VanDerWaalsContact OG-CB 3.3Å; S684-Y687 WeakPolarHBondContact OG-CB 3.43Å; S684-Y687 PolarHBondContact OG-N 3.45Å; S684-Y687 PolarHBondContact OG-O 2.97Å; Y687-I701 HydrophobicContact CD1-CG2 4.03Å; Y687-I701 HydrophobicContact CD2-CG2 4.22Å; Y687-I701 HydrophobicContact CE2-CD1 4.35Å; Y687-I701 HydrophobicContact CG-CG2 3.83Å |
| 688 | P | 90.1 | Very high | 92.9 | Very high | 71 Ų | 71 | 37.5 Ų | 37.5 | 46% | 0.461 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 144.8 | 177 | 29 | -34.3 | 0 | 0 | 0 | 110.5 | S684 S690 | S684-P688 WeakPolarHBondContact O-CA 3.36Å; P688-S690 PolarHBondContact O-N 3.09Å; P688-S690 PolarHBondContact O-OG 2.87Å |
| 689 | D | 88.3 | Confident | 92.9 | Very high | 129 Ų | 129 | 34.4 Ų | 34.4 | 69% | 0.69 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 43.8 | 37.8 | 175.6 | -64.7 | -43.2 | 0 | 0 | 0 | 114.6 | N683 | N683-D689 PolarHBondContact OD1-N 3.45Š|
| 690 | S | 93.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 172 | -173.5 | -66.5 | 0 | 0 | 0 | 0 | 111.9 | L682 P688 T703 | L682-S690 CarbonylContact C-O 3.58Å; L682-S690 PolarHBondContact N-O 3.07Å; L682-S690 CarbonylContact O-C 3.59Å; L682-S690 WeakPolarHBondContact O-CA 3.15Å; L682-S690 PolarHBondContact O-N 2.86Å; P688-S690 PolarHBondContact O-N 3.09Å; P688-S690 PolarHBondContact O-OG 2.87Å; S690-T703 WeakPolarHBondContact OG-CG2 3.49Å |
| 691 | L | 95 | Very high | 92.8 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 139.1 | 176.4 | -55.7 | 179.9 | 0 | 0 | 0 | 109.3 | F641 M679 P681 I701 G702 I704 | F641-L691 HydrophobicContact CB-CD2 4.23Å; F641-L691 HydrophobicContact CD2-CD1 4.5Å; F641-L691 HydrophobicContact CD2-CD2 3.97Å; F641-L691 HydrophobicContact CE2-CD1 4.49Å; F641-L691 HydrophobicContact CG-CD2 4.29Å; M679-L691 HydrophobicContact CE-CB 4.11Å; M679-L691 HydrophobicContact CE-CD1 3.66Å; M679-L691 HydrophobicContact CE-CD2 3.22Å; M679-L691 HydrophobicContact CE-CG 3.83Å; P681-L691 HydrophobicContact CB-CD2 4.45Å; L691-I701 WeakPolarHBondContact O-CA 3.5Å; L691-G702 PolarHBondContact N-O 3.39Å; L691-G702 PolarHBondContact O-N 2.95Å; L691-I704 HydrophobicContact CD1-CB 3.75Å; L691-I704 HydrophobicContact CD1-CD1 4.03Å; L691-I704 HydrophobicContact CD1-CG1 4.39Å; L691-I704 HydrophobicContact CD1-CG2 4.15Å |
| 692 | A | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 125.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | L410 L425 M679 C680 L682 L699 T700 I701 | L410-A692 HydrophobicContact CD1-CB 4.42Å; L425-A692 HydrophobicContact CD1-CB 4.38Å; L425-A692 HydrophobicContact CD2-CB 4.17Å; M679-A692 CarbonylContact C-O 3.5Å; M679-A692 VanDerWaalsContact CA-O 3.32Å; M679-A692 WeakPolarHBondContact CA-O 3.2Å; C680-A692 PolarHBondContact N-O 2.96Å; C680-A692 PolarHBondContact O-N 2.94Å; L682-A692 HydrophobicContact CB-CB 4.49Å; A692-L699 HydrophobicContact CB-CD1 4.37Å; A692-T700 WeakPolarHBondContact CA-O 3.33Å; A692-I701 HydrophobicContact CB-CG1 4.4Å |
| 693 | L | 95.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 129.3 | -171.5 | -60.4 | 146.1 | 0 | 0 | 0 | 109 | I396 F650 L673 V676 M679 L699 T700 | I396-L693 HydrophobicContact CD1-CD1 3.47Å; I396-L693 VanDerWaalsContact CD1-CD1 3.47Å; I396-L693 HydrophobicContact CD1-CD2 4.32Å; I396-L693 HydrophobicContact CG2-CD1 3.9Å; F650-L693 HydrophobicContact CE1-CD2 4.35Å; F650-L693 HydrophobicContact CE2-CD2 4.21Å; F650-L693 HydrophobicContact CZ-CD2 3.87Å; L673-L693 HydrophobicContact CD1-CD1 4.14Å; V676-L693 HydrophobicContact CG1-CB 4.5Å; V676-L693 HydrophobicContact CG1-CD2 3.86Å; V676-L693 HydrophobicContact CG2-CD2 4.29Å; M679-L693 HydrophobicContact CB-CD2 4.15Å; M679-L693 HydrophobicContact CG-CD2 3.75Å; L693-L699 CarbonylContact O-C 3.27Å; L693-L699 WeakPolarHBondContact O-CA 3.3Å; L693-T700 PolarHBondContact N-O 3.3Å; L693-T700 PolarHBondContact O-N 3.16Å |
| 694 | A | 95.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | I407 L410 N677 Y678 T698 L699 | I407-A694 HydrophobicContact CB-CB 3.88Å; I407-A694 HydrophobicContact CD1-CB 3.69Å; I407-A694 HydrophobicContact CG1-CB 4.39Å; I407-A694 HydrophobicContact CG2-CB 3.73Å; L410-A694 HydrophobicContact CD1-CB 3.71Å; L410-A694 HydrophobicContact CG-CB 4.27Å; N677-A694 PolarHBondContact N-O 2.83Å; Y678-A694 PolarHBondContact N-O 3Å; Y678-A694 PolarHBondContact O-N 3.45Å; A694-T698 WeakPolarHBondContact CA-O 3.2Å; A694-L699 HydrophobicContact CB-CD1 4.49Å |
| 695 | N | 92.3 | Very high | 91.6 | Very high | 40 Ų | 40 | 33.4 Ų | 33.4 | 21% | 0.214 | 19% | 0.188 | C | C | . | . | trans | -107.6 | -162.1 | 167.4 | 67.9 | 34.4 | 0 | 0 | 0 | 110 | E675 S697 T698 | E675-N695 WeakPolarHBondContact O-CB 3.41Å; N695-S697 VanDerWaalsContact C-N 3.27Å; N695-S697 PolarHBondContact O-N 3.34Å; N695-S697 PolarHBondContact OD1-N 3.04Å; N695-S697 PolarHBondContact OD1-OG 2.86Å; N695-S697 VanDerWaalsContact OD1-OG 3.07Å; N695-T698 PolarHBondContact N-O 3.07Å; N695-T698 PolarHBondContact ND2-OG1 3.17Å; N695-T698 PolarHBondContact OD1-N 3.06Å; N695-T698 PolarHBondContact OD1-O 2.77Å; N695-T698 PolarHBondContact OD1-OG1 3.03Å | ||
| 696 | N | 89.9 | Confident | 90.9 | Very high | 86 Ų | 86 | 32.1 Ų | 32.1 | 46% | 0.46 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -68.7 | -23.5 | -179.1 | -73.1 | -48.2 | 0 | 0 | 0 | 113.9 | P405 G406 E675 N677 | P405-N696 WeakPolarHBondContact CA-O 3.43Å; G406-N696 PolarHBondContact N-O 2.7Å; E675-N696 PolarHBondContact OE1-ND2 2.89Å; E675-N696 PolarHBondContact OE2-ND2 2.87Å; N677-N696 PolarHBondContact ND2-OD1 2.9Å |
| 697 | S | 88.9 | Confident | 90.3 | Very high | 64 Ų | 64 | 32.3 Ų | 32.3 | 45% | 0.448 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -121.6 | -31.9 | -170.6 | 46.5 | 0 | 0 | 0 | 0 | 115.4 | L404 N695 | L404-S697 CarbonylContact C-O 3.58Å; L404-S697 PolarHBondContact N-O 3.34Å; N695-S697 VanDerWaalsContact C-N 3.27Å; N695-S697 PolarHBondContact O-N 3.34Å; N695-S697 PolarHBondContact OD1-N 3.04Å; N695-S697 PolarHBondContact OD1-OG 2.86Å; N695-S697 VanDerWaalsContact OD1-OG 3.07Å |
| 698 | T | 93.4 | Very high | 89.3 | Confident | 22 Ų | 22 | 34.2 Ų | 34.2 | 14% | 0.135 | 19% | 0.189 | C | C | . | . | trans | -135 | 150.5 | -167.5 | 64.9 | 0 | 0 | 0 | 0 | 111.8 | I402 D403 A694 N695 | I402-T698 CarbonylContact O-C 3.57Å; I402-T698 WeakPolarHBondContact O-CA 3.49Å; D403-T698 VanDerWaalsContact OD1-CG2 3.24Å; D403-T698 WeakPolarHBondContact OD1-CG2 3.43Å; A694-T698 WeakPolarHBondContact CA-O 3.2Å; N695-T698 PolarHBondContact N-O 3.07Å; N695-T698 PolarHBondContact ND2-OG1 3.17Å; N695-T698 PolarHBondContact OD1-N 3.06Å; N695-T698 PolarHBondContact OD1-O 2.77Å; N695-T698 PolarHBondContact OD1-OG1 3.03Å | ||
| 699 | L | 94.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 123.4 | 165.6 | 170.6 | 66.6 | 0 | 0 | 0 | 108.3 | S401 I402 L404 I407 L410 L425 L427 L436 A692 L693 A694 | S401-L699 WeakPolarHBondContact CA-O 3.5Å; I402-L699 HydrophobicContact CB-CB 4.43Å; I402-L699 HydrophobicContact CD1-CD2 4.32Å; I402-L699 PolarHBondContact N-O 2.99Å; I402-L699 PolarHBondContact O-N 2.89Å; L404-L699 HydrophobicContact CD1-CD2 4.37Å; I407-L699 HydrophobicContact CD1-CB 3.88Å; L410-L699 HydrophobicContact CD1-CD1 3.89Å; L410-L699 HydrophobicContact CD2-CD1 3.95Å; L425-L699 HydrophobicContact CD2-CD2 3.95Å; L427-L699 HydrophobicContact CD2-CD2 3.88Å; L436-L699 HydrophobicContact CD1-CD2 4.19Å; A692-L699 HydrophobicContact CB-CD1 4.37Å; L693-L699 CarbonylContact O-C 3.27Å; L693-L699 WeakPolarHBondContact O-CA 3.3Å; A694-L699 HydrophobicContact CB-CD1 4.49Å |
| 700 | T | 93.6 | Very high | 88.2 | Confident | 13 Ų | 13 | 28.5 Ų | 28.5 | 8% | 0.08 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 139 | 178.8 | -44 | 0 | 0 | 0 | 0 | 109.7 | E398 A400 A692 L693 | E398-T700 HydrophobicContact CB-CG2 4Å; E398-T700 HydrophobicContact CG-CG2 3.68Å; A400-T700 CarbonylContact O-C 3.52Å; A400-T700 WeakPolarHBondContact O-CA 3.12Å; A400-T700 WeakPolarHBondContact O-CG2 3.41Å; A692-T700 WeakPolarHBondContact CA-O 3.33Å; L693-T700 PolarHBondContact N-O 3.3Å; L693-T700 PolarHBondContact O-N 3.16Å |
| 701 | I | 94.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 130.6 | 173.3 | -56.5 | 172.5 | 0 | 0 | 0 | 107.8 | H399 A400 L682 Y687 L691 A692 | H399-I701 PolarHBondContact N-O 2.83Å; A400-I701 HydrophobicContact CB-CB 4.33Å; A400-I701 PolarHBondContact N-O 2.75Å; A400-I701 PolarHBondContact O-N 3.18Å; L682-I701 HydrophobicContact CD2-CD1 4.09Å; L682-I701 HydrophobicContact CD2-CG1 4.43Å; L682-I701 HydrophobicContact CD2-CG2 3.85Å; Y687-I701 HydrophobicContact CD1-CG2 4.03Å; Y687-I701 HydrophobicContact CD2-CG2 4.22Å; Y687-I701 HydrophobicContact CE2-CD1 4.35Å; Y687-I701 HydrophobicContact CG-CG2 3.83Å; L691-I701 WeakPolarHBondContact O-CA 3.5Å; A692-I701 HydrophobicContact CB-CG1 4.4Å |
| 702 | G | 92.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.7 | 164.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | H397 L691 | H397-G702 CarbonylContact O-C 3.58Å; H397-G702 WeakPolarHBondContact O-CA 3.49Å; L691-G702 PolarHBondContact N-O 3.39Å; L691-G702 PolarHBondContact O-N 2.95Å |
| 703 | T | 90.6 | Very high | 86.8 | Confident | 36 Ų | 36 | 36.6 Ų | 36.6 | 22% | 0.221 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 150.3 | 173.5 | 52.2 | 0 | 0 | 0 | 0 | 110.5 | I396 H397 S690 | I396-T703 WeakPolarHBondContact CA-O 3.17Å; H397-T703 PolarHBondContact N-O 2.96Å; H397-T703 PolarHBondContact O-N 3.03Å; H397-T703 VanDerWaalsContact O-N 3.11Å; S690-T703 WeakPolarHBondContact OG-CG2 3.49Å |
| 704 | I | 87.3 | Confident | 86.5 | Confident | 22 Ų | 22 | 38.9 Ų | 38.9 | 11% | 0.113 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 141.6 | 174.9 | -164.9 | 167.7 | 0 | 0 | 0 | 110 | I394 F641 V658 L691 | I394-I704 HydrophobicContact CG2-CD1 4.01Å; I394-I704 HydrophobicContact CG2-CG1 3.59Å; F641-I704 HydrophobicContact CE2-CD1 4.11Å; F641-I704 HydrophobicContact CE2-CG2 4.23Å; F641-I704 HydrophobicContact CZ-CD1 3.94Å; V658-I704 HydrophobicContact CG2-CD1 3.89Å; L691-I704 HydrophobicContact CD1-CB 3.75Å; L691-I704 HydrophobicContact CD1-CD1 4.03Å; L691-I704 HydrophobicContact CD1-CG1 4.39Å; L691-I704 HydrophobicContact CD1-CG2 4.15Å |
| 705 | D | 81.7 | Confident | 86.3 | Confident | 22 Ų | 22 | 39.9 Ų | 39.9 | 12% | 0.118 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -63 | 167.7 | 169.2 | -74.9 | -28.9 | 0 | 0 | 0 | 111.8 | I394 G395 H397 I707 H711 | I394-D705 HydrophobicContact CG2-CB 4.05Å; G395-D705 WeakPolarHBondContact CA-OD2 3.27Å; G395-D705 PolarHBondContact N-OD2 3.04Å; G395-D705 VanDerWaalsContact N-OD2 3.15Å; G395-D705 WeakPolarHBondContact O-CB 3.45Å; G395-D705 PolarHBondContact O-N 2.85Å; G395-D705 VanDerWaalsContact O-N 3.09Å; H397-D705 IonicContact CD2-OD1 2.75Å; H397-D705 PolarHBondContact CD2-OD1 2.78Å; H397-D705 IonicContact NE2-OD1 2.71Å; H397-D705 PolarHBondContact NE2-OD1 3.18Å; D705-I707 PolarHBondContact O-N 2.95Å; D705-H711 IonicContact OD1-CE1 3.9Å; D705-H711 IonicContact OD2-CE1 2.96Å; D705-H711 IonicContact OD2-ND1 2.69Å |
| 706 | E | 75.6 | Confident | 86.4 | Confident | 123 Ų | 123 | 41.4 Ų | 41.4 | 58% | 0.575 | 22% | 0.216 | S | C | * | . | P | Polyproline II helix | trans | -54.2 | 131.7 | 170.3 | -159.8 | -171.1 | 152.4 | 0 | 0 | 110.6 | Q708 | E706-Q708 HydrophobicContact CG-CG 4.41Å; E706-Q708 PolarHBondContact O-N 2.58Å; E706-Q708 PolarHBondContact OE1-NE2 3.45Å; E706-Q708 PolarHBondContact OE2-NE2 2.8Å |
| 707 | I | 76.8 | Confident | 86.7 | Confident | 23 Ų | 23 | 37.5 Ų | 37.5 | 12% | 0.118 | 20% | 0.195 | C | C | . | . | trans | -78.3 | 93.2 | -170.9 | -60.2 | 169.2 | 0 | 0 | 0 | 108.9 | I394 F641 N648 V658 Y660 D705 | I394-I707 HydrophobicContact CD1-CB 4.27Å; I394-I707 HydrophobicContact CD1-CG1 4.47Å; I394-I707 HydrophobicContact CD1-CG2 3.81Å; F641-I707 HydrophobicContact CE2-CD1 4.07Å; F641-I707 HydrophobicContact CZ-CD1 3.89Å; N648-I707 HydrophobicContact CB-CD1 4.05Å; N648-I707 WeakPolarHBondContact ND2-CD1 3.45Å; V658-I707 HydrophobicContact CB-CG2 4.45Å; V658-I707 HydrophobicContact CG1-CD1 4.11Å; V658-I707 HydrophobicContact CG1-CG1 4.35Å; V658-I707 HydrophobicContact CG1-CG2 3.7Å; Y660-I707 HydrophobicContact CD1-CG2 3.27Å; Y660-I707 HydrophobicContact CD2-CG2 4.13Å; Y660-I707 HydrophobicContact CE1-CG2 3.45Å; Y660-I707 VanDerWaalsContact CE1-CG2 3.45Å; Y660-I707 HydrophobicContact CE2-CG2 4.27Å; Y660-I707 HydrophobicContact CG-CG2 3.63Å; D705-I707 PolarHBondContact O-N 2.95Å | ||
| 708 | Q | 70.2 | Confident | 87.1 | Confident | 55 Ų | 55 | 40.2 Ų | 40.2 | 26% | 0.257 | 20% | 0.196 | S | C | . | . | trans | -135.9 | 158.9 | 178.1 | -61.4 | -174.9 | -1.4 | 0 | 0 | 110.8 | I394 S669 E706 L710 | I394-Q708 WeakPolarHBondContact CG1-O 3.47Å; S669-Q708 PolarHBondContact OG-O 3.39Å; E706-Q708 HydrophobicContact CG-CG 4.41Å; E706-Q708 PolarHBondContact O-N 2.58Å; E706-Q708 PolarHBondContact OE1-NE2 3.45Å; E706-Q708 PolarHBondContact OE2-NE2 2.8Å; Q708-L710 PolarHBondContact OE1-O 2.69Å | ||
| 709 | K | 73.9 | Confident | 87.2 | Confident | 75 Ų | 75 | 39.2 Ų | 39.2 | 33% | 0.326 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -64.6 | -46.7 | 175 | -174 | -173.1 | 174.2 | -166 | 0 | 111.1 | N392 G393 S669 H1141 | N392-K709 PolarHBondContact OD1-O 2.88Å; G393-K709 PolarHBondContact N-O 2.82Å; S669-K709 WeakPolarHBondContact OG-CA 3.24Å; K709-H1141 PolarHBondContact NZ-CD2 3.38Å; K709-H1141 PolarHBondContact NZ-NE2 3.35Å; K709-H1141 PolarHBondContact NZ-O 3.22Å |
| 710 | L | 80.9 | Confident | 87.4 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123.4 | 174.9 | -63.4 | 178.2 | 0 | 0 | 0 | 107.9 | Q10 I390 R391 N392 Q708 L1012 | Q10-L710 HydrophobicContact CB-CD1 4.03Å; I390-L710 HydrophobicContact CG2-CB 4.09Å; I390-L710 HydrophobicContact CG2-CD1 4.02Å; I390-L710 HydrophobicContact CG2-CD2 4.45Å; I390-L710 HydrophobicContact CG2-CG 4.42Å; R391-L710 CarbonylContact O-C 3.6Å; R391-L710 WeakPolarHBondContact O-CA 3.21Å; N392-L710 HydrophobicContact CB-CD2 3.92Å; Q708-L710 PolarHBondContact OE1-O 2.69Å; L710-L1012 HydrophobicContact CD2-CD1 4.3Å |
| 711 | H | 83.9 | Confident | 87.6 | Confident | 45 Ų | 45 | 39.2 Ų | 39.2 | 21% | 0.208 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 129.1 | 171.5 | -178.8 | 82.3 | 0 | 0 | 0 | 109.2 | R391 D705 | R391-H711 PolarHBondContact N-O 2.94Å; R391-H711 PolarHBondContact O-N 2.6Å; D705-H711 IonicContact OD1-CE1 3.9Å; D705-H711 IonicContact OD2-CE1 2.96Å; D705-H711 IonicContact OD2-ND1 2.69Å |
| 712 | I | 87.1 | Confident | 87.7 | Confident | 23 Ų | 23 | 43.5 Ų | 43.5 | 12% | 0.118 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 110.6 | -178.3 | -57.6 | 169.5 | 0 | 0 | 0 | 108.9 | T354 L356 R388 I389 I390 | T354-I712 HydrophobicContact CG2-CB 4.38Å; T354-I712 HydrophobicContact CG2-CD1 4.09Å; T354-I712 HydrophobicContact CG2-CG2 3.89Å; L356-I712 HydrophobicContact CD1-CD1 4.17Å; L356-I712 HydrophobicContact CD2-CD1 4.14Å; L356-I712 HydrophobicContact CD2-CG2 3.79Å; L356-I712 HydrophobicContact CG-CD1 4.35Å; R388-I712 HydrophobicContact CB-CG2 4.16Å; I389-I712 WeakPolarHBondContact O-CA 3.44Å; I390-I712 HydrophobicContact CG1-CG1 4.16Å |
| 713 | R | 84.6 | Confident | 87.9 | Confident | 108 Ų | 108 | 46.7 Ų | 46.7 | 41% | 0.408 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 133.2 | 170.8 | -179.6 | -177.8 | 175.6 | -166.1 | -4 | 109.8 | R388 I389 H797 T798 | R388-R713 CarbonylContact C-O 3.46Å; R388-R713 WeakPolarHBondContact CA-O 3.45Å; I389-R713 HydrophobicContact CB-CB 4.26Å; I389-R713 HydrophobicContact CD1-CB 4.37Å; I389-R713 HydrophobicContact CD1-CG 4.37Å; I389-R713 PolarHBondContact N-O 2.68Å; I389-R713 PolarHBondContact O-N 3.25Å; R713-H797 PolarHBondContact NH1-O 2.87Å; R713-T798 PolarHBondContact NH2-O 3.11Å |
| 714 | T | 88.5 | Confident | 88.3 | Confident | 53 Ų | 53 | 45.4 Ų | 45.4 | 33% | 0.325 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 134.4 | -178.2 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | R388 | R388-T714 WeakPolarHBondContact CD-OG1 3.25Å; R388-T714 PolarHBondContact NH1-OG1 2.89Å |
| 715 | V | 92 | Very high | 88.8 | Confident | 21 Ų | 21 | 45 Ų | 45 | 13% | 0.127 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 103.7 | 172.7 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | S386 L387 I389 F799 | S386-V715 CarbonylContact C-O 3.56Å; S386-V715 VanDerWaalsContact CA-O 3.26Å; S386-V715 WeakPolarHBondContact CA-O 3.41Å; S386-V715 WeakPolarHBondContact CB-O 3.46Å; L387-V715 HydrophobicContact CB-CB 4.24Å; L387-V715 PolarHBondContact N-O 2.79Å; L387-V715 PolarHBondContact O-N 2.88Å; I389-V715 HydrophobicContact CD1-CG2 3.77Å; V715-F799 HydrophobicContact CB-CB 4.44Å; V715-F799 HydrophobicContact CG1-CB 3.99Å; V715-F799 HydrophobicContact CG2-CB 3.67Å; V715-F799 HydrophobicContact CG2-CD1 4.21Å; V715-F799 HydrophobicContact CG2-CD2 4.45Å; V715-F799 HydrophobicContact CG2-CG 3.87Å |
| 716 | P | 94.3 | Very high | 89.5 | Confident | 72 Ų | 72 | 46.5 Ų | 46.5 | 47% | 0.468 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 136.4 | -178.8 | 28.6 | -33.5 | 0 | 0 | 0 | 111.2 | Y718 | P716-Y718 HydrophobicContact CB-CE1 4.47Å; P716-Y718 HydrophobicContact CB-CE2 4.04Å; P716-Y718 HydrophobicContact CG-CE2 4.3Å |
| 717 | L | 96 | Very high | 90.4 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | trans | -108.7 | -24 | 176.6 | -58.9 | 177.2 | 0 | 0 | 0 | 112.6 | G385 L387 E719 P721 A756 | G385-L717 WeakPolarHBondContact O-CA 3.46Å; G385-L717 WeakPolarHBondContact O-CB 3.14Å; G385-L717 PolarHBondContact O-N 2.88Å; L387-L717 HydrophobicContact CD2-CD1 4.14Å; L387-L717 HydrophobicContact CG-CD1 4.02Å; L387-L717 HydrophobicContact CG-CD2 4.45Å; L387-L717 HydrophobicContact CG-CG 4.43Å; L717-E719 HydrophobicContact CB-CG 4.31Å; L717-E719 PolarHBondContact O-N 2.94Å; L717-E719 VanDerWaalsContact O-N 3.17Å; L717-P721 HydrophobicContact CD1-CB 3.85Å; L717-P721 HydrophobicContact CD1-CG 4.2Å; L717-A756 HydrophobicContact CB-CB 3.99Å; L717-A756 HydrophobicContact CD2-CB 3.8Å; L717-A756 HydrophobicContact CG-CB 4.49Å; L717-A756 WeakPolarHBondContact O-CB 3.49Å; L717-A756 PolarHBondContact O-N 2.95Å | ||
| 718 | Y | 96.7 | Very high | 91 | Very high | 120 Ų | 120 | 44.3 Ų | 44.3 | 47% | 0.471 | 20% | 0.203 | S | C | . | . | S | Bend | trans | 59.9 | 16 | -174.3 | -52.5 | -76.5 | 0 | 0 | 0 | 114.9 | F382 K383 G385 P716 | F382-Y718 CarbonylContact O-C 3.42Å; K383-Y718 WeakPolarHBondContact O-CA 3.27Å; G385-Y718 PolarHBondContact O-N 3.34Å; P716-Y718 HydrophobicContact CB-CE1 4.47Å; P716-Y718 HydrophobicContact CB-CE2 4.04Å; P716-Y718 HydrophobicContact CG-CE2 4.3Å |
| 719 | E | 96.6 | Very high | 92 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -150.4 | 157.4 | 175 | 66.3 | -172.4 | -172 | 0 | 0 | 109.6 | F382 G385 L717 P721 S737 R739 S755 A756 S757 | F382-E719 CarbonylContact O-C 3.57Å; F382-E719 VanDerWaalsContact O-C 3.23Å; F382-E719 WeakPolarHBondContact O-CA 3.33Å; F382-E719 PolarHBondContact O-N 2.89Å; G385-E719 VanDerWaalsContact CA-O 3.32Å; G385-E719 WeakPolarHBondContact CA-O 3.36Å; L717-E719 HydrophobicContact CB-CG 4.31Å; L717-E719 PolarHBondContact O-N 2.94Å; L717-E719 VanDerWaalsContact O-N 3.17Å; E719-P721 VanDerWaalsContact O-CD 3.23Å; E719-P721 WeakPolarHBondContact O-CD 3.45Å; E719-S737 WeakPolarHBondContact OE1-CB 3.34Å; E719-S737 PolarHBondContact OE1-OG 2.92Å; E719-R739 HydrophobicContact CB-CB 3.95Å; E719-S755 VanDerWaalsContact OE2-CB 3.23Å; E719-S755 WeakPolarHBondContact OE2-CB 3.19Å; E719-S755 PolarHBondContact OE2-OG 3.03Å; E719-A756 HydrophobicContact CG-CB 4.46Å; E719-S757 VanDerWaalsContact OE1-CB 3.24Å; E719-S757 WeakPolarHBondContact OE1-CB 3.49Å; E719-S757 PolarHBondContact OE1-N 3.17Å; E719-S757 PolarHBondContact OE1-OG 3.43Å; E719-S757 WeakPolarHBondContact OE2-CB 3.37Å; E719-S757 PolarHBondContact OE2-OG 3.04Å |
| 720 | S | 97.8 | Very high | 92.7 | Very high | 10 Ų | 10 | 44 Ų | 44 | 7% | 0.07 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 116.3 | -171.5 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | F382 S737 S738 | F382-S720 WeakPolarHBondContact CA-OG 3.23Å; F382-S720 PolarHBondContact N-OG 2.83Å; S720-S737 CarbonylContact O-C 3.52Å; S720-S737 VanDerWaalsContact O-CA 3.26Å; S720-S737 WeakPolarHBondContact O-CA 3.34Å; S720-S738 PolarHBondContact N-O 2.85Å; S720-S738 PolarHBondContact O-N 2.65Å |
| 721 | P | 97.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.013 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 140.8 | 168.5 | 33.9 | -34.5 | 0 | 0 | 0 | 110.7 | C378 S379 L387 L717 E719 V735 | C378-P721 HydrophobicContact CB-CB 3.73Å; C378-P721 HydrophobicContact CB-CG 3.93Å; S379-P721 WeakPolarHBondContact O-CG 3.28Å; L387-P721 HydrophobicContact CD2-CB 4.5Å; L717-P721 HydrophobicContact CD1-CB 3.85Å; L717-P721 HydrophobicContact CD1-CG 4.2Å; E719-P721 VanDerWaalsContact O-CD 3.23Å; E719-P721 WeakPolarHBondContact O-CD 3.45Å; P721-V735 HydrophobicContact CB-CG1 4.28Å |
| 722 | R | 96.8 | Very high | 93.3 | Very high | 91 Ų | 91 | 45.1 Ų | 45.1 | 34% | 0.343 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | -46.3 | -174.9 | -65.3 | -73.9 | -168.5 | 165.8 | 3.7 | 113.1 | V360 L736 E787 | V360-R722 WeakPolarHBondContact CG1-O 3.11Å; R722-L736 HydrophobicContact CB-CB 4.3Å; R722-L736 PolarHBondContact N-O 2.67Å; R722-E787 IonicContact NH2-OE1 3.73Å; R722-E787 PolarHBondContact NH2-OE1 3.09Å; R722-E787 IonicContact NH2-OE2 2.97Å; R722-E787 PolarHBondContact NH2-OE2 3.32Å |
| 723 | R | 97.9 | Very high | 93.7 | Very high | 67 Ų | 67 | 44 Ų | 44 | 25% | 0.253 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 151.5 | -177.8 | -62.6 | -68 | -169.6 | 178.2 | -3.8 | 111.8 | D361 V735 L736 L814 I816 | D361-R723 IonicContact OD1-NH1 3.64Å; D361-R723 WeakPolarHBondContact OD2-CA 3.48Å; D361-R723 WeakPolarHBondContact OD2-CB 3.31Å; D361-R723 WeakPolarHBondContact OD2-CD 3.29Å; R723-V735 CarbonylContact O-C 3.52Å; R723-V735 WeakPolarHBondContact O-CA 3.33Å; R723-L736 HydrophobicContact CB-CB 4.17Å; R723-L736 HydrophobicContact CB-CD1 3.95Å; R723-L736 HydrophobicContact CB-CG 4.14Å; R723-L736 HydrophobicContact CG-CD1 4.07Å; R723-L736 PolarHBondContact O-N 2.94Å; R723-L814 VanDerWaalsContact CG-O 3.3Å; R723-L814 WeakPolarHBondContact CG-O 3.44Å; R723-L814 PolarHBondContact NE-O 3.49Å; R723-I816 HydrophobicContact CB-CG2 3.58Å |
| 724 | I | 97.9 | Very high | 94.3 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 5% | 0.046 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 140 | 178.9 | -173 | 165.3 | 0 | 0 | 0 | 112.2 | D361 C363 V376 L387 F733 G734 V735 | D361-I724 HydrophobicContact CB-CG2 4.32Å; D361-I724 PolarHBondContact OD2-N 2.78Å; C363-I724 HydrophobicContact CB-CG2 4.48Å; V376-I724 HydrophobicContact CB-CD1 4.04Å; V376-I724 HydrophobicContact CG1-CD1 3.49Å; V376-I724 VanDerWaalsContact CG1-CD1 3.49Å; L387-I724 HydrophobicContact CD2-CD1 4.42Å; I724-F733 HydrophobicContact CD1-CD1 4.08Å; I724-F733 HydrophobicContact CG1-CD1 4.3Å; I724-G734 WeakPolarHBondContact CA-O 3.48Å; I724-V735 HydrophobicContact CD1-CG2 4.13Å; I724-V735 HydrophobicContact CG1-CG2 4.07Å |
| 725 | C | 97.3 | Very high | 94.8 | Very high | 15 Ų | 15 | 36.4 Ų | 36.4 | 10% | 0.101 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 153.9 | 165.5 | 68.7 | 0 | 0 | 0 | 0 | 111.1 | F733 G734 I816 F829 | C725-F733 WeakPolarHBondContact O-CA 3.38Å; C725-G734 PolarHBondContact N-O 2.82Å; C725-G734 PolarHBondContact O-N 3.41Å; C725-I816 HydrophobicContact CB-CG2 4.34Å; C725-F829 VanDerWaalsContact SG-CE1 3.59Å |
| 726 | Y | 96.5 | Very high | 95.1 | Very high | 52 Ų | 52 | 35.4 Ų | 35.4 | 20% | 0.204 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 138 | 178.7 | 176.9 | -121.6 | 0 | 0 | 0 | 110.8 | V365 L367 E728 F733 Q796 S818 | V365-Y726 HydrophobicContact CB-CD1 4.46Å; V365-Y726 HydrophobicContact CG1-CD1 3.62Å; V365-Y726 HydrophobicContact CG1-CD2 4.22Å; V365-Y726 HydrophobicContact CG1-CE1 4.33Å; V365-Y726 HydrophobicContact CG1-CG 3.55Å; L367-Y726 HydrophobicContact CD2-CE2 4.16Å; Y726-E728 HydrophobicContact CD1-CB 4.41Å; Y726-E728 HydrophobicContact CE1-CB 3.75Å; Y726-E728 HydrophobicContact CE1-CG 4.1Å; Y726-F733 AromaticContact CD2-CD1 3.83Å; Y726-F733 HydrophobicContact CD2-CD1 3.83Å; Y726-F733 AromaticContact CD2-CE1 3.57Å; Y726-F733 HydrophobicContact CD2-CE1 3.57Å; Y726-F733 HydrophobicContact CD2-CE2 4.47Å; Y726-F733 HydrophobicContact CD2-CG 4.39Å; Y726-F733 AromaticContact CD2-CZ 3.92Å; Y726-F733 HydrophobicContact CD2-CZ 3.92Å; Y726-F733 HydrophobicContact CE2-CE1 4.46Å; Y726-F733 HydrophobicContact CE2-CZ 4.39Å; Y726-F733 HydrophobicContact CG-CD1 4.37Å; Y726-F733 HydrophobicContact CG-CE1 4.05Å; Y726-Q796 PolarHBondContact OH-OE1 2.91Å; Y726-Q796 VanDerWaalsContact OH-OE1 3.05Å; Y726-S818 WeakPolarHBondContact O-CB 3.41Å; Y726-S818 PolarHBondContact O-OG 3.13Å |
| 727 | Q | 94.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 96 | 174.6 | -174 | 167.2 | 82.7 | 0 | 0 | 110.2 | V729 S730 Q731 C732 S818 V827 F829 | Q727-V729 VanDerWaalsContact C-N 3.35Å; Q727-V729 HydrophobicContact CG-CG2 3.87Å; Q727-V729 PolarHBondContact O-N 2.98Å; Q727-S730 PolarHBondContact O-N 2.85Å; Q727-S730 PolarHBondContact OE1-OG 2.81Å; Q727-Q731 PolarHBondContact O-N 3.33Å; Q727-C732 PolarHBondContact N-O 3.09Å; Q727-C732 PolarHBondContact O-N 2.78Å; Q727-S818 WeakPolarHBondContact CB-OG 3.44Å; Q727-S818 PolarHBondContact NE2-OG 2.89Å; Q727-V827 HydrophobicContact CG-CG1 4.09Å; Q727-F829 HydrophobicContact CB-CE1 3.88Å; Q727-F829 HydrophobicContact CB-CE2 4.24Å; Q727-F829 HydrophobicContact CB-CZ 3.48Å; Q727-F829 VanDerWaalsContact CB-CZ 3.48Å; Q727-F829 HydrophobicContact CG-CZ 4.24Å; Q727-F829 VanDerWaalsContact OE1-CE2 3.25Å |
| 728 | E | 89.3 | Confident | 95.3 | Very high | 100 Ų | 100 | 31.8 Ų | 31.8 | 47% | 0.467 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -58.7 | -41.4 | -175.3 | -169.7 | -176.9 | -173.6 | 0 | 0 | 112.9 | R369 Y726 S730 Q731 | R369-E728 IonicContact CZ-OE1 2.94Å; R369-E728 IonicContact NE-OE1 3.7Å; R369-E728 IonicContact NH2-OE1 3Å; R369-E728 PolarHBondContact NH2-OE1 2.9Å; Y726-E728 HydrophobicContact CD1-CB 4.41Å; Y726-E728 HydrophobicContact CE1-CB 3.75Å; Y726-E728 HydrophobicContact CE1-CG 4.1Å; E728-S730 PolarHBondContact O-N 3.27Å; E728-Q731 PolarHBondContact O-N 2.86Å; E728-Q731 PolarHBondContact O-NE2 2.94Å |
| 729 | V | 90.6 | Very high | 95.3 | Very high | 86 Ų | 86 | 27 Ų | 27 | 52% | 0.521 | 13% | 0.13 | S | C | . | . | G | 310 helix | trans | -64.4 | -31 | -177.6 | -64.4 | 0 | 0 | 0 | 0 | 113.5 | Q727 V827 | Q727-V729 VanDerWaalsContact C-N 3.35Å; Q727-V729 HydrophobicContact CG-CG2 3.87Å; Q727-V729 PolarHBondContact O-N 2.98Å; V729-V827 HydrophobicContact CB-CG2 4.37Å; V729-V827 HydrophobicContact CG1-CG2 3.87Å; V729-V827 HydrophobicContact CG2-CB 3.71Å; V729-V827 HydrophobicContact CG2-CG1 4.3Å; V729-V827 HydrophobicContact CG2-CG2 3.57Å |
| 730 | S | 88.8 | Confident | 95 | Very high | 39 Ų | 39 | 28.5 Ų | 28.5 | 27% | 0.273 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -97.4 | -4.9 | -177.7 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | Q727 E728 C732 | Q727-S730 PolarHBondContact O-N 2.85Å; Q727-S730 PolarHBondContact OE1-OG 2.81Å; E728-S730 PolarHBondContact O-N 3.27Å; S730-C732 WeakPolarHBondContact CB-SG 3.46Å; S730-C732 PolarHBondContact O-N 3.49Å |
| 731 | Q | 84.9 | Confident | 94.6 | Very high | 72 Ų | 72 | 28.8 Ų | 28.8 | 34% | 0.336 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 40 | -178.9 | -61.7 | -70.7 | -82 | 0 | 0 | 111.6 | Q727 E728 Q796 | Q727-Q731 PolarHBondContact O-N 3.33Å; E728-Q731 PolarHBondContact O-N 2.86Å; E728-Q731 PolarHBondContact O-NE2 2.94Å; Q731-Q796 HydrophobicContact CB-CG 4.24Å; Q731-Q796 VanDerWaalsContact CD-NE2 3.29Å; Q731-Q796 VanDerWaalsContact O-CB 3.26Å; Q731-Q796 WeakPolarHBondContact O-CB 3.11Å; Q731-Q796 WeakPolarHBondContact O-CG 3.25Å; Q731-Q796 PolarHBondContact O-N 2.57Å |
| 732 | C | 92.8 | Very high | 94 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.007 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 161.7 | -176.4 | 71 | 0 | 0 | 0 | 0 | 111.8 | Q727 S730 V793 V794 | Q727-C732 PolarHBondContact N-O 3.09Å; Q727-C732 PolarHBondContact O-N 2.78Å; S730-C732 WeakPolarHBondContact CB-SG 3.46Å; S730-C732 PolarHBondContact O-N 3.49Å; C732-V793 HydrophobicContact CB-CG1 3.93Å; C732-V794 CarbonylContact C-O 3.52Å; C732-V794 VanDerWaalsContact CA-O 3.27Å; C732-V794 WeakPolarHBondContact CA-O 3.23Å; C732-V794 VanDerWaalsContact CB-O 3.3Å; C732-V794 WeakPolarHBondContact CB-O 3.37Å |
| 733 | F | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 142.3 | 172.1 | -63 | -83.8 | 0 | 0 | 0 | 111 | V365 L367 V376 I724 C725 Y726 V735 V793 V794 Q796 F799 | V365-F733 HydrophobicContact CG1-CE1 4.02Å; V365-F733 HydrophobicContact CG2-CE1 4.27Å; V365-F733 HydrophobicContact CG2-CZ 4.12Å; L367-F733 HydrophobicContact CD2-CZ 4.17Å; V376-F733 HydrophobicContact CB-CE1 4.36Å; V376-F733 HydrophobicContact CG2-CE1 4Å; V376-F733 HydrophobicContact CG2-CZ 3.83Å; I724-F733 HydrophobicContact CD1-CD1 4.08Å; I724-F733 HydrophobicContact CG1-CD1 4.3Å; C725-F733 WeakPolarHBondContact O-CA 3.38Å; Y726-F733 AromaticContact CD2-CD1 3.83Å; Y726-F733 HydrophobicContact CD2-CD1 3.83Å; Y726-F733 AromaticContact CD2-CE1 3.57Å; Y726-F733 HydrophobicContact CD2-CE1 3.57Å; Y726-F733 HydrophobicContact CD2-CE2 4.47Å; Y726-F733 HydrophobicContact CD2-CG 4.39Å; Y726-F733 AromaticContact CD2-CZ 3.92Å; Y726-F733 HydrophobicContact CD2-CZ 3.92Å; Y726-F733 HydrophobicContact CE2-CE1 4.46Å; Y726-F733 HydrophobicContact CE2-CZ 4.39Å; Y726-F733 HydrophobicContact CG-CD1 4.37Å; Y726-F733 HydrophobicContact CG-CE1 4.05Å; F733-V735 HydrophobicContact CB-CG2 4.38Å; F733-V793 WeakPolarHBondContact O-CA 3.42Å; F733-V794 HydrophobicContact CB-CB 4.35Å; F733-V794 PolarHBondContact N-O 2.87Å; F733-V794 PolarHBondContact O-N 3.4Å; F733-Q796 HydrophobicContact CD2-CB 4.36Å; F733-Q796 HydrophobicContact CE2-CB 3.87Å; F733-F799 HydrophobicContact CD2-CE1 4.18Å; F733-F799 AromaticContact CE2-CE1 3.78Å; F733-F799 HydrophobicContact CE2-CE1 3.78Å; F733-F799 HydrophobicContact CE2-CZ 4.2Å |
| 734 | G | 97.8 | Very high | 92 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 120.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | I724 C725 L792 | I724-G734 WeakPolarHBondContact CA-O 3.48Å; C725-G734 PolarHBondContact N-O 2.82Å; C725-G734 PolarHBondContact O-N 3.41Å; G734-L792 WeakPolarHBondContact CA-O 3.35Å |
| 735 | V | 98.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 125.7 | -177.4 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | L387 P721 R723 I724 F733 L792 V794 | L387-V735 HydrophobicContact CD1-CG2 4.14Å; L387-V735 HydrophobicContact CD2-CG1 4.24Å; L387-V735 HydrophobicContact CD2-CG2 4.31Å; P721-V735 HydrophobicContact CB-CG1 4.28Å; R723-V735 CarbonylContact O-C 3.52Å; R723-V735 WeakPolarHBondContact O-CA 3.33Å; I724-V735 HydrophobicContact CD1-CG2 4.13Å; I724-V735 HydrophobicContact CG1-CG2 4.07Å; F733-V735 HydrophobicContact CB-CG2 4.38Å; V735-L792 HydrophobicContact CB-CB 4.28Å; V735-L792 PolarHBondContact N-O 3.34Å; V735-L792 PolarHBondContact O-N 3.26Å; V735-V794 HydrophobicContact CG2-CG2 4.25Å |
| 736 | L | 98.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 133.2 | 168.7 | -61.9 | -175.6 | 0 | 0 | 0 | 109.4 | R722 R723 L791 F807 I816 V831 | R722-L736 HydrophobicContact CB-CB 4.3Å; R722-L736 PolarHBondContact N-O 2.67Å; R723-L736 HydrophobicContact CB-CB 4.17Å; R723-L736 HydrophobicContact CB-CD1 3.95Å; R723-L736 HydrophobicContact CB-CG 4.14Å; R723-L736 HydrophobicContact CG-CD1 4.07Å; R723-L736 PolarHBondContact O-N 2.94Å; L736-L791 HydrophobicContact CD2-CB 4.17Å; L736-L791 HydrophobicContact CD2-CD1 3.97Å; L736-F807 HydrophobicContact CD2-CE2 4.29Å; L736-F807 HydrophobicContact CD2-CZ 4.44Å; L736-I816 HydrophobicContact CD1-CB 3.96Å; L736-I816 HydrophobicContact CD1-CG2 4.36Å; L736-I816 HydrophobicContact CD2-CD1 4.21Å; L736-I816 HydrophobicContact CG-CB 4.07Å; L736-I816 HydrophobicContact CG-CD1 4.3Å; L736-I816 HydrophobicContact CG-CG2 4.3Å; L736-V831 HydrophobicContact CD1-CG1 4.26Å; L736-V831 HydrophobicContact CD2-CG1 3.91Å; L736-V831 HydrophobicContact CD2-CG2 4.15Å |
| 737 | S | 97.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 155.6 | -176.6 | 58.3 | 0 | 0 | 0 | 0 | 111.3 | E719 S720 H789 S790 | E719-S737 WeakPolarHBondContact OE1-CB 3.34Å; E719-S737 PolarHBondContact OE1-OG 2.92Å; S720-S737 CarbonylContact O-C 3.52Å; S720-S737 VanDerWaalsContact O-CA 3.26Å; S720-S737 WeakPolarHBondContact O-CA 3.34Å; S737-H789 CarbonylContact O-C 3.51Å; S737-H789 VanDerWaalsContact O-CA 3.28Å; S737-H789 WeakPolarHBondContact O-CA 3.46Å; S737-S790 PolarHBondContact N-O 2.77Å; S737-S790 PolarHBondContact O-N 3.25Å; S737-S790 PolarHBondContact OG-O 2.83Å |
| 738 | S | 96.8 | Very high | 86.6 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 133.5 | 166.5 | 70.1 | 0 | 0 | 0 | 0 | 112.1 | S720 E787 V788 | S720-S738 PolarHBondContact N-O 2.85Å; S720-S738 PolarHBondContact O-N 2.65Å; S738-E787 WeakPolarHBondContact CB-OE2 3.32Å; S738-E787 PolarHBondContact OG-OE2 2.81Å; S738-V788 WeakPolarHBondContact CA-O 3.49Å |
| 739 | R | 95.3 | Very high | 86.2 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 8% | 0.075 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 154.8 | 171.9 | 67.9 | 177.1 | -176 | -86.1 | -3.9 | 110.3 | E719 E741 S757 E787 V788 | E719-R739 HydrophobicContact CB-CB 3.95Å; R739-E741 IonicContact CZ-OE1 2.69Å; R739-E741 VanDerWaalsContact CZ-OE1 3.23Å; R739-E741 IonicContact NE-OE1 4Å; R739-E741 PolarHBondContact NE-OE1 2.75Å; R739-E741 IonicContact NH2-OE1 3.77Å; R739-E741 PolarHBondContact NH2-OE1 3.35Å; R739-S757 PolarHBondContact NH1-OG 3.25Å; R739-E787 CarbonylContact O-C 3.5Å; R739-E787 WeakPolarHBondContact O-CA 3.39Å; R739-V788 HydrophobicContact CG-CB 4.07Å; R739-V788 PolarHBondContact N-O 2.98Å; R739-V788 PolarHBondContact O-N 2.8Å |
| 740 | V | 91.3 | Very high | 85.8 | Confident | 32 Ų | 32 | 37.4 Ų | 37.4 | 19% | 0.194 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 130.5 | 174.7 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | F382 E785 | F382-V740 HydrophobicContact CD1-CG2 4.22Å; V740-E785 HydrophobicContact CG1-CB 3.74Å; V740-E785 HydrophobicContact CG1-CG 3.86Å |
| 741 | E | 90.3 | Very high | 85.6 | Confident | 16 Ų | 16 | 37.7 Ų | 37.7 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 145.9 | 171.4 | -59.5 | -170.6 | 173.3 | 0 | 0 | 109.7 | R739 T749 S750 A751 V786 V788 | R739-E741 IonicContact CZ-OE1 2.69Å; R739-E741 VanDerWaalsContact CZ-OE1 3.23Å; R739-E741 IonicContact NE-OE1 4Å; R739-E741 PolarHBondContact NE-OE1 2.75Å; R739-E741 IonicContact NH2-OE1 3.77Å; R739-E741 PolarHBondContact NH2-OE1 3.35Å; E741-T749 WeakPolarHBondContact OE2-CB 3.25Å; E741-T749 PolarHBondContact OE2-OG1 3.36Å; E741-S750 CarbonylContact C-O 3.58Å; E741-S750 VanDerWaalsContact CA-O 3.27Å; E741-S750 WeakPolarHBondContact CA-O 3.31Å; E741-S750 WeakPolarHBondContact CB-O 3.45Å; E741-A751 HydrophobicContact CG-CB 4.42Å; E741-V786 PolarHBondContact N-O 2.69Å; E741-V786 PolarHBondContact O-N 3.38Å; E741-V788 HydrophobicContact CB-CG2 4.5Å; E741-V788 HydrophobicContact CG-CG2 3.9Å |
| 742 | I | 85 | Confident | 85.5 | Confident | 52 Ų | 52 | 36.7 Ų | 36.7 | 27% | 0.267 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 137.5 | 177.3 | -61.4 | 172.1 | 0 | 0 | 0 | 108.5 | T749 S750 V752 | I742-T749 WeakPolarHBondContact O-CA 3.44Å; I742-S750 PolarHBondContact N-O 2.91Å; I742-S750 PolarHBondContact O-N 2.94Å; I742-V752 HydrophobicContact CD1-CG2 3.76Å; I742-V752 HydrophobicContact CG1-CG2 3.83Å |
| 743 | Q | 80.3 | Confident | 85.3 | Confident | 23 Ų | 23 | 39.6 Ų | 39.6 | 11% | 0.107 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 124.6 | 178.6 | -159.2 | 178.4 | 36 | 0 | 0 | 112.8 | G747 T749 T780 G783 E784 | Q743-G747 PolarHBondContact NE2-O 2.9Å; Q743-T749 HydrophobicContact CB-CG2 4.32Å; Q743-T749 HydrophobicContact CG-CG2 4.25Å; Q743-T780 PolarHBondContact NE2-OG1 2.88Å; Q743-T780 VanDerWaalsContact NE2-OG1 3.15Å; Q743-T780 PolarHBondContact OE1-OG1 2.61Å; Q743-G783 PolarHBondContact O-N 3.25Å; Q743-E784 PolarHBondContact N-O 2.91Å |
| 744 | D | 71.3 | Confident | 85.2 | Confident | 69 Ų | 69 | 43.5 Ų | 43.5 | 37% | 0.369 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 166.8 | 176 | -71.2 | -32.8 | 0 | 0 | 0 | 112.7 | S746 G747 T748 | D744-S746 PolarHBondContact O-N 3Å; D744-G747 PolarHBondContact O-N 2.94Å; D744-T748 WeakPolarHBondContact CB-O 3.48Å; D744-T748 PolarHBondContact N-O 3.44Å |
| 745 | V | 69.5 | Low | 85.1 | Confident | 129 Ų | 129 | 43.6 Ų | 43.6 | 78% | 0.782 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -25.4 | 176.1 | -166.3 | 0 | 0 | 0 | 0 | 112.2 | G747 F782 | V745-G747 VanDerWaalsContact C-N 3.28Å; V745-G747 PolarHBondContact O-N 3.15Å; V745-F782 HydrophobicContact CB-CD2 4.23Å; V745-F782 HydrophobicContact CB-CE2 4.16Å; V745-F782 HydrophobicContact CG2-CD2 3.67Å; V745-F782 HydrophobicContact CG2-CE2 3.2Å; V745-F782 HydrophobicContact CG2-CZ 3.8Å |
| 746 | S | 66.9 | Low | 84.9 | Confident | 95 Ų | 95 | 44 Ų | 44 | 66% | 0.664 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -2.1 | 176.5 | 43.9 | 0 | 0 | 0 | 0 | 114.5 | D744 T748 | D744-S746 PolarHBondContact O-N 3Å; S746-T748 PolarHBondContact O-N 3.21Å; S746-T748 PolarHBondContact OG-OG1 3.02Å |
| 747 | G | 65 | Low | 84.7 | Confident | 46 Ų | 46 | 44.4 Ų | 44.4 | 47% | 0.474 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 77.8 | 0.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q743 D744 V745 | Q743-G747 PolarHBondContact NE2-O 2.9Å; D744-G747 PolarHBondContact O-N 2.94Å; V745-G747 VanDerWaalsContact C-N 3.28Å; V745-G747 PolarHBondContact O-N 3.15Å |
| 748 | T | 72.4 | Confident | 84.6 | Confident | 80 Ų | 80 | 47.8 Ų | 47.8 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | trans | -83.7 | 138.8 | 171.2 | 42 | 0 | 0 | 0 | 0 | 110.3 | D744 S746 | D744-T748 WeakPolarHBondContact CB-O 3.48Å; D744-T748 PolarHBondContact N-O 3.44Å; S746-T748 PolarHBondContact O-N 3.21Å; S746-T748 PolarHBondContact OG-OG1 3.02Å | ||
| 749 | T | 79.9 | Confident | 84.4 | Confident | 60 Ų | 60 | 53.7 Ų | 53.7 | 37% | 0.368 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 141.8 | 172.7 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | E741 I742 Q743 V786 | E741-T749 WeakPolarHBondContact OE2-CB 3.25Å; E741-T749 PolarHBondContact OE2-OG1 3.36Å; I742-T749 WeakPolarHBondContact O-CA 3.44Å; Q743-T749 HydrophobicContact CB-CG2 4.32Å; Q743-T749 HydrophobicContact CG-CG2 4.25Å; T749-V786 HydrophobicContact CG2-CB 4.46Å; T749-V786 HydrophobicContact CG2-CG2 4.34Å |
| 750 | S | 82.9 | Confident | 84.3 | Confident | 49 Ų | 49 | 53.6 Ų | 53.6 | 34% | 0.343 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 138 | 175.5 | 65.7 | 0 | 0 | 0 | 0 | 110.3 | E741 I742 | E741-S750 CarbonylContact C-O 3.58Å; E741-S750 VanDerWaalsContact CA-O 3.27Å; E741-S750 WeakPolarHBondContact CA-O 3.31Å; E741-S750 WeakPolarHBondContact CB-O 3.45Å; I742-S750 PolarHBondContact N-O 2.91Å; I742-S750 PolarHBondContact O-N 2.94Å |
| 751 | A | 84.1 | Confident | 84.4 | Confident | 46 Ų | 46 | 58 Ų | 58 | 38% | 0.38 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 134.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | E741 R753 | E741-A751 HydrophobicContact CG-CB 4.42Å; A751-R753 VanDerWaalsContact C-N 3.29Å; A751-R753 PolarHBondContact O-N 3.07Å |
| 752 | V | 83.1 | Confident | 84.5 | Confident | 51 Ų | 51 | 58.7 Ų | 58.7 | 31% | 0.309 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -65.2 | -35.6 | 178.9 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | I742 | I742-V752 HydrophobicContact CD1-CG2 3.76Å; I742-V752 HydrophobicContact CG1-CG2 3.83Å |
| 753 | R | 89.3 | Confident | 85 | Confident | 62 Ų | 62 | 60.7 Ų | 60.7 | 23% | 0.234 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -152.3 | 159.8 | -178.7 | 64.8 | -175.7 | 69.1 | 76.2 | -0.3 | 111.5 | A751 | A751-R753 VanDerWaalsContact C-N 3.29Å; A751-R753 PolarHBondContact O-N 3.07Å |
| 754 | P | 93.5 | Very high | 85.6 | Confident | 81 Ų | 81 | 61.3 Ų | 61.3 | 53% | 0.526 | 38% | 0.382 | S | S | . | . | trans | -63.1 | 135.1 | 167.1 | -19 | 32.6 | 0 | 0 | 0 | 111 | Q759 | P754-Q759 HydrophobicContact CB-CG 4.29Š| ||
| 755 | S | 95.3 | Very high | 86.7 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.014 | 39% | 0.394 | C | S | . | . | trans | -138.2 | 172.8 | 179 | 67.7 | 0 | 0 | 0 | 0 | 112.1 | E719 S757 T758 Q759 | E719-S755 VanDerWaalsContact OE2-CB 3.23Å; E719-S755 WeakPolarHBondContact OE2-CB 3.19Å; E719-S755 PolarHBondContact OE2-OG 3.03Å; S755-S757 VanDerWaalsContact C-N 3.31Å; S755-S757 PolarHBondContact O-N 3.33Å; S755-S757 PolarHBondContact OG-OG 3.38Å; S755-T758 PolarHBondContact N-OG1 3.39Å; S755-T758 PolarHBondContact O-N 2.92Å; S755-T758 PolarHBondContact O-OG1 3.37Å; S755-Q759 PolarHBondContact O-N 3.02Å; S755-Q759 VanDerWaalsContact O-N 3.08Å | ||
| 756 | A | 94.5 | Very high | 87.7 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 7% | 0.066 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -50.8 | -46.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L717 E719 T758 Q759 A760 L792 V801 | L717-A756 HydrophobicContact CB-CB 3.99Å; L717-A756 HydrophobicContact CD2-CB 3.8Å; L717-A756 HydrophobicContact CG-CB 4.49Å; L717-A756 WeakPolarHBondContact O-CB 3.49Å; L717-A756 PolarHBondContact O-N 2.95Å; E719-A756 HydrophobicContact CG-CB 4.46Å; A756-T758 VanDerWaalsContact C-N 3.27Å; A756-T758 PolarHBondContact O-N 2.92Å; A756-Q759 PolarHBondContact O-N 3.44Å; A756-A760 PolarHBondContact O-N 2.86Å; A756-L792 HydrophobicContact CB-CD1 3.88Å; A756-V801 HydrophobicContact CB-CG2 4.06Å |
| 757 | S | 94.8 | Very high | 88.7 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 7% | 0.07 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.8 | -28.6 | 177.1 | 63.7 | 0 | 0 | 0 | 0 | 114.4 | E719 R739 S755 A804 | E719-S757 VanDerWaalsContact OE1-CB 3.24Å; E719-S757 WeakPolarHBondContact OE1-CB 3.49Å; E719-S757 PolarHBondContact OE1-N 3.17Å; E719-S757 PolarHBondContact OE1-OG 3.43Å; E719-S757 WeakPolarHBondContact OE2-CB 3.37Å; E719-S757 PolarHBondContact OE2-OG 3.04Å; R739-S757 PolarHBondContact NH1-OG 3.25Å; S755-S757 VanDerWaalsContact C-N 3.31Å; S755-S757 PolarHBondContact O-N 3.33Å; S755-S757 PolarHBondContact OG-OG 3.38Å; S757-A804 WeakPolarHBondContact O-CB 3.21Å |
| 758 | T | 94.4 | Very high | 89.7 | Confident | 70 Ų | 70 | 57.4 Ų | 57.4 | 43% | 0.429 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -89.2 | -19.6 | -179.3 | 66.3 | 0 | 0 | 0 | 0 | 113.9 | S755 A756 | S755-T758 PolarHBondContact N-OG1 3.39Å; S755-T758 PolarHBondContact O-N 2.92Å; S755-T758 PolarHBondContact O-OG1 3.37Å; A756-T758 VanDerWaalsContact C-N 3.27Å; A756-T758 PolarHBondContact O-N 2.92Å |
| 759 | Q | 93.8 | Very high | 90.2 | Very high | 126 Ų | 126 | 62.7 Ų | 62.7 | 59% | 0.589 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -106.3 | 5.5 | -174 | -67.2 | -176.5 | -21.1 | 0 | 0 | 114.1 | P754 S755 A756 | P754-Q759 HydrophobicContact CB-CG 4.29Å; S755-Q759 PolarHBondContact O-N 3.02Å; S755-Q759 VanDerWaalsContact O-N 3.08Å; A756-Q759 PolarHBondContact O-N 3.44Å |
| 760 | A | 93.2 | Very high | 90.2 | Very high | 18 Ų | 18 | 63 Ų | 63 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | trans | -61.6 | 149.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A756 S762 V801 A804 | A756-A760 PolarHBondContact O-N 2.86Å; A760-S762 PolarHBondContact O-N 2.83Å; A760-V801 HydrophobicContact CB-CB 4.22Å; A760-V801 HydrophobicContact CB-CG1 3.59Å; A760-A804 HydrophobicContact CB-CB 3.56Å | ||
| 761 | L | 91.9 | Very high | 90.1 | Very high | 126 Ų | 126 | 62 Ų | 62 | 66% | 0.66 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -60.3 | -34.3 | 178 | -64.7 | 178.1 | 0 | 0 | 0 | 112.9 | V801 L802 | L761-V801 PolarHBondContact N-O 3.09Å; L761-V801 VanDerWaalsContact N-O 3.12Å; L761-L802 HydrophobicContact CD1-CD2 4.16Å |
| 762 | S | 93.5 | Very high | 89 | Confident | 29 Ų | 29 | 64 Ų | 64 | 20% | 0.203 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 144.3 | 174.9 | 61.7 | 0 | 0 | 0 | 0 | 110.5 | A760 L802 H803 A804 G856 | A760-S762 PolarHBondContact O-N 2.83Å; S762-L802 PolarHBondContact N-O 3.32Å; S762-L802 PolarHBondContact OG-O 3.41Å; S762-H803 CarbonylContact O-C 3.49Å; S762-H803 VanDerWaalsContact O-CA 3.24Å; S762-H803 WeakPolarHBondContact O-CA 3.48Å; S762-H803 PolarHBondContact OG-ND1 2.99Å; S762-A804 PolarHBondContact O-N 3.26Å; S762-G856 PolarHBondContact OG-O 3.18Å |
| 763 | S | 94.4 | Very high | 87.6 | Confident | 95 Ų | 95 | 67.4 Ų | 67.4 | 66% | 0.664 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 152.5 | -179.6 | 59.9 | 0 | 0 | 0 | 0 | 112 | A804 | S763-A804 CarbonylContact C-O 3.59Å; S763-A804 WeakPolarHBondContact CA-O 3.31Å |
| 764 | S | 94.4 | Very high | 85.5 | Confident | 35 Ų | 35 | 69.1 Ų | 69.1 | 25% | 0.245 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 157.6 | 173.5 | 61.5 | 0 | 0 | 0 | 0 | 110.2 | H803 A804 H805 Q806 | S764-H803 PolarHBondContact OG-NE2 3Å; S764-A804 PolarHBondContact N-O 2.74Å; S764-H805 CarbonylContact O-C 3.51Å; S764-H805 WeakPolarHBondContact O-CA 3.49Å; S764-H805 PolarHBondContact OG-ND1 2.86Å; S764-Q806 PolarHBondContact O-N 3.07Å |
| 765 | V | 93.8 | Very high | 83.2 | Confident | 103 Ų | 103 | 68.8 Ų | 68.8 | 62% | 0.624 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 145.3 | 178.9 | -60.2 | 0 | 0 | 0 | 0 | 109.3 | S767 Q806 | V765-S767 PolarHBondContact O-N 2.8Å; V765-Q806 HydrophobicContact CG1-CB 4.2Å |
| 766 | S | 90.8 | Very high | 80.6 | Confident | 23 Ų | 23 | 72.5 Ų | 72.5 | 16% | 0.161 | 44% | 0.439 | C | S | . | . | trans | -64.8 | 124.2 | 178.4 | -158 | 0 | 0 | 0 | 0 | 111.1 | Q806 R847 | S766-Q806 PolarHBondContact N-O 2.89Å; S766-R847 PolarHBondContact OG-NH1 2.8Å; S766-R847 VanDerWaalsContact OG-NH1 3.13Å; S766-R847 PolarHBondContact OG-NH2 2.88Å | ||
| 767 | S | 87.8 | Confident | 78.4 | Confident | 109 Ų | 109 | 78.3 Ų | 78.3 | 76% | 0.762 | 48% | 0.476 | S | S | * | . | trans | -101.3 | 11.7 | 179.6 | 65.5 | 0 | 0 | 0 | 0 | 113.8 | V765 | V765-S767 PolarHBondContact O-N 2.8Š| ||
| 768 | S | 85.9 | Confident | 76.4 | Confident | 23 Ų | 23 | 81.7 Ų | 81.7 | 16% | 0.161 | 49% | 0.49 | C | S | . | . | trans | -66.9 | 149 | -176.4 | -176.1 | 0 | 0 | 0 | 0 | 111.9 | L770 E863 | S768-L770 WeakPolarHBondContact OG-CG 3.14Å; S768-L770 PolarHBondContact OG-N 2.87Å; S768-E863 VanDerWaalsContact CB-OE1 3.23Å; S768-E863 WeakPolarHBondContact CB-OE1 3.46Å; S768-E863 VanDerWaalsContact OG-CD 3.23Å; S768-E863 PolarHBondContact OG-OE1 3.14Å; S768-E863 PolarHBondContact OG-OE2 2.62Å | ||
| 769 | K | 82.9 | Confident | 74.2 | Confident | 190 Ų | 190 | 87.9 Ų | 87.9 | 83% | 0.826 | 51% | 0.514 | S | S | * | . | trans | -123.7 | 16.9 | 179 | -59.7 | -175.4 | -178.3 | -179.4 | 0 | 112.3 | F771 | K769-F771 PolarHBondContact O-N 3.41Š| ||
| 770 | L | 80.6 | Confident | 72.2 | Confident | 68 Ų | 68 | 85.1 Ų | 85.1 | 36% | 0.356 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -58.9 | -37.2 | -178.7 | -71.7 | -178.3 | 0 | 0 | 0 | 111.8 | S768 P772 E863 E865 | S768-L770 WeakPolarHBondContact OG-CG 3.14Å; S768-L770 PolarHBondContact OG-N 2.87Å; L770-P772 WeakPolarHBondContact O-CD 3.37Å; L770-E863 HydrophobicContact CD1-CG 3.68Å; L770-E863 VanDerWaalsContact CD1-OE1 3.24Å; L770-E863 WeakPolarHBondContact CD1-OE1 3.34Å; L770-E865 HydrophobicContact CD1-CB 4.29Å |
| 771 | F | 80.1 | Confident | 70.4 | Confident | 27 Ų | 27 | 87.3 Ų | 87.3 | 12% | 0.118 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -99.6 | 112.1 | 175.9 | -48.7 | -63.7 | 0 | 0 | 0 | 108.8 | K769 S773 L808 M835 Q845 R847 E865 | K769-F771 PolarHBondContact O-N 3.41Å; F771-S773 PolarHBondContact O-N 3.3Å; F771-L808 HydrophobicContact CD2-CD1 4.01Å; F771-M835 HydrophobicContact CD2-CG 4.27Å; F771-M835 HydrophobicContact CD2-SD 4.09Å; F771-M835 HydrophobicContact CE2-CG 4.25Å; F771-M835 HydrophobicContact CE2-SD 4.25Å; F771-Q845 HydrophobicContact CD1-CB 4.41Å; F771-Q845 HydrophobicContact CE1-CB 4.04Å; F771-Q845 HydrophobicContact CE1-CG 4.5Å; F771-R847 HydrophobicContact CE2-CG 4.2Å; F771-R847 HydrophobicContact CZ-CB 4.36Å; F771-R847 HydrophobicContact CZ-CG 4.49Å; F771-E865 HydrophobicContact CE1-CG 3.91Å; F771-E865 HydrophobicContact CZ-CG 4.17Å |
| 772 | P | 61.8 | Low | 68.7 | Low | 89 Ų | 89 | 88.5 Ų | 88.5 | 58% | 0.578 | 52% | 0.52 | S | S | * | . | trans | -66.3 | 136.4 | 177.6 | 25.8 | -31.7 | 0 | 0 | 0 | 109.9 | L770 S774 | L770-P772 WeakPolarHBondContact O-CD 3.37Å; P772-S774 PolarHBondContact O-N 3.32Å | ||
| 773 | S | 53.3 | Low | 67.4 | Low | 121 Ų | 121 | 89 Ų | 89 | 85% | 0.846 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 27.2 | 173.5 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | F771 | F771-S773 PolarHBondContact O-N 3.3Š|
| 774 | S | 45.5 | Very low | 66.5 | Low | 98 Ų | 98 | 88.2 Ų | 88.2 | 69% | 0.685 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 0 | -169.8 | 60.5 | 0 | 0 | 0 | 0 | 114.4 | P772 | P772-S774 PolarHBondContact O-N 3.32Š|
| 775 | T | 43.6 | Very low | 66 | Low | 75 Ų | 75 | 92 Ų | 92 | 46% | 0.46 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -73.8 | 117.9 | 151.8 | 25.6 | 0 | 0 | 0 | 0 | 106 | H778 | T775-H778 WeakPolarHBondContact CB-NE2 3.45Š|
| 776 | S | 41.6 | Very low | 65.7 | Low | 80 Ų | 80 | 88.9 Ų | 88.9 | 56% | 0.559 | 51% | 0.511 | S | S | * | . | trans | -35.4 | 141.5 | 170.4 | 39.3 | 0 | 0 | 0 | 0 | 110.4 | H778 | S776-H778 VanDerWaalsContact C-N 3.25Å; S776-H778 PolarHBondContact O-CD2 3.44Å; S776-H778 PolarHBondContact O-N 2.95Å | ||
| 777 | P | 47.8 | Very low | 65.8 | Low | 130 Ų | 130 | 90 Ų | 90 | 84% | 0.844 | 51% | 0.513 | S | S | * | . | trans | -53 | 104.2 | 167.2 | 23.7 | -30.2 | 0 | 0 | 0 | 105.8 | ||||
| 778 | H | 54.3 | Low | 66.1 | Low | 80 Ų | 80 | 85.7 Ų | 85.7 | 37% | 0.37 | 48% | 0.483 | S | S | . | . | trans | -60.7 | 145.7 | -177.2 | -75.8 | -91.8 | 0 | 0 | 0 | 106.1 | T775 S776 T780 E839 | T775-H778 WeakPolarHBondContact CB-NE2 3.45Å; S776-H778 VanDerWaalsContact C-N 3.25Å; S776-H778 PolarHBondContact O-CD2 3.44Å; S776-H778 PolarHBondContact O-N 2.95Å; H778-T780 PolarHBondContact O-N 3.25Å; H778-T780 PolarHBondContact O-OG1 3.22Å; H778-E839 IonicContact ND1-OE1 3.89Å | ||
| 779 | E | 47.8 | Very low | 66.7 | Low | 201 Ų | 201 | 84.7 Ų | 84.7 | 94% | 0.939 | 48% | 0.476 | S | S | * | . | trans | -57.3 | 77.5 | -174.4 | -67.9 | -176.9 | 162.6 | 0 | 0 | 110.4 | S781 | E779-S781 PolarHBondContact O-N 2.93Š| ||
| 780 | T | 51.2 | Low | 67.4 | Low | 67 Ų | 67 | 75.7 Ų | 75.7 | 41% | 0.411 | 44% | 0.437 | S | S | . | . | trans | -78.2 | 113.4 | 172.9 | 33.8 | 0 | 0 | 0 | 0 | 104.5 | Q743 H778 E784 | Q743-T780 PolarHBondContact NE2-OG1 2.88Å; Q743-T780 VanDerWaalsContact NE2-OG1 3.15Å; Q743-T780 PolarHBondContact OE1-OG1 2.61Å; H778-T780 PolarHBondContact O-N 3.25Å; H778-T780 PolarHBondContact O-OG1 3.22Å; T780-E784 WeakPolarHBondContact CA-OE2 3.24Å | ||
| 781 | S | 55.6 | Low | 68.2 | Low | 65 Ų | 65 | 72.5 Ų | 72.5 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | trans | -76.4 | 146.1 | -173.4 | 67.7 | 0 | 0 | 0 | 0 | 109.5 | E779 G783 E784 | E779-S781 PolarHBondContact O-N 2.93Å; S781-G783 PolarHBondContact O-N 2.76Å; S781-E784 WeakPolarHBondContact CB-OE1 3.12Å; S781-E784 PolarHBondContact N-OE1 2.88Å; S781-E784 PolarHBondContact N-OE2 3.43Å; S781-E784 PolarHBondContact O-N 2.7Å; S781-E784 VanDerWaalsContact O-N 3.15Å; S781-E784 VanDerWaalsContact OG-CD 3.22Å; S781-E784 WeakPolarHBondContact OG-CG 3.42Å; S781-E784 PolarHBondContact OG-OE1 3.05Å | ||
| 782 | F | 56.6 | Low | 69.1 | Low | 150 Ų | 150 | 71.2 Ų | 71.2 | 66% | 0.658 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 126.1 | -177.8 | 167.6 | -104.4 | 0 | 0 | 0 | 110.7 | V745 | V745-F782 HydrophobicContact CB-CD2 4.23Å; V745-F782 HydrophobicContact CB-CE2 4.16Å; V745-F782 HydrophobicContact CG2-CD2 3.67Å; V745-F782 HydrophobicContact CG2-CE2 3.2Å; V745-F782 HydrophobicContact CG2-CZ 3.8Å |
| 783 | G | 64.8 | Low | 70.8 | Confident | 40 Ų | 40 | 67 Ų | 67 | 41% | 0.412 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | 9.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q743 S781 | Q743-G783 PolarHBondContact O-N 3.25Å; S781-G783 PolarHBondContact O-N 2.76Å |
| 784 | E | 76.4 | Confident | 72.7 | Confident | 78 Ų | 78 | 61.2 Ų | 61.2 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | trans | -70.8 | 145 | 171.5 | -83 | 176 | -169.1 | 0 | 0 | 112.8 | Q743 T780 S781 | Q743-E784 PolarHBondContact N-O 2.91Å; T780-E784 WeakPolarHBondContact CA-OE2 3.24Å; S781-E784 WeakPolarHBondContact CB-OE1 3.12Å; S781-E784 PolarHBondContact N-OE1 2.88Å; S781-E784 PolarHBondContact N-OE2 3.43Å; S781-E784 PolarHBondContact O-N 2.7Å; S781-E784 VanDerWaalsContact O-N 3.15Å; S781-E784 VanDerWaalsContact OG-CD 3.22Å; S781-E784 WeakPolarHBondContact OG-CG 3.42Å; S781-E784 PolarHBondContact OG-OE1 3.05Å | ||
| 785 | E | 84 | Confident | 74.6 | Confident | 115 Ų | 115 | 58 Ų | 58 | 54% | 0.537 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 130.8 | 172.9 | -70.1 | -178.4 | -167.8 | 0 | 0 | 110.9 | V740 | V740-E785 HydrophobicContact CG1-CB 3.74Å; V740-E785 HydrophobicContact CG1-CG 3.86Å |
| 786 | V | 88 | Confident | 76.5 | Confident | 37 Ų | 37 | 54.5 Ų | 54.5 | 22% | 0.224 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 126.3 | 178.4 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | E741 T749 | E741-V786 PolarHBondContact N-O 2.69Å; E741-V786 PolarHBondContact O-N 3.38Å; T749-V786 HydrophobicContact CG2-CB 4.46Å; T749-V786 HydrophobicContact CG2-CG2 4.34Å |
| 787 | E | 91.6 | Very high | 78 | Confident | 46 Ų | 46 | 56.4 Ų | 56.4 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 129 | 172 | -70.2 | -163.8 | -138.4 | 0 | 0 | 111.3 | R722 S738 R739 H789 Y812 | R722-E787 IonicContact NH2-OE1 3.73Å; R722-E787 PolarHBondContact NH2-OE1 3.09Å; R722-E787 IonicContact NH2-OE2 2.97Å; R722-E787 PolarHBondContact NH2-OE2 3.32Å; S738-E787 WeakPolarHBondContact CB-OE2 3.32Å; S738-E787 PolarHBondContact OG-OE2 2.81Å; R739-E787 CarbonylContact O-C 3.5Å; R739-E787 WeakPolarHBondContact O-CA 3.39Å; E787-H789 IonicContact OE2-NE2 3.18Å; E787-Y812 HydrophobicContact CB-CE1 4.26Å |
| 788 | V | 95.2 | Very high | 79.3 | Confident | 19 Ų | 19 | 53.7 Ų | 53.7 | 12% | 0.115 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 115.6 | 172.7 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | S738 R739 E741 Q806 | S738-V788 WeakPolarHBondContact CA-O 3.49Å; R739-V788 HydrophobicContact CG-CB 4.07Å; R739-V788 PolarHBondContact N-O 2.98Å; R739-V788 PolarHBondContact O-N 2.8Å; E741-V788 HydrophobicContact CB-CG2 4.5Å; E741-V788 HydrophobicContact CG-CG2 3.9Å; V788-Q806 HydrophobicContact CG1-CG 3.79Å |
| 789 | H | 97.6 | Very high | 80.7 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 145.9 | -180 | -75.2 | -108.2 | 0 | 0 | 0 | 112.6 | S737 E787 F807 E811 Y812 S813 | S737-H789 CarbonylContact O-C 3.51Å; S737-H789 VanDerWaalsContact O-CA 3.28Å; S737-H789 WeakPolarHBondContact O-CA 3.46Å; E787-H789 IonicContact OE2-NE2 3.18Å; H789-F807 HydrophobicContact CB-CD2 3.87Å; H789-F807 WeakPolarHBondContact O-CD2 3.28Å; H789-F807 PolarHBondContact O-N 3.09Å; H789-F807 VanDerWaalsContact O-N 3.12Å; H789-E811 WeakPolarHBondContact CB-O 3.12Å; H789-E811 PolarHBondContact CD2-O 2.72Å; H789-Y812 AromaticContact CD2-CD1 3.89Å; H789-Y812 AromaticContact CD2-CG 3.85Å; H789-Y812 AromaticContact NE2-CD1 3.78Å; H789-Y812 AromaticContact NE2-CD2 3.38Å; H789-Y812 WeakPolarHBondContact NE2-CD2 3.28Å; H789-Y812 AromaticContact NE2-CE2 3.84Å; H789-Y812 AromaticContact NE2-CG 3.34Å; H789-Y812 VanDerWaalsContact NE2-CG 3.34Å; H789-S813 PolarHBondContact ND1-N 2.81Å; H789-S813 VanDerWaalsContact ND1-N 3.17Å; H789-S813 PolarHBondContact ND1-OG 3.23Å |
| 790 | S | 97.9 | Very high | 82.6 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 148.2 | 176.6 | -63.6 | 0 | 0 | 0 | 0 | 112.6 | S737 H805 | S737-S790 PolarHBondContact N-O 2.77Å; S737-S790 PolarHBondContact O-N 3.25Å; S737-S790 PolarHBondContact OG-O 2.83Å; S790-H805 CarbonylContact C-O 3.53Å; S790-H805 VanDerWaalsContact CA-O 3.24Å; S790-H805 WeakPolarHBondContact CA-O 3.49Å |
| 791 | L | 98.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 119.1 | 166.8 | 168 | 63.6 | 0 | 0 | 0 | 109.2 | L736 A804 H805 F807 I816 V831 F851 L858 | L736-L791 HydrophobicContact CD2-CB 4.17Å; L736-L791 HydrophobicContact CD2-CD1 3.97Å; L791-A804 WeakPolarHBondContact O-CA 3.21Å; L791-H805 HydrophobicContact CB-CB 4.36Å; L791-H805 PolarHBondContact N-O 3.28Å; L791-H805 PolarHBondContact O-N 2.65Å; L791-F807 HydrophobicContact CB-CE2 4.02Å; L791-F807 HydrophobicContact CB-CZ 3.85Å; L791-I816 HydrophobicContact CD1-CD1 3.61Å; L791-V831 HydrophobicContact CD2-CG2 4Å; L791-F851 HydrophobicContact CD2-CD2 3.82Å; L791-F851 HydrophobicContact CD2-CE2 4.01Å; L791-F851 HydrophobicContact CD2-CG 4.35Å; L791-L858 HydrophobicContact CD2-CD1 3.54Å; L791-L858 HydrophobicContact CG-CD1 3.9Å |
| 792 | L | 98.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 135.1 | 176.5 | -48.9 | 179.1 | 0 | 0 | 0 | 109.8 | G734 V735 A756 V794 V801 H803 A804 | G734-L792 WeakPolarHBondContact CA-O 3.35Å; V735-L792 HydrophobicContact CB-CB 4.28Å; V735-L792 PolarHBondContact N-O 3.34Å; V735-L792 PolarHBondContact O-N 3.26Å; A756-L792 HydrophobicContact CB-CD1 3.88Å; L792-V794 HydrophobicContact CB-CG2 4.2Å; L792-V801 HydrophobicContact CB-CG1 4.35Å; L792-V801 HydrophobicContact CD2-CG1 4.23Å; L792-H803 CarbonylContact C-O 3.57Å; L792-H803 WeakPolarHBondContact CA-O 3.07Å; L792-A804 HydrophobicContact CD2-CB 3.89Å |
| 793 | V | 97.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 116.3 | 166.2 | -175.2 | 0 | 0 | 0 | 0 | 107.7 | C732 F733 L802 H803 Y853 L858 | C732-V793 HydrophobicContact CB-CG1 3.93Å; F733-V793 WeakPolarHBondContact O-CA 3.42Å; V793-L802 HydrophobicContact CG1-CD1 4.49Å; V793-L802 WeakPolarHBondContact O-CB 3.29Å; V793-L802 PolarHBondContact O-N 2.75Å; V793-H803 HydrophobicContact CB-CB 4.13Å; V793-H803 HydrophobicContact CG2-CB 4.18Å; V793-H803 PolarHBondContact N-O 2.79Å; V793-H803 PolarHBondContact O-N 2.81Å; V793-Y853 HydrophobicContact CB-CD2 4.49Å; V793-Y853 HydrophobicContact CB-CE2 4.2Å; V793-Y853 HydrophobicContact CG1-CD1 4.32Å; V793-Y853 HydrophobicContact CG1-CD2 4.1Å; V793-Y853 HydrophobicContact CG1-CE1 4.04Å; V793-Y853 HydrophobicContact CG1-CE2 3.82Å; V793-Y853 HydrophobicContact CG1-CG 4.34Å; V793-Y853 HydrophobicContact CG2-CD2 4.04Å; V793-Y853 HydrophobicContact CG2-CE2 4.18Å; V793-L858 HydrophobicContact CG2-CD1 3.7Å; V793-L858 HydrophobicContact CG2-CD2 3.89Å; V793-L858 HydrophobicContact CG2-CG 3.78Å |
| 794 | V | 93.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 130.1 | -173 | -179 | 0 | 0 | 0 | 0 | 109.3 | L387 C732 F733 V735 L792 F799 E800 | L387-V794 HydrophobicContact CD1-CG1 4.47Å; C732-V794 CarbonylContact C-O 3.52Å; C732-V794 VanDerWaalsContact CA-O 3.27Å; C732-V794 WeakPolarHBondContact CA-O 3.23Å; C732-V794 VanDerWaalsContact CB-O 3.3Å; C732-V794 WeakPolarHBondContact CB-O 3.37Å; F733-V794 HydrophobicContact CB-CB 4.35Å; F733-V794 PolarHBondContact N-O 2.87Å; F733-V794 PolarHBondContact O-N 3.4Å; V735-V794 HydrophobicContact CG2-CG2 4.25Å; L792-V794 HydrophobicContact CB-CG2 4.2Å; V794-F799 HydrophobicContact CG1-CB 4.14Å; V794-F799 HydrophobicContact CG1-CD1 4.14Å; V794-E800 WeakPolarHBondContact CA-O 3.39Å |
| 795 | D | 85.6 | Confident | 90.9 | Very high | 29 Ų | 29 | 29.5 Ų | 29.5 | 16% | 0.155 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 144 | 176.9 | 178.1 | 45.3 | 0 | 0 | 0 | 111.7 | H797 T798 F799 E800 L802 | D795-H797 PolarHBondContact O-N 3.09Å; D795-H797 PolarHBondContact OD2-N 3.22Å; D795-T798 WeakPolarHBondContact CB-OG1 3.33Å; D795-T798 WeakPolarHBondContact OD2-CB 3.34Å; D795-T798 WeakPolarHBondContact OD2-CG2 3.36Å; D795-T798 PolarHBondContact OD2-N 2.81Å; D795-T798 PolarHBondContact OD2-OG1 2.73Å; D795-F799 WeakPolarHBondContact O-CA 3.4Å; D795-F799 PolarHBondContact O-N 2.68Å; D795-E800 HydrophobicContact CB-CG 4.29Å; D795-E800 PolarHBondContact N-O 3.01Å; D795-L802 HydrophobicContact CB-CD1 3.96Å; D795-L802 HydrophobicContact CB-CD2 4.22Å; D795-L802 HydrophobicContact CB-CG 4.09Å |
| 796 | Q | 83.3 | Confident | 91.5 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.009 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -23.4 | -177.4 | 73.7 | 177.3 | -4.3 | 0 | 0 | 114.5 | L367 Y726 Q731 F733 F799 | L367-Q796 HydrophobicContact CD2-CB 4.19Å; Y726-Q796 PolarHBondContact OH-OE1 2.91Å; Y726-Q796 VanDerWaalsContact OH-OE1 3.05Å; Q731-Q796 HydrophobicContact CB-CG 4.24Å; Q731-Q796 VanDerWaalsContact CD-NE2 3.29Å; Q731-Q796 VanDerWaalsContact O-CB 3.26Å; Q731-Q796 WeakPolarHBondContact O-CB 3.11Å; Q731-Q796 WeakPolarHBondContact O-CG 3.25Å; Q731-Q796 PolarHBondContact O-N 2.57Å; F733-Q796 HydrophobicContact CD2-CB 4.36Å; F733-Q796 HydrophobicContact CE2-CB 3.87Å; Q796-F799 WeakPolarHBondContact O-CE2 3.49Å; Q796-F799 WeakPolarHBondContact O-CZ 3.2Å |
| 797 | H | 73.8 | Confident | 91.9 | Very high | 120 Ų | 120 | 25.7 Ų | 25.7 | 56% | 0.556 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -54.8 | -172.7 | -62.4 | -59.1 | 0 | 0 | 0 | 111 | R713 D795 | R713-H797 PolarHBondContact NH1-O 2.87Å; D795-H797 PolarHBondContact O-N 3.09Å; D795-H797 PolarHBondContact OD2-N 3.22Å |
| 798 | T | 74.2 | Confident | 92 | Very high | 74 Ų | 74 | 25 Ų | 25 | 45% | 0.454 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -26.9 | -178.1 | 62.6 | 0 | 0 | 0 | 0 | 111.9 | R713 D795 E800 | R713-T798 PolarHBondContact NH2-O 3.11Å; D795-T798 WeakPolarHBondContact CB-OG1 3.33Å; D795-T798 WeakPolarHBondContact OD2-CB 3.34Å; D795-T798 WeakPolarHBondContact OD2-CG2 3.36Å; D795-T798 PolarHBondContact OD2-N 2.81Å; D795-T798 PolarHBondContact OD2-OG1 2.73Å; T798-E800 PolarHBondContact O-N 3.35Å; T798-E800 VanDerWaalsContact OG1-CG 3.3Å; T798-E800 WeakPolarHBondContact OG1-CG 3.48Å; T798-E800 PolarHBondContact OG1-N 3.38Å |
| 799 | F | 84.6 | Confident | 91.7 | Very high | 14 Ų | 14 | 29.3 Ų | 29.3 | 6% | 0.061 | 16% | 0.156 | C | C | . | . | trans | 59.3 | 23.1 | -168.7 | -64.1 | -92.6 | 0 | 0 | 0 | 113.9 | I389 V715 F733 V794 D795 Q796 | I389-F799 HydrophobicContact CD1-CD1 4.19Å; I389-F799 HydrophobicContact CD1-CE1 3.83Å; I389-F799 HydrophobicContact CD1-CE2 4.25Å; I389-F799 HydrophobicContact CD1-CZ 3.87Å; I389-F799 HydrophobicContact CG1-CE1 3.76Å; I389-F799 HydrophobicContact CG1-CE2 4.21Å; I389-F799 HydrophobicContact CG1-CZ 3.54Å; V715-F799 HydrophobicContact CB-CB 4.44Å; V715-F799 HydrophobicContact CG1-CB 3.99Å; V715-F799 HydrophobicContact CG2-CB 3.67Å; V715-F799 HydrophobicContact CG2-CD1 4.21Å; V715-F799 HydrophobicContact CG2-CD2 4.45Å; V715-F799 HydrophobicContact CG2-CG 3.87Å; F733-F799 HydrophobicContact CD2-CE1 4.18Å; F733-F799 AromaticContact CE2-CE1 3.78Å; F733-F799 HydrophobicContact CE2-CE1 3.78Å; F733-F799 HydrophobicContact CE2-CZ 4.2Å; V794-F799 HydrophobicContact CG1-CB 4.14Å; V794-F799 HydrophobicContact CG1-CD1 4.14Å; D795-F799 WeakPolarHBondContact O-CA 3.4Å; D795-F799 PolarHBondContact O-N 2.68Å; Q796-F799 WeakPolarHBondContact O-CE2 3.49Å; Q796-F799 WeakPolarHBondContact O-CZ 3.2Å | ||
| 800 | E | 86.8 | Confident | 91.3 | Very high | 92 Ų | 92 | 31.2 Ų | 31.2 | 43% | 0.43 | 17% | 0.17 | S | C | . | . | trans | -74.5 | 150.7 | 171.1 | 79.3 | -172.2 | 167 | 0 | 0 | 111.4 | V794 D795 T798 L802 | V794-E800 WeakPolarHBondContact CA-O 3.39Å; D795-E800 HydrophobicContact CB-CG 4.29Å; D795-E800 PolarHBondContact N-O 3.01Å; T798-E800 PolarHBondContact O-N 3.35Å; T798-E800 VanDerWaalsContact OG1-CG 3.3Å; T798-E800 WeakPolarHBondContact OG1-CG 3.48Å; T798-E800 PolarHBondContact OG1-N 3.38Å; E800-L802 HydrophobicContact CG-CD2 3.77Å; E800-L802 PolarHBondContact O-N 3.03Å | ||
| 801 | V | 94.1 | Very high | 91.2 | Very high | 25 Ų | 25 | 31.3 Ų | 31.3 | 15% | 0.152 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 100.7 | 179 | -171.2 | 0 | 0 | 0 | 0 | 109.7 | A756 A760 L761 L792 | A756-V801 HydrophobicContact CB-CG2 4.06Å; A760-V801 HydrophobicContact CB-CB 4.22Å; A760-V801 HydrophobicContact CB-CG1 3.59Å; L761-V801 PolarHBondContact N-O 3.09Å; L761-V801 VanDerWaalsContact N-O 3.12Å; L792-V801 HydrophobicContact CB-CG1 4.35Å; L792-V801 HydrophobicContact CD2-CG1 4.23Å |
| 802 | L | 92.4 | Very high | 91.1 | Very high | 29 Ų | 29 | 33.9 Ų | 33.9 | 15% | 0.152 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | -42.6 | -177.8 | -59.1 | 177.4 | 0 | 0 | 0 | 112.2 | L761 S762 V793 D795 E800 Y853 | L761-L802 HydrophobicContact CD1-CD2 4.16Å; S762-L802 PolarHBondContact N-O 3.32Å; S762-L802 PolarHBondContact OG-O 3.41Å; V793-L802 HydrophobicContact CG1-CD1 4.49Å; V793-L802 WeakPolarHBondContact O-CB 3.29Å; V793-L802 PolarHBondContact O-N 2.75Å; D795-L802 HydrophobicContact CB-CD1 3.96Å; D795-L802 HydrophobicContact CB-CD2 4.22Å; D795-L802 HydrophobicContact CB-CG 4.09Å; E800-L802 HydrophobicContact CG-CD2 3.77Å; E800-L802 PolarHBondContact O-N 3.03Å; L802-Y853 WeakPolarHBondContact CD1-OH 3.27Å |
| 803 | H | 96.9 | Very high | 91 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.019 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 139.8 | -178.3 | -165.5 | 87.2 | 0 | 0 | 0 | 111.8 | S762 S764 L792 V793 Y853 | S762-H803 CarbonylContact O-C 3.49Å; S762-H803 VanDerWaalsContact O-CA 3.24Å; S762-H803 WeakPolarHBondContact O-CA 3.48Å; S762-H803 PolarHBondContact OG-ND1 2.99Å; S764-H803 PolarHBondContact OG-NE2 3Å; L792-H803 CarbonylContact C-O 3.57Å; L792-H803 WeakPolarHBondContact CA-O 3.07Å; V793-H803 HydrophobicContact CB-CB 4.13Å; V793-H803 HydrophobicContact CG2-CB 4.18Å; V793-H803 PolarHBondContact N-O 2.79Å; V793-H803 PolarHBondContact O-N 2.81Å; H803-Y853 HydrophobicContact CB-CE2 4.24Å |
| 804 | A | 97.6 | Very high | 91 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 119.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | S757 A760 S762 S763 S764 L791 L792 | S757-A804 WeakPolarHBondContact O-CB 3.21Å; A760-A804 HydrophobicContact CB-CB 3.56Å; S762-A804 PolarHBondContact O-N 3.26Å; S763-A804 CarbonylContact C-O 3.59Å; S763-A804 WeakPolarHBondContact CA-O 3.31Å; S764-A804 PolarHBondContact N-O 2.74Å; L791-A804 WeakPolarHBondContact O-CA 3.21Å; L792-A804 HydrophobicContact CD2-CB 3.89Å |
| 805 | H | 97.8 | Very high | 91.2 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 2% | 0.023 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 114.8 | 173.6 | -177.7 | 78.7 | 0 | 0 | 0 | 110.6 | S764 S790 L791 F851 L858 | S764-H805 CarbonylContact O-C 3.51Å; S764-H805 WeakPolarHBondContact O-CA 3.49Å; S764-H805 PolarHBondContact OG-ND1 2.86Å; S790-H805 CarbonylContact C-O 3.53Å; S790-H805 VanDerWaalsContact CA-O 3.24Å; S790-H805 WeakPolarHBondContact CA-O 3.49Å; L791-H805 HydrophobicContact CB-CB 4.36Å; L791-H805 PolarHBondContact N-O 3.28Å; L791-H805 PolarHBondContact O-N 2.65Å; H805-F851 AromaticContact CD2-CE1 3.74Å; H805-F851 AromaticContact CD2-CZ 3.48Å; H805-F851 VanDerWaalsContact CD2-CZ 3.48Å; H805-F851 WeakPolarHBondContact CD2-CZ 3.49Å; H805-F851 AromaticContact CE1-CE1 3.94Å; H805-F851 AromaticContact NE2-CE1 3.65Å; H805-F851 AromaticContact NE2-CZ 3.56Å; H805-L858 HydrophobicContact CB-CD1 3.95Å |
| 806 | Q | 97.3 | Very high | 91.7 | Very high | 67 Ų | 67 | 36 Ų | 36 | 31% | 0.313 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 133.5 | 178.3 | -173.4 | 177.1 | -45.4 | 0 | 0 | 111.6 | S764 V765 S766 V788 | S764-Q806 PolarHBondContact O-N 3.07Å; V765-Q806 HydrophobicContact CG1-CB 4.2Å; S766-Q806 PolarHBondContact N-O 2.89Å; V788-Q806 HydrophobicContact CG1-CG 3.79Å |
| 807 | F | 96.4 | Very high | 92.4 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | trans | -79.8 | 179.7 | 178.2 | -68 | -66.8 | 0 | 0 | 0 | 112.8 | L736 H789 L791 E811 V831 T833 I849 F851 | L736-F807 HydrophobicContact CD2-CE2 4.29Å; L736-F807 HydrophobicContact CD2-CZ 4.44Å; H789-F807 HydrophobicContact CB-CD2 3.87Å; H789-F807 WeakPolarHBondContact O-CD2 3.28Å; H789-F807 PolarHBondContact O-N 3.09Å; H789-F807 VanDerWaalsContact O-N 3.12Å; L791-F807 HydrophobicContact CB-CE2 4.02Å; L791-F807 HydrophobicContact CB-CZ 3.85Å; F807-E811 HydrophobicContact CB-CB 4.37Å; F807-E811 HydrophobicContact CB-CG 4.38Å; F807-E811 WeakPolarHBondContact CB-OE2 3.42Å; F807-V831 HydrophobicContact CE1-CG1 4.22Å; F807-V831 HydrophobicContact CZ-CB 4.38Å; F807-V831 HydrophobicContact CZ-CG1 3.77Å; F807-V831 HydrophobicContact CZ-CG2 4.4Å; F807-T833 HydrophobicContact CD1-CG2 4.33Å; F807-T833 HydrophobicContact CE1-CG2 4.33Å; F807-I849 HydrophobicContact CD1-CD1 4.03Å; F807-I849 HydrophobicContact CE1-CD1 3.79Å; F807-F851 HydrophobicContact CE1-CE2 4.3Å; F807-F851 HydrophobicContact CE1-CZ 4.23Å | ||
| 808 | L | 93.6 | Very high | 93.6 | Very high | 30 Ų | 30 | 32.5 Ų | 32.5 | 16% | 0.157 | 18% | 0.18 | C | C | . | . | trans | -68.5 | 159.4 | 178.6 | -64.7 | 169.4 | 0 | 0 | 0 | 111.4 | F771 E811 | F771-L808 HydrophobicContact CD2-CD1 4.01Å; L808-E811 HydrophobicContact CB-CB 3.94Å; L808-E811 VanDerWaalsContact CB-OE2 3.3Å; L808-E811 WeakPolarHBondContact CB-OE2 3.39Å; L808-E811 WeakPolarHBondContact CG-OE2 3.29Å; L808-E811 PolarHBondContact N-OE2 3.12Å; L808-E811 WeakPolarHBondContact O-CB 3.37Å; L808-E811 PolarHBondContact O-N 2.98Å | ||
| 809 | P | 88.7 | Confident | 94.6 | Very high | 110 Ų | 110 | 29.5 Ų | 29.5 | 71% | 0.714 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | 139.6 | 170.9 | -22.4 | 33.7 | 0 | 0 | 0 | 111.3 | E811 M835 | P809-E811 PolarHBondContact O-N 2.69Å; P809-M835 WeakPolarHBondContact O-CE 3.04Å |
| 810 | S | 89.2 | Confident | 95.1 | Very high | 44 Ų | 44 | 35.6 Ų | 35.6 | 31% | 0.308 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 18.6 | -176.7 | -53.3 | 0 | 0 | 0 | 0 | 114.5 | V836 | S810-V836 PolarHBondContact O-N 2.81Š|
| 811 | E | 94.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 124 | 176.7 | -173.1 | 176.6 | -148.6 | 0 | 0 | 111.4 | H789 F807 L808 P809 T833 A834 M835 R847 | H789-E811 WeakPolarHBondContact CB-O 3.12Å; H789-E811 PolarHBondContact CD2-O 2.72Å; F807-E811 HydrophobicContact CB-CB 4.37Å; F807-E811 HydrophobicContact CB-CG 4.38Å; F807-E811 WeakPolarHBondContact CB-OE2 3.42Å; L808-E811 HydrophobicContact CB-CB 3.94Å; L808-E811 VanDerWaalsContact CB-OE2 3.3Å; L808-E811 WeakPolarHBondContact CB-OE2 3.39Å; L808-E811 WeakPolarHBondContact CG-OE2 3.29Å; L808-E811 PolarHBondContact N-OE2 3.12Å; L808-E811 WeakPolarHBondContact O-CB 3.37Å; L808-E811 PolarHBondContact O-N 2.98Å; P809-E811 PolarHBondContact O-N 2.69Å; E811-T833 HydrophobicContact CG-CG2 4.24Å; E811-T833 WeakPolarHBondContact OE1-CB 3.35Å; E811-T833 PolarHBondContact OE1-OG1 3Å; E811-T833 VanDerWaalsContact OE1-OG1 3.06Å; E811-A834 CarbonylContact C-O 3.59Å; E811-A834 WeakPolarHBondContact CA-O 3.05Å; E811-M835 HydrophobicContact CB-CE 4.4Å; E811-M835 HydrophobicContact CB-SD 3.75Å; E811-M835 HydrophobicContact CG-SD 3.93Å; E811-R847 WeakPolarHBondContact OE1-CG 3.47Å; E811-R847 IonicContact OE1-CZ 2.71Å; E811-R847 IonicContact OE1-NE 3.44Å; E811-R847 PolarHBondContact OE1-NE 2.71Å; E811-R847 IonicContact OE1-NH2 3.17Å; E811-R847 PolarHBondContact OE1-NH2 3.42Å; E811-R847 IonicContact OE2-CZ 3.5Å; E811-R847 IonicContact OE2-NE 3.57Å; E811-R847 IonicContact OE2-NH2 3.67Å; E811-R847 PolarHBondContact OE2-NH2 2.88Å |
| 812 | Y | 96.7 | Very high | 95.5 | Very high | 55 Ų | 55 | 32.3 Ų | 32.3 | 22% | 0.216 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 127.9 | -177.3 | -77.2 | 42.6 | 0 | 0 | 0 | 109.3 | E787 H789 T833 A834 V836 | E787-Y812 HydrophobicContact CB-CE1 4.26Å; H789-Y812 AromaticContact CD2-CD1 3.89Å; H789-Y812 AromaticContact CD2-CG 3.85Å; H789-Y812 AromaticContact NE2-CD1 3.78Å; H789-Y812 AromaticContact NE2-CD2 3.38Å; H789-Y812 WeakPolarHBondContact NE2-CD2 3.28Å; H789-Y812 AromaticContact NE2-CE2 3.84Å; H789-Y812 AromaticContact NE2-CG 3.34Å; H789-Y812 VanDerWaalsContact NE2-CG 3.34Å; Y812-T833 CarbonylContact O-C 3.59Å; Y812-T833 WeakPolarHBondContact O-CA 3.38Å; Y812-T833 WeakPolarHBondContact O-CB 3.34Å; Y812-A834 PolarHBondContact N-O 2.79Å; Y812-A834 PolarHBondContact O-N 3.34Å; Y812-V836 HydrophobicContact CD1-CB 3.79Å; Y812-V836 HydrophobicContact CD1-CG2 3.72Å; Y812-V836 HydrophobicContact CD2-CB 4.49Å; Y812-V836 HydrophobicContact CD2-CG2 3.96Å; Y812-V836 HydrophobicContact CE1-CB 3.92Å; Y812-V836 HydrophobicContact CE1-CG1 4.43Å; Y812-V836 HydrophobicContact CE1-CG2 4.29Å; Y812-V836 HydrophobicContact CE2-CG2 4.48Å; Y812-V836 HydrophobicContact CG-CB 4.12Å; Y812-V836 HydrophobicContact CG-CG2 3.55Å |
| 813 | S | 96.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 120.3 | 175.1 | 67.6 | 0 | 0 | 0 | 0 | 110.3 | H789 | H789-S813 PolarHBondContact ND1-N 2.81Å; H789-S813 VanDerWaalsContact ND1-N 3.17Å; H789-S813 PolarHBondContact ND1-OG 3.23Å |
| 814 | L | 96.7 | Very high | 95.2 | Very high | 48 Ų | 48 | 42.2 Ų | 42.2 | 25% | 0.251 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | -32.9 | -168.9 | -60.6 | 178.1 | 0 | 0 | 0 | 114.1 | R723 G832 A834 A869 V870 Y871 | R723-L814 VanDerWaalsContact CG-O 3.3Å; R723-L814 WeakPolarHBondContact CG-O 3.44Å; R723-L814 PolarHBondContact NE-O 3.49Å; L814-G832 PolarHBondContact N-O 3.01Å; L814-A834 HydrophobicContact CD1-CB 3.83Å; L814-A869 HydrophobicContact CD1-CB 3.86Å; L814-V870 WeakPolarHBondContact CB-O 3.08Å; L814-Y871 HydrophobicContact CD1-CD1 4.18Å; L814-Y871 HydrophobicContact CD1-CE1 4.39Å |
| 815 | S | 97.3 | Very high | 95 | Very high | 5 Ų | 5 | 47 Ų | 47 | 4% | 0.035 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 145.9 | -175.3 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | V831 G832 V870 | S815-V831 WeakPolarHBondContact O-CA 3.24Å; S815-G832 PolarHBondContact N-O 3.46Å; S815-G832 PolarHBondContact O-N 3.16Å; S815-G832 WeakPolarHBondContact OG-CA 3.43Å; S815-V870 PolarHBondContact OG-O 3.13Å |
| 816 | I | 97.9 | Very high | 94.8 | Very high | 19 Ų | 19 | 48.1 Ų | 48.1 | 10% | 0.097 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 143.2 | 176.6 | -167.5 | 174.6 | 0 | 0 | 0 | 110.2 | R723 C725 L736 L791 F829 I830 V831 | R723-I816 HydrophobicContact CB-CG2 3.58Å; C725-I816 HydrophobicContact CB-CG2 4.34Å; L736-I816 HydrophobicContact CD1-CB 3.96Å; L736-I816 HydrophobicContact CD1-CG2 4.36Å; L736-I816 HydrophobicContact CD2-CD1 4.21Å; L736-I816 HydrophobicContact CG-CB 4.07Å; L736-I816 HydrophobicContact CG-CD1 4.3Å; L736-I816 HydrophobicContact CG-CG2 4.3Å; L791-I816 HydrophobicContact CD1-CD1 3.61Å; I816-F829 HydrophobicContact CD1-CD1 4.29Å; I816-I830 CarbonylContact C-O 3.6Å; I816-I830 VanDerWaalsContact CA-O 3.28Å; I816-I830 WeakPolarHBondContact CA-O 3.47Å; I816-V831 HydrophobicContact CD1-CG2 4.36Å; I816-V831 HydrophobicContact CG1-CG2 4.15Å |
| 817 | V | 97.8 | Very high | 94.7 | Very high | 20 Ų | 20 | 45.8 Ų | 45.8 | 12% | 0.121 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 146.6 | 170.2 | 63.3 | 0 | 0 | 0 | 0 | 110.2 | C819 I830 M873 L880 | V817-C819 HydrophobicContact CG2-CB 4.27Å; V817-I830 HydrophobicContact CG1-CB 3.81Å; V817-I830 HydrophobicContact CG1-CD1 4.25Å; V817-I830 HydrophobicContact CG1-CG1 4.36Å; V817-I830 PolarHBondContact N-O 2.96Å; V817-I830 PolarHBondContact O-N 3.5Å; V817-M873 HydrophobicContact CG1-CB 4.42Å; V817-L880 HydrophobicContact CG1-CD1 3.98Å |
| 818 | S | 97.4 | Very high | 94.8 | Very high | 29 Ų | 29 | 45.5 Ų | 45.5 | 20% | 0.203 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 111.1 | 171.5 | 173.3 | 0 | 0 | 0 | 0 | 108.2 | Y726 Q727 Y828 | Y726-S818 WeakPolarHBondContact O-CB 3.41Å; Y726-S818 PolarHBondContact O-OG 3.13Å; Q727-S818 WeakPolarHBondContact CB-OG 3.44Å; Q727-S818 PolarHBondContact NE2-OG 2.89Å; S818-Y828 WeakPolarHBondContact CA-O 3.43Å |
| 819 | C | 96.2 | Very high | 95 | Very high | 12 Ų | 12 | 44 Ų | 44 | 8% | 0.081 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 171 | -176.8 | 65.5 | 0 | 0 | 0 | 0 | 113.8 | V817 Y828 E875 | V817-C819 HydrophobicContact CG2-CB 4.27Å; C819-Y828 PolarHBondContact N-O 2.89Å; C819-Y828 PolarHBondContact O-N 2.81Å; C819-E875 HydrophobicContact CB-CB 3.81Å; C819-E875 HydrophobicContact CB-CG 3.72Å |
| 820 | R | 95.8 | Very high | 95.4 | Very high | 142 Ų | 142 | 38.8 Ų | 38.8 | 54% | 0.536 | 21% | 0.21 | S | C | . | . | trans | -100.3 | 141.7 | 168.1 | -62.7 | -178.3 | -176.1 | 164.3 | 4.2 | 108.7 | V827 | R820-V827 HydrophobicContact CG-CB 4.42Å; R820-V827 HydrophobicContact CG-CG2 3.69Å | ||
| 821 | L | 94.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | trans | -122.5 | 140 | -179.7 | -63.6 | -180 | 0 | 0 | 0 | 112 | K823 D824 I830 L880 W893 L899 | L821-K823 PolarHBondContact O-N 3.26Å; L821-D824 WeakPolarHBondContact O-CB 3.44Å; L821-D824 PolarHBondContact O-N 3.27Å; L821-D824 VanDerWaalsContact O-N 3.13Å; L821-I830 HydrophobicContact CD1-CD1 3.52Å; L821-I830 HydrophobicContact CG-CD1 4.12Å; L821-L880 HydrophobicContact CD1-CB 4.42Å; L821-L880 HydrophobicContact CD2-CB 4.12Å; L821-W893 HydrophobicContact CB-CB 3.55Å; L821-W893 HydrophobicContact CB-CD2 4.22Å; L821-W893 HydrophobicContact CB-CG 3.59Å; L821-W893 HydrophobicContact CD1-CB 4.22Å; L821-W893 HydrophobicContact CD1-CD2 4.2Å; L821-W893 HydrophobicContact CD1-CE3 4.13Å; L821-W893 HydrophobicContact CD1-CG 4.28Å; L821-W893 VanDerWaalsContact O-CD1 3.31Å; L821-L899 HydrophobicContact CD1-CD2 4.21Å | ||
| 822 | G | 92.9 | Very high | 96 | Very high | 47 Ų | 47 | 36.6 Ų | 36.6 | 49% | 0.485 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | -124.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G878 | G822-G878 PolarHBondContact N-O 2.84Š|
| 823 | K | 91.6 | Very high | 96.1 | Very high | 214 Ų | 214 | 34 Ų | 34 | 93% | 0.93 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 6.9 | 176.8 | -62 | -178.8 | -178.3 | 176.3 | 0 | 112.8 | L821 | L821-K823 PolarHBondContact O-N 3.26Š|
| 824 | D | 93.2 | Very high | 96.1 | Very high | 26 Ų | 26 | 34 Ų | 34 | 14% | 0.139 | 18% | 0.184 | C | C | . | . | trans | -75.4 | 124.7 | 179.8 | -164.8 | -29.9 | 0 | 0 | 0 | 109.2 | L821 S826 Y828 K897 | L821-D824 WeakPolarHBondContact O-CB 3.44Å; L821-D824 PolarHBondContact O-N 3.27Å; L821-D824 VanDerWaalsContact O-N 3.13Å; D824-S826 PolarHBondContact O-N 3.11Å; D824-S826 VanDerWaalsContact OD1-CB 3.23Å; D824-S826 WeakPolarHBondContact OD1-CB 3.44Å; D824-S826 PolarHBondContact OD1-N 3.13Å; D824-S826 PolarHBondContact OD1-OG 3.44Å; D824-Y828 HydrophobicContact CB-CE2 4.49Å; D824-Y828 VanDerWaalsContact CG-OH 3.31Å; D824-Y828 PolarHBondContact OD2-OH 2.96Å; D824-K897 VanDerWaalsContact OD2-CE 3.3Å; D824-K897 WeakPolarHBondContact OD2-CE 3.43Å; D824-K897 IonicContact OD2-NZ 3.75Å; D824-K897 PolarHBondContact OD2-NZ 3.35Å | ||
| 825 | P | 92.1 | Very high | 96 | Very high | 105 Ų | 105 | 32 Ų | 32 | 68% | 0.682 | 17% | 0.174 | S | C | * | . | trans | -71.2 | -17 | 178.3 | 29.4 | -36.3 | 0 | 0 | 0 | 113.2 | ||||
| 826 | S | 94.1 | Very high | 95.8 | Very high | 27 Ų | 27 | 33.9 Ų | 33.9 | 19% | 0.189 | 19% | 0.185 | C | C | . | . | trans | -71.1 | 144.4 | -176 | -39.5 | 0 | 0 | 0 | 0 | 110.9 | D824 Y828 | D824-S826 PolarHBondContact O-N 3.11Å; D824-S826 VanDerWaalsContact OD1-CB 3.23Å; D824-S826 WeakPolarHBondContact OD1-CB 3.44Å; D824-S826 PolarHBondContact OD1-N 3.13Å; D824-S826 PolarHBondContact OD1-OG 3.44Å; S826-Y828 VanDerWaalsContact CB-CZ 3.5Å; S826-Y828 WeakPolarHBondContact CB-OH 3.39Å | ||
| 827 | V | 95.4 | Very high | 95.3 | Very high | 18 Ų | 18 | 35.8 Ų | 35.8 | 11% | 0.109 | 19% | 0.191 | C | C | . | . | trans | -100.8 | 132.4 | 173.5 | -169.7 | 0 | 0 | 0 | 0 | 108.2 | Q727 V729 R820 H852 | Q727-V827 HydrophobicContact CG-CG1 4.09Å; V729-V827 HydrophobicContact CB-CG2 4.37Å; V729-V827 HydrophobicContact CG1-CG2 3.87Å; V729-V827 HydrophobicContact CG2-CB 3.71Å; V729-V827 HydrophobicContact CG2-CG1 4.3Å; V729-V827 HydrophobicContact CG2-CG2 3.57Å; R820-V827 HydrophobicContact CG-CB 4.42Å; R820-V827 HydrophobicContact CG-CG2 3.69Å; V827-H852 PolarHBondContact O-CD2 2.78Å | ||
| 828 | Y | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 150.1 | -175.3 | -59.7 | -64.6 | 0 | 0 | 0 | 111.4 | S818 C819 D824 S826 V850 F851 H852 V861 W893 K897 | S818-Y828 WeakPolarHBondContact CA-O 3.43Å; C819-Y828 PolarHBondContact N-O 2.89Å; C819-Y828 PolarHBondContact O-N 2.81Å; D824-Y828 HydrophobicContact CB-CE2 4.49Å; D824-Y828 VanDerWaalsContact CG-OH 3.31Å; D824-Y828 PolarHBondContact OD2-OH 2.96Å; S826-Y828 VanDerWaalsContact CB-CZ 3.5Å; S826-Y828 WeakPolarHBondContact CB-OH 3.39Å; Y828-V850 HydrophobicContact CD1-CG1 3.98Å; Y828-V850 HydrophobicContact CD2-CG1 4.13Å; Y828-V850 HydrophobicContact CG-CG1 3.66Å; Y828-F851 CarbonylContact C-O 3.54Å; Y828-F851 VanDerWaalsContact CA-O 3.28Å; Y828-F851 WeakPolarHBondContact CA-O 3.35Å; Y828-F851 WeakPolarHBondContact CB-O 3.38Å; Y828-H852 HydrophobicContact CD1-CB 3.85Å; Y828-H852 HydrophobicContact CE1-CB 3.91Å; Y828-V861 HydrophobicContact CD1-CG2 4.25Å; Y828-V861 HydrophobicContact CE1-CG1 4.37Å; Y828-V861 HydrophobicContact CE1-CG2 3.89Å; Y828-W893 AromaticContact CE2-CZ2 4Å; Y828-W893 HydrophobicContact CE2-CZ2 4Å; Y828-K897 PolarHBondContact OH-NZ 2.87Å |
| 829 | F | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 121.8 | 159.4 | -75 | -64.7 | 0 | 0 | 0 | 108.3 | C725 Q727 I816 F851 L858 | C725-F829 VanDerWaalsContact SG-CE1 3.59Å; Q727-F829 HydrophobicContact CB-CE1 3.88Å; Q727-F829 HydrophobicContact CB-CE2 4.24Å; Q727-F829 HydrophobicContact CB-CZ 3.48Å; Q727-F829 VanDerWaalsContact CB-CZ 3.48Å; Q727-F829 HydrophobicContact CG-CZ 4.24Å; Q727-F829 VanDerWaalsContact OE1-CE2 3.25Å; I816-F829 HydrophobicContact CD1-CD1 4.29Å; F829-F851 HydrophobicContact CB-CB 4.24Å; F829-F851 PolarHBondContact N-O 2.83Å; F829-F851 PolarHBondContact O-N 3.05Å; F829-L858 HydrophobicContact CD2-CD2 4.2Å |
| 830 | I | 98.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 123.7 | -179 | -50 | 175.5 | 0 | 0 | 0 | 108.2 | I816 V817 L821 I848 I849 V850 M873 L880 | I816-I830 CarbonylContact C-O 3.6Å; I816-I830 VanDerWaalsContact CA-O 3.28Å; I816-I830 WeakPolarHBondContact CA-O 3.47Å; V817-I830 HydrophobicContact CG1-CB 3.81Å; V817-I830 HydrophobicContact CG1-CD1 4.25Å; V817-I830 HydrophobicContact CG1-CG1 4.36Å; V817-I830 PolarHBondContact N-O 2.96Å; V817-I830 PolarHBondContact O-N 3.5Å; L821-I830 HydrophobicContact CD1-CD1 3.52Å; L821-I830 HydrophobicContact CG-CD1 4.12Å; I830-I848 HydrophobicContact CG2-CG2 3.58Å; I830-I849 CarbonylContact C-O 3.58Å; I830-I849 WeakPolarHBondContact CA-O 3.44Å; I830-V850 HydrophobicContact CG1-CG1 4.31Å; I830-V850 HydrophobicContact CG1-CG2 4.32Å; I830-V850 HydrophobicContact CG2-CG2 4.22Å; I830-M873 HydrophobicContact CB-CE 4.47Å; I830-M873 HydrophobicContact CG2-CE 3.98Å; I830-M873 HydrophobicContact CG2-SD 4.22Å; I830-M873 WeakPolarHBondContact O-CE 3.42Å; I830-L880 HydrophobicContact CD1-CD1 4.14Å; I830-L880 HydrophobicContact CD1-CD2 4.35Å; I830-L880 HydrophobicContact CG2-CD2 3.94Å |
| 831 | V | 98.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 132.3 | -175.9 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | L736 L791 F807 S815 I816 T833 I848 I849 F851 | L736-V831 HydrophobicContact CD1-CG1 4.26Å; L736-V831 HydrophobicContact CD2-CG1 3.91Å; L736-V831 HydrophobicContact CD2-CG2 4.15Å; L791-V831 HydrophobicContact CD2-CG2 4Å; F807-V831 HydrophobicContact CE1-CG1 4.22Å; F807-V831 HydrophobicContact CZ-CB 4.38Å; F807-V831 HydrophobicContact CZ-CG1 3.77Å; F807-V831 HydrophobicContact CZ-CG2 4.4Å; S815-V831 WeakPolarHBondContact O-CA 3.24Å; I816-V831 HydrophobicContact CD1-CG2 4.36Å; I816-V831 HydrophobicContact CG1-CG2 4.15Å; V831-T833 HydrophobicContact CG1-CG2 4.05Å; V831-I848 CarbonylContact O-C 3.58Å; V831-I848 WeakPolarHBondContact O-CA 3.24Å; V831-I849 PolarHBondContact N-O 2.65Å; V831-I849 PolarHBondContact O-N 3.17Å; V831-F851 HydrophobicContact CB-CE2 4.29Å; V831-F851 HydrophobicContact CG2-CD2 4.08Å; V831-F851 HydrophobicContact CG2-CE2 3.94Å |
| 832 | G | 98.1 | Very high | 93 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 132.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L814 S815 | L814-G832 PolarHBondContact N-O 3.01Å; S815-G832 PolarHBondContact N-O 3.46Å; S815-G832 PolarHBondContact O-N 3.16Å; S815-G832 WeakPolarHBondContact OG-CA 3.43Å |
| 833 | T | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 166 | -172.1 | 61.6 | 0 | 0 | 0 | 0 | 112.4 | F807 E811 Y812 V831 G846 R847 I849 V870 | F807-T833 HydrophobicContact CD1-CG2 4.33Å; F807-T833 HydrophobicContact CE1-CG2 4.33Å; E811-T833 HydrophobicContact CG-CG2 4.24Å; E811-T833 WeakPolarHBondContact OE1-CB 3.35Å; E811-T833 PolarHBondContact OE1-OG1 3Å; E811-T833 VanDerWaalsContact OE1-OG1 3.06Å; Y812-T833 CarbonylContact O-C 3.59Å; Y812-T833 WeakPolarHBondContact O-CA 3.38Å; Y812-T833 WeakPolarHBondContact O-CB 3.34Å; V831-T833 HydrophobicContact CG1-CG2 4.05Å; T833-G846 WeakPolarHBondContact O-CA 3.32Å; T833-R847 PolarHBondContact N-O 3.19Å; T833-R847 WeakPolarHBondContact OG1-CG 3.46Å; T833-R847 PolarHBondContact OG1-N 3.4Å; T833-R847 VanDerWaalsContact OG1-N 3.13Å; T833-R847 PolarHBondContact OG1-O 3.17Å; T833-I849 HydrophobicContact CG2-CD1 4.17Å; T833-V870 PolarHBondContact O-N 3.05Å |
| 834 | A | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 143.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | E811 Y812 L814 V836 P843 A869 | E811-A834 CarbonylContact C-O 3.59Å; E811-A834 WeakPolarHBondContact CA-O 3.05Å; Y812-A834 PolarHBondContact N-O 2.79Å; Y812-A834 PolarHBondContact O-N 3.34Å; L814-A834 HydrophobicContact CD1-CB 3.83Å; A834-V836 HydrophobicContact CB-CG2 4.34Å; A834-P843 HydrophobicContact CB-CB 4.05Å; A834-P843 HydrophobicContact CB-CG 4.22Å; A834-A869 HydrophobicContact CB-CB 3.51Å |
| 835 | M | 94.5 | Very high | 93 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 3% | 0.034 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 116 | 169.1 | -61 | -57.8 | -58.2 | 0 | 0 | 108.9 | F771 P809 E811 Y837 P843 Q845 | F771-M835 HydrophobicContact CD2-CG 4.27Å; F771-M835 HydrophobicContact CD2-SD 4.09Å; F771-M835 HydrophobicContact CE2-CG 4.25Å; F771-M835 HydrophobicContact CE2-SD 4.25Å; P809-M835 WeakPolarHBondContact O-CE 3.04Å; E811-M835 HydrophobicContact CB-CE 4.4Å; E811-M835 HydrophobicContact CB-SD 3.75Å; E811-M835 HydrophobicContact CG-SD 3.93Å; M835-Y837 HydrophobicContact CB-CE2 3.95Å; M835-P843 WeakPolarHBondContact O-CB 3.25Å; M835-Q845 HydrophobicContact CB-CB 4.07Å; M835-Q845 HydrophobicContact CG-CB 3.98Å; M835-Q845 PolarHBondContact N-O 2.87Å |
| 836 | V | 92.3 | Very high | 93.2 | Very high | 44 Ų | 44 | 44.8 Ų | 44.8 | 27% | 0.267 | 24% | 0.238 | S | C | . | . | trans | -111.2 | 120.6 | -172.8 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | S810 Y812 A834 P843 | S810-V836 PolarHBondContact O-N 2.81Å; Y812-V836 HydrophobicContact CD1-CB 3.79Å; Y812-V836 HydrophobicContact CD1-CG2 3.72Å; Y812-V836 HydrophobicContact CD2-CB 4.49Å; Y812-V836 HydrophobicContact CD2-CG2 3.96Å; Y812-V836 HydrophobicContact CE1-CB 3.92Å; Y812-V836 HydrophobicContact CE1-CG1 4.43Å; Y812-V836 HydrophobicContact CE1-CG2 4.29Å; Y812-V836 HydrophobicContact CE2-CG2 4.48Å; Y812-V836 HydrophobicContact CG-CB 4.12Å; Y812-V836 HydrophobicContact CG-CG2 3.55Å; A834-V836 HydrophobicContact CB-CG2 4.34Å; V836-P843 HydrophobicContact CG2-CG 4.2Å | ||
| 837 | Y | 88.4 | Confident | 93.3 | Very high | 59 Ų | 59 | 43.6 Ų | 43.6 | 23% | 0.231 | 23% | 0.23 | C | C | . | . | trans | -122.7 | 133.1 | 176.6 | -58.1 | -70.4 | 0 | 0 | 0 | 109.2 | M835 E839 E840 | M835-Y837 HydrophobicContact CB-CE2 3.95Å; Y837-E839 PolarHBondContact O-N 3.12Å; Y837-E839 VanDerWaalsContact O-N 3.12Å; Y837-E840 PolarHBondContact O-N 3.09Å | ||
| 838 | P | 83.6 | Confident | 93.4 | Very high | 137 Ų | 137 | 42.8 Ų | 42.8 | 89% | 0.89 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -27.6 | -177.5 | -27.9 | 35.5 | 0 | 0 | 0 | 115.1 | E840 | P838-E840 VanDerWaalsContact C-N 3.33Š|
| 839 | E | 83.6 | Confident | 93.4 | Very high | 159 Ų | 159 | 42.9 Ų | 42.9 | 74% | 0.743 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -18.2 | 178.7 | -61.2 | -165.7 | -136 | 0 | 0 | 113.6 | H778 Y837 | H778-E839 IonicContact ND1-OE1 3.89Å; Y837-E839 PolarHBondContact O-N 3.12Å; Y837-E839 VanDerWaalsContact O-N 3.12Å |
| 840 | E | 87.9 | Confident | 93.4 | Very high | 61 Ų | 61 | 42.9 Ų | 42.9 | 29% | 0.285 | 23% | 0.225 | S | C | . | . | trans | -95.2 | 128.4 | -178 | -61.8 | -157.7 | 135.2 | 0 | 0 | 111 | Y837 P838 E842 K844 | Y837-E840 PolarHBondContact O-N 3.09Å; P838-E840 VanDerWaalsContact C-N 3.33Å; E840-E842 PolarHBondContact O-N 2.88Å; E840-K844 WeakPolarHBondContact OE1-CE 3.07Å; E840-K844 IonicContact OE1-NZ 3.55Å; E840-K844 PolarHBondContact OE1-NZ 2.79Å | ||
| 841 | P | 87.1 | Confident | 93.4 | Very high | 137 Ų | 137 | 42.9 Ų | 42.9 | 89% | 0.89 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -71 | -22.6 | 177.9 | 29.4 | -35.6 | 0 | 0 | 0 | 112.8 | ||
| 842 | E | 90.1 | Very high | 93.3 | Very high | 67 Ų | 67 | 45.2 Ų | 45.2 | 31% | 0.313 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -147.6 | 138.6 | 177.4 | -172.9 | -177.4 | -165.3 | 0 | 0 | 109.7 | E840 K844 N885 M910 | E840-E842 PolarHBondContact O-N 2.88Å; E842-K844 PolarHBondContact O-N 3.01Å; E842-N885 VanDerWaalsContact CD-ND2 3.31Å; E842-N885 VanDerWaalsContact OE1-CB 3.27Å; E842-N885 WeakPolarHBondContact OE1-CB 3.44Å; E842-N885 PolarHBondContact OE1-ND2 2.69Å; E842-M910 HydrophobicContact CG-CE 4.46Å; E842-M910 WeakPolarHBondContact OE1-CE 3.36Å |
| 843 | P | 92.8 | Very high | 93.1 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 15% | 0.149 | 24% | 0.241 | C | C | . | . | trans | -59.7 | 127.7 | 175.3 | -25.8 | 36.4 | 0 | 0 | 0 | 112.4 | A834 M835 V836 G868 A869 N885 | A834-P843 HydrophobicContact CB-CB 4.05Å; A834-P843 HydrophobicContact CB-CG 4.22Å; M835-P843 WeakPolarHBondContact O-CB 3.25Å; V836-P843 HydrophobicContact CG2-CG 4.2Å; P843-G868 WeakPolarHBondContact O-CA 3.21Å; P843-A869 HydrophobicContact CB-CB 4.1Å; P843-A869 HydrophobicContact CG-CB 4.15Å; P843-N885 PolarHBondContact O-ND2 2.6Å; P843-N885 VanDerWaalsContact O-ND2 3.08Å | ||
| 844 | K | 92.4 | Very high | 92.8 | Very high | 125 Ų | 125 | 48.4 Ų | 48.4 | 54% | 0.543 | 25% | 0.252 | S | S | . | . | trans | -97.2 | -12.6 | 176.1 | -62.8 | 175.9 | -166.5 | 140.4 | 0 | 113.8 | E840 E842 K867 G868 | E840-K844 WeakPolarHBondContact OE1-CE 3.07Å; E840-K844 IonicContact OE1-NZ 3.55Å; E840-K844 PolarHBondContact OE1-NZ 2.79Å; E842-K844 PolarHBondContact O-N 3.01Å; K844-K867 CarbonylContact O-C 3.6Å; K844-K867 VanDerWaalsContact O-CA 3.24Å; K844-K867 WeakPolarHBondContact O-CA 3.43Å; K844-G868 PolarHBondContact O-N 2.8Å | ||
| 845 | Q | 94.1 | Very high | 92.2 | Very high | 77 Ų | 77 | 56 Ų | 56 | 36% | 0.36 | 29% | 0.293 | S | S | . | . | trans | -132 | 147 | -174.3 | -65.6 | 175.8 | -9.2 | 0 | 0 | 110.1 | F771 M835 | F771-Q845 HydrophobicContact CD1-CB 4.41Å; F771-Q845 HydrophobicContact CE1-CB 4.04Å; F771-Q845 HydrophobicContact CE1-CG 4.5Å; M835-Q845 HydrophobicContact CB-CB 4.07Å; M835-Q845 HydrophobicContact CG-CB 3.98Å; M835-Q845 PolarHBondContact N-O 2.87Å | ||
| 846 | G | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.8 | 177.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | T833 V866 G868 | T833-G846 WeakPolarHBondContact O-CA 3.32Å; G846-V866 VanDerWaalsContact C-CG2 3.47Å; G846-V866 PolarHBondContact N-O 3.15Å; G846-V866 WeakPolarHBondContact O-CG2 3.42Å; G846-V866 PolarHBondContact O-N 2.94Å; G846-G868 WeakPolarHBondContact CA-O 2.95Å; G846-G868 PolarHBondContact N-O 3.49Å |
| 847 | R | 96.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.008 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 156.9 | 177.7 | 55.4 | 175.6 | 179.4 | 161.1 | 9.7 | 112.8 | S766 F771 E811 T833 I849 E863 K864 | S766-R847 PolarHBondContact OG-NH1 2.8Å; S766-R847 VanDerWaalsContact OG-NH1 3.13Å; S766-R847 PolarHBondContact OG-NH2 2.88Å; F771-R847 HydrophobicContact CE2-CG 4.2Å; F771-R847 HydrophobicContact CZ-CB 4.36Å; F771-R847 HydrophobicContact CZ-CG 4.49Å; E811-R847 WeakPolarHBondContact OE1-CG 3.47Å; E811-R847 IonicContact OE1-CZ 2.71Å; E811-R847 IonicContact OE1-NE 3.44Å; E811-R847 PolarHBondContact OE1-NE 2.71Å; E811-R847 IonicContact OE1-NH2 3.17Å; E811-R847 PolarHBondContact OE1-NH2 3.42Å; E811-R847 IonicContact OE2-CZ 3.5Å; E811-R847 IonicContact OE2-NE 3.57Å; E811-R847 IonicContact OE2-NH2 3.67Å; E811-R847 PolarHBondContact OE2-NH2 2.88Å; T833-R847 PolarHBondContact N-O 3.19Å; T833-R847 WeakPolarHBondContact OG1-CG 3.46Å; T833-R847 PolarHBondContact OG1-N 3.4Å; T833-R847 VanDerWaalsContact OG1-N 3.13Å; T833-R847 PolarHBondContact OG1-O 3.17Å; R847-I849 HydrophobicContact CG-CD1 4.23Å; R847-I849 HydrophobicContact CG-CG1 4.05Å; R847-E863 WeakPolarHBondContact CD-OE1 3.49Å; R847-E863 IonicContact CZ-OE1 3.5Å; R847-E863 IonicContact NE-OE1 3.34Å; R847-E863 IonicContact NH1-OE1 2.9Å; R847-E863 PolarHBondContact NH1-OE1 3.45Å; R847-K864 CarbonylContact C-O 3.56Å; R847-K864 VanDerWaalsContact CA-O 3.24Å; R847-K864 WeakPolarHBondContact CA-O 3.25Å; R847-K864 WeakPolarHBondContact CB-O 3.45Å |
| 848 | I | 98 | Very high | 91.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 124.8 | 169.8 | -56.9 | 173.3 | 0 | 0 | 0 | 107.6 | I830 V831 E863 K864 V866 V870 M873 L880 A882 Y891 L899 | I830-I848 HydrophobicContact CG2-CG2 3.58Å; V831-I848 CarbonylContact O-C 3.58Å; V831-I848 WeakPolarHBondContact O-CA 3.24Å; I848-E863 CarbonylContact O-C 3.57Å; I848-E863 WeakPolarHBondContact O-CA 3.49Å; I848-K864 HydrophobicContact CB-CB 4.35Å; I848-K864 PolarHBondContact N-O 2.94Å; I848-K864 PolarHBondContact O-N 2.88Å; I848-V866 HydrophobicContact CD1-CG1 4.32Å; I848-V866 HydrophobicContact CG1-CG1 4.43Å; I848-V870 HydrophobicContact CG1-CG1 4.33Å; I848-V870 HydrophobicContact CG1-CG2 3.93Å; I848-M873 HydrophobicContact CD1-SD 4.35Å; I848-M873 HydrophobicContact CG1-SD 4.26Å; I848-M873 HydrophobicContact CG2-SD 3.95Å; I848-L880 HydrophobicContact CG2-CD2 4.11Å; I848-A882 HydrophobicContact CD1-CB 4.18Å; I848-Y891 HydrophobicContact CD1-CD2 4.33Å; I848-Y891 HydrophobicContact CD1-CE2 3.84Å; I848-L899 HydrophobicContact CB-CD1 4.27Å; I848-L899 HydrophobicContact CG2-CD1 3.67Å |
| 849 | I | 97.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 129.8 | -175.5 | -47.5 | 163.3 | 0 | 0 | 0 | 108.6 | F807 I830 V831 T833 R847 F851 T860 E863 | F807-I849 HydrophobicContact CD1-CD1 4.03Å; F807-I849 HydrophobicContact CE1-CD1 3.79Å; I830-I849 CarbonylContact C-O 3.58Å; I830-I849 WeakPolarHBondContact CA-O 3.44Å; V831-I849 PolarHBondContact N-O 2.65Å; V831-I849 PolarHBondContact O-N 3.17Å; T833-I849 HydrophobicContact CG2-CD1 4.17Å; R847-I849 HydrophobicContact CG-CD1 4.23Å; R847-I849 HydrophobicContact CG-CG1 4.05Å; I849-F851 HydrophobicContact CB-CD2 4.49Å; I849-F851 HydrophobicContact CB-CE2 3.82Å; I849-F851 HydrophobicContact CB-CZ 4.13Å; I849-F851 HydrophobicContact CD1-CZ 4.41Å; I849-F851 HydrophobicContact CG2-CD1 4.47Å; I849-F851 HydrophobicContact CG2-CD2 4.08Å; I849-F851 HydrophobicContact CG2-CE1 3.93Å; I849-F851 HydrophobicContact CG2-CE2 3.48Å; I849-F851 VanDerWaalsContact CG2-CE2 3.48Å; I849-F851 HydrophobicContact CG2-CZ 3.4Å; I849-T860 HydrophobicContact CG2-CG2 3.84Å; I849-E863 HydrophobicContact CG1-CG 4.5Å |
| 850 | V | 97.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 119.4 | 178.2 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | Y828 I830 V861 A862 W893 L899 | Y828-V850 HydrophobicContact CD1-CG1 3.98Å; Y828-V850 HydrophobicContact CD2-CG1 4.13Å; Y828-V850 HydrophobicContact CG-CG1 3.66Å; I830-V850 HydrophobicContact CG1-CG1 4.31Å; I830-V850 HydrophobicContact CG1-CG2 4.32Å; I830-V850 HydrophobicContact CG2-CG2 4.22Å; V850-V861 HydrophobicContact CG1-CB 4.28Å; V850-V861 PolarHBondContact O-N 2.97Å; V850-A862 HydrophobicContact CB-CB 4.04Å; V850-A862 HydrophobicContact CG2-CB 4.08Å; V850-A862 PolarHBondContact N-O 3.16Å; V850-A862 PolarHBondContact O-N 3.11Å; V850-W893 HydrophobicContact CG1-CH2 4.18Å; V850-W893 HydrophobicContact CG2-CH2 4.44Å; V850-W893 HydrophobicContact CG2-CZ3 4.12Å; V850-L899 HydrophobicContact CG2-CD1 4.11Å |
| 851 | F | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 145.1 | 178 | -61.7 | -82.1 | 0 | 0 | 0 | 111.8 | L791 H805 F807 Y828 F829 V831 I849 L858 Q859 T860 | L791-F851 HydrophobicContact CD2-CD2 3.82Å; L791-F851 HydrophobicContact CD2-CE2 4.01Å; L791-F851 HydrophobicContact CD2-CG 4.35Å; H805-F851 AromaticContact CD2-CE1 3.74Å; H805-F851 AromaticContact CD2-CZ 3.48Å; H805-F851 VanDerWaalsContact CD2-CZ 3.48Å; H805-F851 WeakPolarHBondContact CD2-CZ 3.49Å; H805-F851 AromaticContact CE1-CE1 3.94Å; H805-F851 AromaticContact NE2-CE1 3.65Å; H805-F851 AromaticContact NE2-CZ 3.56Å; F807-F851 HydrophobicContact CE1-CE2 4.3Å; F807-F851 HydrophobicContact CE1-CZ 4.23Å; Y828-F851 CarbonylContact C-O 3.54Å; Y828-F851 VanDerWaalsContact CA-O 3.28Å; Y828-F851 WeakPolarHBondContact CA-O 3.35Å; Y828-F851 WeakPolarHBondContact CB-O 3.38Å; F829-F851 HydrophobicContact CB-CB 4.24Å; F829-F851 PolarHBondContact N-O 2.83Å; F829-F851 PolarHBondContact O-N 3.05Å; V831-F851 HydrophobicContact CB-CE2 4.29Å; V831-F851 HydrophobicContact CG2-CD2 4.08Å; V831-F851 HydrophobicContact CG2-CE2 3.94Å; I849-F851 HydrophobicContact CB-CD2 4.49Å; I849-F851 HydrophobicContact CB-CE2 3.82Å; I849-F851 HydrophobicContact CB-CZ 4.13Å; I849-F851 HydrophobicContact CD1-CZ 4.41Å; I849-F851 HydrophobicContact CG2-CD1 4.47Å; I849-F851 HydrophobicContact CG2-CD2 4.08Å; I849-F851 HydrophobicContact CG2-CE1 3.93Å; I849-F851 HydrophobicContact CG2-CE2 3.48Å; I849-F851 VanDerWaalsContact CG2-CE2 3.48Å; I849-F851 HydrophobicContact CG2-CZ 3.4Å; F851-L858 HydrophobicContact CB-CD2 4.01Å; F851-L858 HydrophobicContact CD1-CB 4.38Å; F851-Q859 CarbonylContact C-O 3.59Å; F851-Q859 VanDerWaalsContact CA-O 3.3Å; F851-Q859 WeakPolarHBondContact CA-O 3.33Å; F851-T860 WeakPolarHBondContact CE1-OG1 3.35Å |
| 852 | H | 96.2 | Very high | 93.8 | Very high | 49 Ų | 49 | 47.2 Ų | 47.2 | 23% | 0.227 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 122.9 | 169.7 | -170.9 | -149.5 | 0 | 0 | 0 | 109.1 | V827 Y828 T854 Q859 V861 | V827-H852 PolarHBondContact O-CD2 2.78Å; Y828-H852 HydrophobicContact CD1-CB 3.85Å; Y828-H852 HydrophobicContact CE1-CB 3.91Å; H852-T854 WeakPolarHBondContact CE1-CG2 3.28Å; H852-T854 WeakPolarHBondContact ND1-CG2 3.49Å; H852-Q859 PolarHBondContact N-O 3.06Å; H852-Q859 PolarHBondContact O-N 3.31Å; H852-V861 HydrophobicContact CB-CG2 3.59Å |
| 853 | Y | 94.9 | Very high | 94.1 | Very high | 30 Ų | 30 | 47.2 Ų | 47.2 | 12% | 0.118 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 111.4 | 176.5 | -174.2 | -112.9 | 0 | 0 | 0 | 109.5 | V793 L802 H803 G856 L858 | V793-Y853 HydrophobicContact CB-CD2 4.49Å; V793-Y853 HydrophobicContact CB-CE2 4.2Å; V793-Y853 HydrophobicContact CG1-CD1 4.32Å; V793-Y853 HydrophobicContact CG1-CD2 4.1Å; V793-Y853 HydrophobicContact CG1-CE1 4.04Å; V793-Y853 HydrophobicContact CG1-CE2 3.82Å; V793-Y853 HydrophobicContact CG1-CG 4.34Å; V793-Y853 HydrophobicContact CG2-CD2 4.04Å; V793-Y853 HydrophobicContact CG2-CE2 4.18Å; L802-Y853 WeakPolarHBondContact CD1-OH 3.27Å; H803-Y853 HydrophobicContact CB-CE2 4.24Å; Y853-G856 WeakPolarHBondContact OH-CA 3.45Å; Y853-L858 HydrophobicContact CD2-CD2 3.88Å; Y853-L858 HydrophobicContact CD2-CG 4.11Å; Y853-L858 HydrophobicContact CG-CD2 4.34Å |
| 854 | T | 91.3 | Very high | 94.2 | Very high | 37 Ų | 37 | 49.4 Ų | 49.4 | 23% | 0.227 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 142.2 | -179.6 | 43.1 | 0 | 0 | 0 | 0 | 110.3 | H852 G856 K857 | H852-T854 WeakPolarHBondContact CE1-CG2 3.28Å; H852-T854 WeakPolarHBondContact ND1-CG2 3.49Å; T854-G856 PolarHBondContact O-N 2.95Å; T854-G856 VanDerWaalsContact O-N 3.16Å; T854-K857 PolarHBondContact N-O 3.06Å; T854-K857 PolarHBondContact O-N 3.36Å |
| 855 | D | 84.6 | Confident | 94.4 | Very high | 161 Ų | 161 | 48.1 Ų | 48.1 | 86% | 0.861 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 39.8 | 177.1 | -55.7 | -35.7 | 0 | 0 | 0 | 113.8 | K857 | D855-K857 VanDerWaalsContact C-N 3.28Å; D855-K857 PolarHBondContact O-N 3.49Å |
| 856 | G | 83.8 | Confident | 94.5 | Very high | 32 Ų | 32 | 44.6 Ų | 44.6 | 33% | 0.33 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 8.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | S762 Y853 T854 | S762-G856 PolarHBondContact OG-O 3.18Å; Y853-G856 WeakPolarHBondContact OH-CA 3.45Å; T854-G856 PolarHBondContact O-N 2.95Å; T854-G856 VanDerWaalsContact O-N 3.16Å |
| 857 | K | 91.4 | Very high | 94.5 | Very high | 126 Ų | 126 | 52.9 Ų | 52.9 | 55% | 0.548 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 147.8 | -177.3 | -65.2 | -178.8 | -178.6 | 178.9 | 0 | 112.4 | T854 D855 | T854-K857 PolarHBondContact N-O 3.06Å; T854-K857 PolarHBondContact O-N 3.36Å; D855-K857 VanDerWaalsContact C-N 3.28Å; D855-K857 PolarHBondContact O-N 3.49Å |
| 858 | L | 94.2 | Very high | 94.4 | Very high | 15 Ų | 15 | 52.8 Ų | 52.8 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 127.6 | 168.6 | -74 | 175.9 | 0 | 0 | 0 | 110.7 | L791 V793 H805 F829 F851 Y853 | L791-L858 HydrophobicContact CD2-CD1 3.54Å; L791-L858 HydrophobicContact CG-CD1 3.9Å; V793-L858 HydrophobicContact CG2-CD1 3.7Å; V793-L858 HydrophobicContact CG2-CD2 3.89Å; V793-L858 HydrophobicContact CG2-CG 3.78Å; H805-L858 HydrophobicContact CB-CD1 3.95Å; F829-L858 HydrophobicContact CD2-CD2 4.2Å; F851-L858 HydrophobicContact CB-CD2 4.01Å; F851-L858 HydrophobicContact CD1-CB 4.38Å; Y853-L858 HydrophobicContact CD2-CD2 3.88Å; Y853-L858 HydrophobicContact CD2-CG 4.11Å; Y853-L858 HydrophobicContact CG-CD2 4.34Å |
| 859 | Q | 94.5 | Very high | 94.3 | Very high | 106 Ų | 106 | 52.8 Ų | 52.8 | 50% | 0.495 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129 | 172.3 | -61.7 | -175.7 | 3.8 | 0 | 0 | 109.8 | F851 H852 V861 | F851-Q859 CarbonylContact C-O 3.59Å; F851-Q859 VanDerWaalsContact CA-O 3.3Å; F851-Q859 WeakPolarHBondContact CA-O 3.33Å; H852-Q859 PolarHBondContact N-O 3.06Å; H852-Q859 PolarHBondContact O-N 3.31Å; Q859-V861 PolarHBondContact O-N 3.01Å |
| 860 | T | 96.1 | Very high | 94.3 | Very high | 79 Ų | 79 | 52.7 Ų | 52.7 | 49% | 0.485 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 118.3 | 172.9 | -52.8 | 0 | 0 | 0 | 0 | 109.8 | I849 F851 | I849-T860 HydrophobicContact CG2-CG2 3.84Å; F851-T860 WeakPolarHBondContact CE1-OG1 3.35Å |
| 861 | V | 95.6 | Very high | 94.3 | Very high | 49 Ų | 49 | 54.8 Ų | 54.8 | 30% | 0.297 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -46.8 | -179 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | Y828 V850 H852 Q859 W893 K897 | Y828-V861 HydrophobicContact CD1-CG2 4.25Å; Y828-V861 HydrophobicContact CE1-CG1 4.37Å; Y828-V861 HydrophobicContact CE1-CG2 3.89Å; V850-V861 HydrophobicContact CG1-CB 4.28Å; V850-V861 PolarHBondContact O-N 2.97Å; H852-V861 HydrophobicContact CB-CG2 3.59Å; Q859-V861 PolarHBondContact O-N 3.01Å; V861-W893 HydrophobicContact CG1-CH2 4.24Å; V861-W893 HydrophobicContact CG1-CZ2 4.43Å; V861-K897 HydrophobicContact CG1-CB 4.26Å; V861-K897 HydrophobicContact CG1-CD 4Å |
| 862 | A | 95.4 | Very high | 94.3 | Very high | 12 Ų | 12 | 55.7 Ų | 55.7 | 10% | 0.099 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 154.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V850 W893 K897 | V850-A862 HydrophobicContact CB-CB 4.04Å; V850-A862 HydrophobicContact CG2-CB 4.08Å; V850-A862 PolarHBondContact N-O 3.16Å; V850-A862 PolarHBondContact O-N 3.11Å; A862-W893 HydrophobicContact CB-CH2 3.86Å; A862-W893 HydrophobicContact CB-CZ3 3.95Å; A862-K897 VanDerWaalsContact CB-O 3.3Å; A862-K897 WeakPolarHBondContact CB-O 3.21Å |
| 863 | E | 95.2 | Very high | 94.3 | Very high | 67 Ų | 67 | 54 Ų | 54 | 31% | 0.313 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 132.9 | 177.5 | -172.3 | -177.1 | -167.1 | 0 | 0 | 108.9 | S768 L770 R847 I848 I849 | S768-E863 VanDerWaalsContact CB-OE1 3.23Å; S768-E863 WeakPolarHBondContact CB-OE1 3.46Å; S768-E863 VanDerWaalsContact OG-CD 3.23Å; S768-E863 PolarHBondContact OG-OE1 3.14Å; S768-E863 PolarHBondContact OG-OE2 2.62Å; L770-E863 HydrophobicContact CD1-CG 3.68Å; L770-E863 VanDerWaalsContact CD1-OE1 3.24Å; L770-E863 WeakPolarHBondContact CD1-OE1 3.34Å; R847-E863 WeakPolarHBondContact CD-OE1 3.49Å; R847-E863 IonicContact CZ-OE1 3.5Å; R847-E863 IonicContact NE-OE1 3.34Å; R847-E863 IonicContact NH1-OE1 2.9Å; R847-E863 PolarHBondContact NH1-OE1 3.45Å; I848-E863 CarbonylContact O-C 3.57Å; I848-E863 WeakPolarHBondContact O-CA 3.49Å; I849-E863 HydrophobicContact CG1-CG 4.5Å |
| 864 | K | 96.2 | Very high | 94.5 | Very high | 69 Ų | 69 | 53.9 Ų | 53.9 | 30% | 0.3 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 115.3 | -179.1 | -174.4 | 66.1 | 174 | -160.9 | 0 | 110.8 | R847 I848 Y891 L899 | R847-K864 CarbonylContact C-O 3.56Å; R847-K864 VanDerWaalsContact CA-O 3.24Å; R847-K864 WeakPolarHBondContact CA-O 3.25Å; R847-K864 WeakPolarHBondContact CB-O 3.45Å; I848-K864 HydrophobicContact CB-CB 4.35Å; I848-K864 PolarHBondContact N-O 2.94Å; I848-K864 PolarHBondContact O-N 2.88Å; K864-Y891 HydrophobicContact CG-CE1 4.21Å; K864-L899 HydrophobicContact CB-CB 4.33Å; K864-L899 HydrophobicContact CB-CD1 4.32Å; K864-L899 WeakPolarHBondContact CE-O 3.37Å; K864-L899 HydrophobicContact CG-CB 4.35Å; K864-L899 PolarHBondContact NZ-O 3.02Å; K864-L899 VanDerWaalsContact NZ-O 3.09Å |
| 865 | E | 96.1 | Very high | 94.7 | Very high | 97 Ų | 97 | 55.6 Ų | 55.6 | 45% | 0.453 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 139.3 | 173.5 | -165.5 | -171.4 | 158.3 | 0 | 0 | 111.5 | L770 F771 | L770-E865 HydrophobicContact CD1-CB 4.29Å; F771-E865 HydrophobicContact CE1-CG 3.91Å; F771-E865 HydrophobicContact CZ-CG 4.17Å |
| 866 | V | 95.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.024 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 154.7 | 172.7 | -61.9 | 0 | 0 | 0 | 0 | 111.3 | G846 I848 G868 V870 I884 Y891 | G846-V866 VanDerWaalsContact C-CG2 3.47Å; G846-V866 PolarHBondContact N-O 3.15Å; G846-V866 WeakPolarHBondContact O-CG2 3.42Å; G846-V866 PolarHBondContact O-N 2.94Å; I848-V866 HydrophobicContact CD1-CG1 4.32Å; I848-V866 HydrophobicContact CG1-CG1 4.43Å; V866-G868 PolarHBondContact O-N 3.43Å; V866-V870 HydrophobicContact CG2-CG2 3.58Å; V866-I884 HydrophobicContact CB-CG1 4.39Å; V866-I884 HydrophobicContact CB-CG2 4.3Å; V866-I884 HydrophobicContact CG1-CG1 4.44Å; V866-I884 HydrophobicContact CG2-CG1 4.39Å; V866-I884 HydrophobicContact CG2-CG2 4.24Å; V866-Y891 WeakPolarHBondContact CG1-OH 3.22Å |
| 867 | K | 94.9 | Very high | 95.7 | Very high | 174 Ų | 174 | 51 Ų | 51 | 76% | 0.757 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -95.3 | 72.1 | 179.3 | -61.5 | -176.6 | -178.9 | -177 | 0 | 110.9 | K844 | K844-K867 CarbonylContact O-C 3.6Å; K844-K867 VanDerWaalsContact O-CA 3.24Å; K844-K867 WeakPolarHBondContact O-CA 3.43Å |
| 868 | G | 94.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 148.4 | -178.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P843 K844 G846 V866 | P843-G868 WeakPolarHBondContact O-CA 3.21Å; K844-G868 PolarHBondContact O-N 2.8Å; G846-G868 WeakPolarHBondContact CA-O 2.95Å; G846-G868 PolarHBondContact N-O 3.49Å; V866-G868 PolarHBondContact O-N 3.43Å |
| 869 | A | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -79.8 | 131.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L814 A834 P843 Y871 I884 N885 | L814-A869 HydrophobicContact CD1-CB 3.86Å; A834-A869 HydrophobicContact CB-CB 3.51Å; P843-A869 HydrophobicContact CB-CB 4.1Å; P843-A869 HydrophobicContact CG-CB 4.15Å; A869-Y871 HydrophobicContact CB-CD1 4.4Å; A869-Y871 HydrophobicContact CB-CE1 3.94Å; A869-Y871 HydrophobicContact CB-CE2 4.2Å; A869-Y871 PolarHBondContact O-N 3.34Å; A869-I884 VanDerWaalsContact O-CA 3.29Å; A869-I884 WeakPolarHBondContact O-CA 3.43Å; A869-N885 PolarHBondContact N-OD1 2.9Å; A869-N885 PolarHBondContact O-N 3.27Å; A869-N885 PolarHBondContact O-OD1 2.87Å | ||
| 870 | V | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 86.4 | 175 | -170.9 | 0 | 0 | 0 | 0 | 110.1 | L814 S815 T833 I848 V866 M873 A882 S883 I884 | L814-V870 WeakPolarHBondContact CB-O 3.08Å; S815-V870 PolarHBondContact OG-O 3.13Å; T833-V870 PolarHBondContact O-N 3.05Å; I848-V870 HydrophobicContact CG1-CG1 4.33Å; I848-V870 HydrophobicContact CG1-CG2 3.93Å; V866-V870 HydrophobicContact CG2-CG2 3.58Å; V870-M873 HydrophobicContact CG1-CG 3.62Å; V870-M873 HydrophobicContact CG1-SD 3.83Å; V870-A882 HydrophobicContact CG1-CB 4.42Å; V870-S883 CarbonylContact C-O 3.57Å; V870-S883 WeakPolarHBondContact CA-O 3.36Å; V870-I884 HydrophobicContact CG2-CG1 4.11Å |
| 871 | Y | 97.2 | Very high | 96.1 | Very high | 43 Ų | 43 | 38.3 Ų | 38.3 | 17% | 0.169 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | -43.2 | -172.5 | -69.5 | -61.2 | 0 | 0 | 0 | 113.8 | L814 A869 S883 M910 L912 | L814-Y871 HydrophobicContact CD1-CD1 4.18Å; L814-Y871 HydrophobicContact CD1-CE1 4.39Å; A869-Y871 HydrophobicContact CB-CD1 4.4Å; A869-Y871 HydrophobicContact CB-CE1 3.94Å; A869-Y871 HydrophobicContact CB-CE2 4.2Å; A869-Y871 PolarHBondContact O-N 3.34Å; Y871-S883 PolarHBondContact N-O 3.25Å; Y871-S883 VanDerWaalsContact N-O 3.11Å; Y871-M910 HydrophobicContact CD2-CG 4.16Å; Y871-M910 HydrophobicContact CE2-CG 3.49Å; Y871-M910 VanDerWaalsContact CE2-CG 3.49Å; Y871-M910 HydrophobicContact CE2-SD 3.77Å; Y871-M910 PolarHBondContact OH-SD 3.43Å; Y871-M910 VanDerWaalsContact OH-SD 3.39Å; Y871-L912 HydrophobicContact CD1-CD2 3.7Å; Y871-L912 HydrophobicContact CD2-CD2 3.8Å; Y871-L912 HydrophobicContact CE1-CD2 3.91Å; Y871-L912 HydrophobicContact CE2-CD2 3.98Å; Y871-L912 HydrophobicContact CG-CD2 3.66Å |
| 872 | S | 97.1 | Very high | 96.2 | Very high | 20 Ų | 20 | 36 Ų | 36 | 14% | 0.14 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 149.5 | -179.5 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | A882 S883 L912 | S872-A882 WeakPolarHBondContact O-CA 3.27Å; S872-S883 PolarHBondContact N-OG 3.28Å; S872-S883 VanDerWaalsContact N-OG 3.13Å; S872-S883 PolarHBondContact O-N 3.43Å; S872-S883 PolarHBondContact O-OG 3.07Å; S872-L912 WeakPolarHBondContact CB-O 3.31Å |
| 873 | M | 97.8 | Very high | 96.3 | Very high | 13 Ų | 13 | 35.4 Ų | 35.4 | 6% | 0.064 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 146.2 | 175 | -63.5 | -171.6 | -60.5 | 0 | 0 | 110 | V817 I830 I848 V870 L880 L881 A882 | V817-M873 HydrophobicContact CG1-CB 4.42Å; I830-M873 HydrophobicContact CB-CE 4.47Å; I830-M873 HydrophobicContact CG2-CE 3.98Å; I830-M873 HydrophobicContact CG2-SD 4.22Å; I830-M873 WeakPolarHBondContact O-CE 3.42Å; I848-M873 HydrophobicContact CD1-SD 4.35Å; I848-M873 HydrophobicContact CG1-SD 4.26Å; I848-M873 HydrophobicContact CG2-SD 3.95Å; V870-M873 HydrophobicContact CG1-CG 3.62Å; V870-M873 HydrophobicContact CG1-SD 3.83Å; M873-L880 HydrophobicContact CB-CD1 4.31Å; M873-L880 HydrophobicContact SD-CD2 4.33Å; M873-L881 CarbonylContact C-O 3.5Å; M873-L881 VanDerWaalsContact CA-O 3.27Å; M873-L881 WeakPolarHBondContact CA-O 3.25Å; M873-A882 HydrophobicContact CG-CB 3.82Å; M873-A882 HydrophobicContact SD-CB 4.44Å |
| 874 | V | 97.1 | Very high | 96.5 | Very high | 28 Ų | 28 | 32.3 Ų | 32.3 | 17% | 0.17 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 146.8 | 179.9 | 63.2 | 0 | 0 | 0 | 0 | 110.3 | L881 L914 T916 | V874-L881 HydrophobicContact CG1-CB 3.88Å; V874-L881 HydrophobicContact CG1-CD2 3.79Å; V874-L881 HydrophobicContact CG1-CG 4.26Å; V874-L881 PolarHBondContact N-O 3.43Å; V874-L881 PolarHBondContact O-N 3.49Å; V874-L914 HydrophobicContact CG1-CB 4.16Å; V874-T916 HydrophobicContact CB-CG2 4.45Å; V874-T916 HydrophobicContact CG1-CG2 3.5Å; V874-T916 HydrophobicContact CG2-CG2 4.09Å; V874-T916 WeakPolarHBondContact CG2-OG1 3.45Å |
| 875 | E | 96.8 | Very high | 96.5 | Very high | 72 Ų | 72 | 29.8 Ų | 29.8 | 34% | 0.336 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 135.4 | 171.6 | -172.8 | -79.9 | 143.8 | 0 | 0 | 109.6 | C819 N877 G878 T916 | C819-E875 HydrophobicContact CB-CB 3.81Å; C819-E875 HydrophobicContact CB-CG 3.72Å; E875-N877 PolarHBondContact OE1-N 3.14Å; E875-N877 VanDerWaalsContact OE1-N 3.1Å; E875-G878 PolarHBondContact OE1-N 2.92Å; E875-T916 PolarHBondContact O-OG1 3.44Å |
| 876 | F | 96.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 1% | 0.013 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 94 | -177.2 | -174.4 | -105 | 0 | 0 | 0 | 110.7 | G878 K879 L881 L890 T916 G918 I921 Y935 | F876-G878 VanDerWaalsContact C-N 3.31Å; F876-G878 PolarHBondContact O-N 2.95Å; F876-K879 PolarHBondContact N-O 3.34Å; F876-K879 WeakPolarHBondContact O-CA 3.04Å; F876-K879 VanDerWaalsContact O-CB 3.25Å; F876-K879 WeakPolarHBondContact O-CB 3.4Å; F876-K879 PolarHBondContact O-N 2.94Å; F876-L881 HydrophobicContact CB-CB 4.02Å; F876-L890 HydrophobicContact CB-CD1 4.42Å; F876-L890 HydrophobicContact CD1-CD1 3.77Å; F876-L890 HydrophobicContact CD1-CD2 4.45Å; F876-L890 HydrophobicContact CG-CD1 4.47Å; F876-T916 HydrophobicContact CB-CG2 4.39Å; F876-T916 HydrophobicContact CD2-CG2 3.54Å; F876-T916 HydrophobicContact CE2-CG2 4.28Å; F876-T916 HydrophobicContact CG-CG2 4.37Å; F876-G918 VanDerWaalsContact CE2-O 3.25Å; F876-G918 WeakPolarHBondContact CE2-O 3.35Å; F876-I921 HydrophobicContact CD2-CG1 4.22Å; F876-I921 HydrophobicContact CE1-CD1 4.38Å; F876-I921 HydrophobicContact CE2-CD1 4.1Å; F876-I921 HydrophobicContact CE2-CG1 3.74Å; F876-I921 HydrophobicContact CZ-CD1 4Å; F876-I921 HydrophobicContact CZ-CG1 4.1Å; F876-Y935 AromaticContact CE1-CD1 3.88Å; F876-Y935 HydrophobicContact CE1-CD1 3.88Å; F876-Y935 AromaticContact CE1-CG 3.8Å; F876-Y935 HydrophobicContact CE1-CG 3.8Å; F876-Y935 HydrophobicContact CZ-CD1 4.43Å; F876-Y935 HydrophobicContact CZ-CG 4.28Å |
| 877 | N | 93.4 | Very high | 96.5 | Very high | 94 Ų | 94 | 27.7 Ų | 27.7 | 50% | 0.503 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 43.7 | 174.5 | -58.9 | -24.8 | 0 | 0 | 0 | 113.4 | E875 K879 G918 D919 | E875-N877 PolarHBondContact OE1-N 3.14Å; E875-N877 VanDerWaalsContact OE1-N 3.1Å; N877-K879 VanDerWaalsContact C-N 3.28Å; N877-K879 PolarHBondContact O-N 2.92Å; N877-G918 PolarHBondContact ND2-O 3.17Å; N877-G918 VanDerWaalsContact ND2-O 3.09Å; N877-D919 PolarHBondContact ND2-OD1 3.06Å; N877-D919 VanDerWaalsContact ND2-OD1 3.12Å |
| 878 | G | 92.6 | Very high | 96.6 | Very high | 19 Ų | 19 | 19.4 Ų | 19.4 | 20% | 0.196 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 4.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G822 E875 F876 | G822-G878 PolarHBondContact N-O 2.84Å; E875-G878 PolarHBondContact OE1-N 2.92Å; F876-G878 VanDerWaalsContact C-N 3.31Å; F876-G878 PolarHBondContact O-N 2.95Å |
| 879 | K | 95.9 | Very high | 96.8 | Very high | 40 Ų | 40 | 21.6 Ų | 21.6 | 17% | 0.174 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 169.2 | 173.7 | -59.6 | 177.6 | -178.2 | -174.9 | 0 | 110 | F876 N877 L890 Y891 E902 Y935 | F876-K879 PolarHBondContact N-O 3.34Å; F876-K879 WeakPolarHBondContact O-CA 3.04Å; F876-K879 VanDerWaalsContact O-CB 3.25Å; F876-K879 WeakPolarHBondContact O-CB 3.4Å; F876-K879 PolarHBondContact O-N 2.94Å; N877-K879 VanDerWaalsContact C-N 3.28Å; N877-K879 PolarHBondContact O-N 2.92Å; K879-L890 HydrophobicContact CB-CD1 3.77Å; K879-L890 HydrophobicContact CB-CG 4.3Å; K879-L890 HydrophobicContact CD-CD1 4.23Å; K879-L890 HydrophobicContact CD-CD2 3.77Å; K879-L890 HydrophobicContact CD-CG 4.01Å; K879-Y891 WeakPolarHBondContact CB-O 3.36Å; K879-E902 WeakPolarHBondContact CD-OE2 3.37Å; K879-E902 VanDerWaalsContact CE-OE2 3.23Å; K879-E902 WeakPolarHBondContact CE-OE2 3.46Å; K879-E902 IonicContact NZ-OE1 2.75Å; K879-E902 PolarHBondContact NZ-OE1 2.93Å; K879-E902 IonicContact NZ-OE2 3.51Å; K879-E902 PolarHBondContact NZ-OE2 3.28Å; K879-Y935 PolarHBondContact NZ-OH 2.75Å |
| 880 | L | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 113.1 | 176.4 | -179 | 69.7 | 0 | 0 | 0 | 109.5 | V817 L821 I830 I848 M873 Y891 L899 | V817-L880 HydrophobicContact CG1-CD1 3.98Å; L821-L880 HydrophobicContact CD1-CB 4.42Å; L821-L880 HydrophobicContact CD2-CB 4.12Å; I830-L880 HydrophobicContact CD1-CD1 4.14Å; I830-L880 HydrophobicContact CD1-CD2 4.35Å; I830-L880 HydrophobicContact CG2-CD2 3.94Å; I848-L880 HydrophobicContact CG2-CD2 4.11Å; M873-L880 HydrophobicContact CB-CD1 4.31Å; M873-L880 HydrophobicContact SD-CD2 4.33Å; L880-Y891 PolarHBondContact N-O 2.88Å; L880-Y891 WeakPolarHBondContact O-CB 3.5Å; L880-Y891 PolarHBondContact O-N 3.17Å; L880-L899 HydrophobicContact CB-CD2 4.35Å; L880-L899 HydrophobicContact CD2-CD1 3.91Å; L880-L899 HydrophobicContact CD2-CD2 3.98Å |
| 881 | L | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 130.5 | 171.8 | -175.7 | 74 | 0 | 0 | 0 | 108.9 | M873 V874 F876 V888 L890 L914 T916 I921 F942 | M873-L881 CarbonylContact C-O 3.5Å; M873-L881 VanDerWaalsContact CA-O 3.27Å; M873-L881 WeakPolarHBondContact CA-O 3.25Å; V874-L881 HydrophobicContact CG1-CB 3.88Å; V874-L881 HydrophobicContact CG1-CD2 3.79Å; V874-L881 HydrophobicContact CG1-CG 4.26Å; V874-L881 PolarHBondContact N-O 3.43Å; V874-L881 PolarHBondContact O-N 3.49Å; F876-L881 HydrophobicContact CB-CB 4.02Å; L881-V888 HydrophobicContact CD1-CG1 3.83Å; L881-V888 HydrophobicContact CG-CG1 4.4Å; L881-L890 HydrophobicContact CB-CD1 4.2Å; L881-L890 HydrophobicContact CD1-CD1 4.09Å; L881-L914 HydrophobicContact CD2-CD1 4.22Å; L881-L914 HydrophobicContact CD2-CD2 4.42Å; L881-L914 HydrophobicContact CG-CD1 4.11Å; L881-T916 HydrophobicContact CD2-CG2 3.95Å; L881-I921 HydrophobicContact CD1-CD1 3.99Å; L881-I921 HydrophobicContact CD2-CB 4.33Å; L881-I921 HydrophobicContact CD2-CD1 3.81Å; L881-I921 HydrophobicContact CD2-CG1 3.84Å; L881-I921 HydrophobicContact CD2-CG2 3.56Å; L881-F942 HydrophobicContact CD1-CE1 4.3Å; L881-F942 HydrophobicContact CD1-CE2 4.41Å; L881-F942 HydrophobicContact CD1-CZ 3.56Å |
| 882 | A | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 141.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I848 V870 S872 M873 I884 R889 Y891 | I848-A882 HydrophobicContact CD1-CB 4.18Å; V870-A882 HydrophobicContact CG1-CB 4.42Å; S872-A882 WeakPolarHBondContact O-CA 3.27Å; M873-A882 HydrophobicContact CG-CB 3.82Å; M873-A882 HydrophobicContact SD-CB 4.44Å; A882-I884 HydrophobicContact CB-CD1 4.06Å; A882-R889 PolarHBondContact N-O 2.87Å; A882-R889 PolarHBondContact O-N 3.35Å; A882-Y891 HydrophobicContact CB-CD2 4.32Å; A882-Y891 HydrophobicContact CB-CE2 4.2Å |
| 883 | S | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 129.4 | 170 | 63 | 0 | 0 | 0 | 0 | 110.9 | V870 Y871 S872 T887 A911 | V870-S883 CarbonylContact C-O 3.57Å; V870-S883 WeakPolarHBondContact CA-O 3.36Å; Y871-S883 PolarHBondContact N-O 3.25Å; Y871-S883 VanDerWaalsContact N-O 3.11Å; S872-S883 PolarHBondContact N-OG 3.28Å; S872-S883 VanDerWaalsContact N-OG 3.13Å; S872-S883 PolarHBondContact O-N 3.43Å; S872-S883 PolarHBondContact O-OG 3.07Å; S883-T887 CarbonylContact C-O 3.29Å; S883-T887 WeakPolarHBondContact CA-O 3.48Å; S883-A911 WeakPolarHBondContact CB-O 3.46Å; S883-A911 PolarHBondContact OG-O 3.08Å |
| 884 | I | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 106.8 | 179.2 | -54.2 | 95.2 | 0 | 0 | 0 | 108.8 | V866 A869 V870 A882 S886 T887 R889 Y891 | V866-I884 HydrophobicContact CB-CG1 4.39Å; V866-I884 HydrophobicContact CB-CG2 4.3Å; V866-I884 HydrophobicContact CG1-CG1 4.44Å; V866-I884 HydrophobicContact CG2-CG1 4.39Å; V866-I884 HydrophobicContact CG2-CG2 4.24Å; A869-I884 VanDerWaalsContact O-CA 3.29Å; A869-I884 WeakPolarHBondContact O-CA 3.43Å; V870-I884 HydrophobicContact CG2-CG1 4.11Å; A882-I884 HydrophobicContact CB-CD1 4.06Å; I884-S886 PolarHBondContact O-N 3.19Å; I884-S886 VanDerWaalsContact O-N 3.16Å; I884-T887 PolarHBondContact N-O 2.83Å; I884-T887 WeakPolarHBondContact O-CB 3.39Å; I884-T887 PolarHBondContact O-N 3.45Å; I884-R889 HydrophobicContact CD1-CB 4.02Å; I884-R889 HydrophobicContact CD1-CG 3.8Å; I884-Y891 HydrophobicContact CD1-CE2 4.36Å |
| 885 | N | 96 | Very high | 96.3 | Very high | 17 Ų | 17 | 26.2 Ų | 26.2 | 9% | 0.091 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | -115.9 | -172.8 | -63 | 9.9 | 0 | 0 | 0 | 112 | E842 P843 A869 T887 A911 | E842-N885 VanDerWaalsContact CD-ND2 3.31Å; E842-N885 VanDerWaalsContact OE1-CB 3.27Å; E842-N885 WeakPolarHBondContact OE1-CB 3.44Å; E842-N885 PolarHBondContact OE1-ND2 2.69Å; P843-N885 PolarHBondContact O-ND2 2.6Å; P843-N885 VanDerWaalsContact O-ND2 3.08Å; A869-N885 PolarHBondContact N-OD1 2.9Å; A869-N885 PolarHBondContact O-N 3.27Å; A869-N885 PolarHBondContact O-OD1 2.87Å; N885-T887 VanDerWaalsContact C-N 3.31Å; N885-T887 PolarHBondContact O-N 2.94Å; N885-A911 PolarHBondContact O-N 2.99Å |
| 886 | S | 95.5 | Very high | 96.1 | Very high | 46 Ų | 46 | 29.5 Ų | 29.5 | 32% | 0.322 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -0.3 | 178.3 | 59.8 | 0 | 0 | 0 | 0 | 114.6 | I884 N908 I909 | I884-S886 PolarHBondContact O-N 3.19Å; I884-S886 VanDerWaalsContact O-N 3.16Å; S886-N908 WeakPolarHBondContact CB-O 3.29Å; S886-I909 VanDerWaalsContact CB-O 3.31Å; S886-I909 WeakPolarHBondContact CB-O 3.5Å |
| 887 | T | 96.8 | Very high | 95.9 | Very high | 11 Ų | 11 | 33.3 Ų | 33.3 | 7% | 0.067 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 133.2 | -172.2 | -45.9 | 0 | 0 | 0 | 0 | 112.2 | S883 I884 N885 R889 N904 H905 Y906 | S883-T887 CarbonylContact C-O 3.29Å; S883-T887 WeakPolarHBondContact CA-O 3.48Å; I884-T887 PolarHBondContact N-O 2.83Å; I884-T887 WeakPolarHBondContact O-CB 3.39Å; I884-T887 PolarHBondContact O-N 3.45Å; N885-T887 VanDerWaalsContact C-N 3.31Å; N885-T887 PolarHBondContact O-N 2.94Å; T887-R889 HydrophobicContact CG2-CG 3.59Å; T887-N904 HydrophobicContact CG2-CB 4.18Å; T887-H905 CarbonylContact C-O 3.56Å; T887-H905 WeakPolarHBondContact CA-O 3.49Å; T887-H905 WeakPolarHBondContact CG2-O 3.34Å; T887-Y906 HydrophobicContact CG2-CD1 3.62Å; T887-Y906 HydrophobicContact CG2-CE1 3.48Å; T887-Y906 VanDerWaalsContact CG2-CE1 3.48Å |
| 888 | V | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 123.6 | 164.8 | -179.5 | 0 | 0 | 0 | 0 | 108.4 | L881 N904 H905 A911 L914 V923 F942 | L881-V888 HydrophobicContact CD1-CG1 3.83Å; L881-V888 HydrophobicContact CG-CG1 4.4Å; V888-N904 CarbonylContact O-C 3.59Å; V888-N904 WeakPolarHBondContact O-CA 3.33Å; V888-H905 HydrophobicContact CB-CB 4.36Å; V888-H905 PolarHBondContact N-O 2.94Å; V888-H905 PolarHBondContact O-N 3.47Å; V888-A911 HydrophobicContact CG2-CB 3.85Å; V888-L914 HydrophobicContact CG1-CD2 4.14Å; V888-L914 HydrophobicContact CG2-CD2 4.25Å; V888-V923 HydrophobicContact CG2-CG1 3.97Å; V888-V923 HydrophobicContact CG2-CG2 4.07Å; V888-F942 HydrophobicContact CG1-CE2 4.4Å |
| 889 | R | 97.6 | Very high | 96.1 | Very high | 45 Ų | 45 | 34.1 Ų | 34.1 | 17% | 0.17 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 137.6 | -174.3 | -59.1 | -157.5 | 177.7 | 134.2 | 8.4 | 111.8 | A882 I884 T887 Y891 N904 | A882-R889 PolarHBondContact N-O 2.87Å; A882-R889 PolarHBondContact O-N 3.35Å; I884-R889 HydrophobicContact CD1-CB 4.02Å; I884-R889 HydrophobicContact CD1-CG 3.8Å; T887-R889 HydrophobicContact CG2-CG 3.59Å; R889-Y891 HydrophobicContact CB-CD2 4.34Å; R889-Y891 HydrophobicContact CB-CE2 3.78Å; R889-N904 WeakPolarHBondContact CD-OD1 3.5Å; R889-N904 WeakPolarHBondContact CG-OD1 3.17Å; R889-N904 PolarHBondContact NE-OD1 2.78Å |
| 890 | L | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 129.7 | 168.2 | -166.3 | 58.9 | 0 | 0 | 0 | 110.2 | F876 K879 L881 E902 C903 Y935 F942 | F876-L890 HydrophobicContact CB-CD1 4.42Å; F876-L890 HydrophobicContact CD1-CD1 3.77Å; F876-L890 HydrophobicContact CD1-CD2 4.45Å; F876-L890 HydrophobicContact CG-CD1 4.47Å; K879-L890 HydrophobicContact CB-CD1 3.77Å; K879-L890 HydrophobicContact CB-CG 4.3Å; K879-L890 HydrophobicContact CD-CD1 4.23Å; K879-L890 HydrophobicContact CD-CD2 3.77Å; K879-L890 HydrophobicContact CD-CG 4.01Å; L881-L890 HydrophobicContact CB-CD1 4.2Å; L881-L890 HydrophobicContact CD1-CD1 4.09Å; L890-E902 PolarHBondContact O-N 3.46Å; L890-C903 VanDerWaalsContact CB-SG 3.52Å; L890-C903 PolarHBondContact N-O 3.21Å; L890-Y935 HydrophobicContact CD2-CD2 3.74Å; L890-Y935 HydrophobicContact CD2-CE2 3.55Å; L890-Y935 HydrophobicContact CD2-CG 4.4Å; L890-F942 HydrophobicContact CB-CE2 4.31Å; L890-F942 HydrophobicContact CB-CZ 3.73Å; L890-F942 HydrophobicContact CD2-CE1 4.43Å; L890-F942 HydrophobicContact CD2-CZ 4.44Å |
| 891 | Y | 97.6 | Very high | 96 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 132 | 175.3 | -70.4 | -88 | 0 | 0 | 0 | 111.1 | I848 K864 V866 K879 L880 A882 I884 R889 L899 R900 T901 | I848-Y891 HydrophobicContact CD1-CD2 4.33Å; I848-Y891 HydrophobicContact CD1-CE2 3.84Å; K864-Y891 HydrophobicContact CG-CE1 4.21Å; V866-Y891 WeakPolarHBondContact CG1-OH 3.22Å; K879-Y891 WeakPolarHBondContact CB-O 3.36Å; L880-Y891 PolarHBondContact N-O 2.88Å; L880-Y891 WeakPolarHBondContact O-CB 3.5Å; L880-Y891 PolarHBondContact O-N 3.17Å; A882-Y891 HydrophobicContact CB-CD2 4.32Å; A882-Y891 HydrophobicContact CB-CE2 4.2Å; I884-Y891 HydrophobicContact CD1-CE2 4.36Å; R889-Y891 HydrophobicContact CB-CD2 4.34Å; R889-Y891 HydrophobicContact CB-CE2 3.78Å; Y891-L899 HydrophobicContact CD1-CB 3.95Å; Y891-L899 HydrophobicContact CG-CB 4.43Å; Y891-R900 CarbonylContact C-O 3.47Å; Y891-R900 WeakPolarHBondContact CA-O 3.49Å; Y891-T901 WeakPolarHBondContact CE1-OG1 3.48Å |
| 892 | E | 96.1 | Very high | 95.8 | Very high | 67 Ų | 67 | 44 Ų | 44 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 139.3 | 169.9 | -169.6 | -174.8 | -179 | 0 | 0 | 109.7 | R900 | E892-R900 PolarHBondContact N-O 3.49Å; E892-R900 PolarHBondContact O-N 3.34Å; E892-R900 IonicContact OE1-NH2 2.81Å; E892-R900 IonicContact OE2-CZ 2.7Å; E892-R900 IonicContact OE2-NE 3.14Å; E892-R900 IonicContact OE2-NH2 3.03Å; E892-R900 PolarHBondContact OE2-NH2 3.24Å |
| 893 | W | 96.9 | Very high | 95.7 | Very high | 17 Ų | 17 | 44.4 Ų | 44.4 | 6% | 0.064 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 117.5 | 173.8 | -175.9 | -114.1 | 0 | 0 | 0 | 110.7 | L821 Y828 V850 V861 A862 K897 L899 | L821-W893 HydrophobicContact CB-CB 3.55Å; L821-W893 HydrophobicContact CB-CD2 4.22Å; L821-W893 HydrophobicContact CB-CG 3.59Å; L821-W893 HydrophobicContact CD1-CB 4.22Å; L821-W893 HydrophobicContact CD1-CD2 4.2Å; L821-W893 HydrophobicContact CD1-CE3 4.13Å; L821-W893 HydrophobicContact CD1-CG 4.28Å; L821-W893 VanDerWaalsContact O-CD1 3.31Å; Y828-W893 AromaticContact CE2-CZ2 4Å; Y828-W893 HydrophobicContact CE2-CZ2 4Å; V850-W893 HydrophobicContact CG1-CH2 4.18Å; V850-W893 HydrophobicContact CG2-CH2 4.44Å; V850-W893 HydrophobicContact CG2-CZ3 4.12Å; V861-W893 HydrophobicContact CG1-CH2 4.24Å; V861-W893 HydrophobicContact CG1-CZ2 4.43Å; A862-W893 HydrophobicContact CB-CH2 3.86Å; A862-W893 HydrophobicContact CB-CZ3 3.95Å; W893-K897 HydrophobicContact CH2-CB 3.8Å; W893-K897 WeakPolarHBondContact CH2-O 3.32Å; W893-K897 VanDerWaalsContact CZ2-CA 3.44Å; W893-K897 HydrophobicContact CZ2-CB 3.46Å; W893-K897 VanDerWaalsContact CZ2-CB 3.46Å; W893-K897 HydrophobicContact CZ2-CD 4.39Å; W893-K897 HydrophobicContact CZ2-CG 3.85Å; W893-L899 HydrophobicContact CE3-CD2 3.76Å; W893-L899 HydrophobicContact CE3-CG 4.04Å; W893-L899 HydrophobicContact CZ3-CD2 4.28Å; W893-L899 HydrophobicContact CZ3-CG 4.1Å |
| 894 | T | 94.8 | Very high | 95.6 | Very high | 16 Ų | 16 | 47 Ų | 47 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -86 | 166.7 | -174.8 | 73.1 | 0 | 0 | 0 | 0 | 112.8 | E896 K897 E898 R900 | T894-E896 WeakPolarHBondContact CB-OE2 3.46Å; T894-E896 PolarHBondContact O-N 2.97Å; T894-E896 PolarHBondContact OG1-N 2.75Å; T894-E896 PolarHBondContact OG1-OE2 2.75Å; T894-E896 VanDerWaalsContact OG1-OE2 3.07Å; T894-K897 PolarHBondContact O-N 3.18Å; T894-K897 VanDerWaalsContact O-N 3.07Å; T894-E898 PolarHBondContact N-O 3.38Å; T894-E898 PolarHBondContact OG1-N 2.9Å; T894-E898 PolarHBondContact OG1-O 3Å; T894-R900 HydrophobicContact CG2-CB 3.93Å |
| 895 | A | 91.2 | Very high | 95.6 | Very high | 99 Ų | 99 | 48 Ų | 48 | 82% | 0.818 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -25.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K897 | A895-K897 PolarHBondContact O-N 2.81Š|
| 896 | E | 91.9 | Very high | 95.5 | Very high | 142 Ų | 142 | 54 Ų | 54 | 66% | 0.664 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 2.5 | 174.5 | -57.2 | 74.6 | -159.4 | 0 | 0 | 113 | T894 | T894-E896 WeakPolarHBondContact CB-OE2 3.46Å; T894-E896 PolarHBondContact O-N 2.97Å; T894-E896 PolarHBondContact OG1-N 2.75Å; T894-E896 PolarHBondContact OG1-OE2 2.75Å; T894-E896 VanDerWaalsContact OG1-OE2 3.07Å |
| 897 | K | 93.1 | Very high | 95.4 | Very high | 82 Ų | 82 | 55.2 Ų | 55.2 | 36% | 0.357 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 62.3 | 46.5 | -176.7 | -60 | -168.8 | 172.8 | -154.8 | 0 | 113.2 | D824 Y828 V861 A862 W893 T894 A895 | D824-K897 VanDerWaalsContact OD2-CE 3.3Å; D824-K897 WeakPolarHBondContact OD2-CE 3.43Å; D824-K897 IonicContact OD2-NZ 3.75Å; D824-K897 PolarHBondContact OD2-NZ 3.35Å; Y828-K897 PolarHBondContact OH-NZ 2.87Å; V861-K897 HydrophobicContact CG1-CB 4.26Å; V861-K897 HydrophobicContact CG1-CD 4Å; A862-K897 VanDerWaalsContact CB-O 3.3Å; A862-K897 WeakPolarHBondContact CB-O 3.21Å; W893-K897 HydrophobicContact CH2-CB 3.8Å; W893-K897 WeakPolarHBondContact CH2-O 3.32Å; W893-K897 VanDerWaalsContact CZ2-CA 3.44Å; W893-K897 HydrophobicContact CZ2-CB 3.46Å; W893-K897 VanDerWaalsContact CZ2-CB 3.46Å; W893-K897 HydrophobicContact CZ2-CD 4.39Å; W893-K897 HydrophobicContact CZ2-CG 3.85Å; T894-K897 PolarHBondContact O-N 3.18Å; T894-K897 VanDerWaalsContact O-N 3.07Å; A895-K897 PolarHBondContact O-N 2.81Å |
| 898 | E | 94.3 | Very high | 95.3 | Very high | 125 Ų | 125 | 55.2 Ų | 55.2 | 58% | 0.584 | 27% | 0.27 | S | S | * | . | trans | -124.7 | 156 | 174.6 | -64.7 | -175 | 174.9 | 0 | 0 | 111.9 | T894 | T894-E898 PolarHBondContact N-O 3.38Å; T894-E898 PolarHBondContact OG1-N 2.9Å; T894-E898 PolarHBondContact OG1-O 3Å | ||
| 899 | L | 96 | Very high | 95.1 | Very high | 6 Ų | 6 | 58.9 Ų | 58.9 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 115.5 | 173.1 | -68.7 | 169.8 | 0 | 0 | 0 | 110.7 | L821 I848 V850 K864 L880 Y891 W893 | L821-L899 HydrophobicContact CD1-CD2 4.21Å; I848-L899 HydrophobicContact CB-CD1 4.27Å; I848-L899 HydrophobicContact CG2-CD1 3.67Å; V850-L899 HydrophobicContact CG2-CD1 4.11Å; K864-L899 HydrophobicContact CB-CB 4.33Å; K864-L899 HydrophobicContact CB-CD1 4.32Å; K864-L899 WeakPolarHBondContact CE-O 3.37Å; K864-L899 HydrophobicContact CG-CB 4.35Å; K864-L899 PolarHBondContact NZ-O 3.02Å; K864-L899 VanDerWaalsContact NZ-O 3.09Å; L880-L899 HydrophobicContact CB-CD2 4.35Å; L880-L899 HydrophobicContact CD2-CD1 3.91Å; L880-L899 HydrophobicContact CD2-CD2 3.98Å; Y891-L899 HydrophobicContact CD1-CB 3.95Å; Y891-L899 HydrophobicContact CG-CB 4.43Å; W893-L899 HydrophobicContact CE3-CD2 3.76Å; W893-L899 HydrophobicContact CE3-CG 4.04Å; W893-L899 HydrophobicContact CZ3-CD2 4.28Å; W893-L899 HydrophobicContact CZ3-CG 4.1Å |
| 900 | R | 95.8 | Very high | 94.9 | Very high | 135 Ų | 135 | 58.4 Ų | 58.4 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 129.5 | 175.7 | -174.8 | 174.6 | 67 | -161.7 | 2 | 110.5 | Y891 E892 T894 E902 | Y891-R900 CarbonylContact C-O 3.47Å; Y891-R900 WeakPolarHBondContact CA-O 3.49Å; E892-R900 PolarHBondContact N-O 3.49Å; E892-R900 PolarHBondContact O-N 3.34Å; E892-R900 IonicContact OE1-NH2 2.81Å; E892-R900 IonicContact OE2-CZ 2.7Å; E892-R900 IonicContact OE2-NE 3.14Å; E892-R900 IonicContact OE2-NH2 3.03Å; E892-R900 PolarHBondContact OE2-NH2 3.24Å; T894-R900 HydrophobicContact CG2-CB 3.93Å; R900-E902 PolarHBondContact O-N 3.22Å |
| 901 | T | 96.1 | Very high | 94.8 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 33% | 0.325 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 127.7 | 175.5 | -54.2 | 0 | 0 | 0 | 0 | 110.1 | Y891 | Y891-T901 WeakPolarHBondContact CE1-OG1 3.48Å |
| 902 | E | 94.4 | Very high | 94.8 | Very high | 59 Ų | 59 | 59.5 Ų | 59.5 | 28% | 0.276 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -56.5 | 179.1 | -173.4 | -179.2 | 164.3 | 0 | 0 | 111.1 | K879 L890 R900 Y935 | K879-E902 WeakPolarHBondContact CD-OE2 3.37Å; K879-E902 VanDerWaalsContact CE-OE2 3.23Å; K879-E902 WeakPolarHBondContact CE-OE2 3.46Å; K879-E902 IonicContact NZ-OE1 2.75Å; K879-E902 PolarHBondContact NZ-OE1 2.93Å; K879-E902 IonicContact NZ-OE2 3.51Å; K879-E902 PolarHBondContact NZ-OE2 3.28Å; L890-E902 PolarHBondContact O-N 3.46Å; R900-E902 PolarHBondContact O-N 3.22Å; E902-Y935 PolarHBondContact OE1-OH 3.14Å |
| 903 | C | 94.8 | Very high | 94.8 | Very high | 10 Ų | 10 | 58.8 Ų | 58.8 | 7% | 0.068 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 163.3 | 179.9 | 66.1 | 0 | 0 | 0 | 0 | 112.4 | L890 G940 F942 | L890-C903 VanDerWaalsContact CB-SG 3.52Å; L890-C903 PolarHBondContact N-O 3.21Å; C903-G940 WeakPolarHBondContact CB-O 3.35Å; C903-F942 VanDerWaalsContact SG-CE2 3.53Å |
| 904 | N | 95.9 | Very high | 94.9 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 28% | 0.283 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 148.8 | -175.6 | -55.7 | -84.6 | 0 | 0 | 0 | 110.8 | T887 V888 R889 Y906 | T887-N904 HydrophobicContact CG2-CB 4.18Å; V888-N904 CarbonylContact O-C 3.59Å; V888-N904 WeakPolarHBondContact O-CA 3.33Å; R889-N904 WeakPolarHBondContact CD-OD1 3.5Å; R889-N904 WeakPolarHBondContact CG-OD1 3.17Å; R889-N904 PolarHBondContact NE-OD1 2.78Å; N904-Y906 HydrophobicContact CB-CE1 4.21Å; N904-Y906 HydrophobicContact CB-CE2 3.7Å; N904-Y906 WeakPolarHBondContact CB-OH 3.34Å |
| 905 | H | 96.8 | Very high | 95 | Very high | 22 Ų | 22 | 60.1 Ų | 60.1 | 10% | 0.102 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 136.4 | 167.7 | 174.4 | -90.9 | 0 | 0 | 0 | 109.5 | T887 V888 N907 N908 L933 F942 E944 | T887-H905 CarbonylContact C-O 3.56Å; T887-H905 WeakPolarHBondContact CA-O 3.49Å; T887-H905 WeakPolarHBondContact CG2-O 3.34Å; V888-H905 HydrophobicContact CB-CB 4.36Å; V888-H905 PolarHBondContact N-O 2.94Å; V888-H905 PolarHBondContact O-N 3.47Å; H905-N907 PolarHBondContact CE1-N 2.54Å; H905-N907 VanDerWaalsContact CE1-N 3.34Å; H905-N907 WeakPolarHBondContact NE2-CB 3.43Å; H905-N908 PolarHBondContact CE1-OD1 2.81Å; H905-N908 VanDerWaalsContact CE1-OD1 3.25Å; H905-N908 PolarHBondContact ND1-OD1 2.74Å; H905-L933 HydrophobicContact CB-CD1 4.05Å; H905-F942 HydrophobicContact CB-CD2 3.9Å; H905-E944 IonicContact NE2-OE2 3.54Å |
| 906 | Y | 94.7 | Very high | 95.2 | Very high | 143 Ų | 143 | 57.5 Ų | 57.5 | 56% | 0.561 | 27% | 0.269 | S | S | * | . | trans | -121.3 | -0.9 | -170.4 | -57.1 | -80.5 | 0 | 0 | 0 | 114.3 | T887 N904 N908 | T887-Y906 HydrophobicContact CG2-CD1 3.62Å; T887-Y906 HydrophobicContact CG2-CE1 3.48Å; T887-Y906 VanDerWaalsContact CG2-CE1 3.48Å; N904-Y906 HydrophobicContact CB-CE1 4.21Å; N904-Y906 HydrophobicContact CB-CE2 3.7Å; N904-Y906 WeakPolarHBondContact CB-OH 3.34Å; Y906-N908 PolarHBondContact O-N 3.1Å | ||
| 907 | N | 93.7 | Very high | 95.4 | Very high | 72 Ų | 72 | 54.2 Ų | 54.2 | 39% | 0.385 | 25% | 0.253 | S | S | . | . | trans | -86 | 46 | -170.5 | -163.8 | 6.1 | 0 | 0 | 0 | 112.9 | H905 R928 E944 R947 | H905-N907 PolarHBondContact CE1-N 2.54Å; H905-N907 VanDerWaalsContact CE1-N 3.34Å; H905-N907 WeakPolarHBondContact NE2-CB 3.43Å; N907-R928 PolarHBondContact OD1-NH1 3.08Å; N907-E944 PolarHBondContact ND2-OE2 3.17Å; N907-R947 PolarHBondContact ND2-NH2 2.98Å; N907-R947 PolarHBondContact O-NH1 2.81Å; N907-R947 PolarHBondContact O-NH2 2.93Å; N907-R947 VanDerWaalsContact O-NH2 3.12Å | ||
| 908 | N | 93.5 | Very high | 95.3 | Very high | 12 Ų | 12 | 52.8 Ų | 52.8 | 6% | 0.064 | 26% | 0.261 | C | S | . | . | trans | -128.9 | 152.4 | 178.4 | -59.8 | 99.3 | 0 | 0 | 0 | 109.1 | S886 H905 Y906 A911 D925 | S886-N908 WeakPolarHBondContact CB-O 3.29Å; H905-N908 PolarHBondContact CE1-OD1 2.81Å; H905-N908 VanDerWaalsContact CE1-OD1 3.25Å; H905-N908 PolarHBondContact ND1-OD1 2.74Å; Y906-N908 PolarHBondContact O-N 3.1Å; N908-A911 HydrophobicContact CB-CB 4.27Å; N908-D925 WeakPolarHBondContact CA-OD2 3.44Å; N908-D925 WeakPolarHBondContact CB-OD2 3.49Å | ||
| 909 | I | 93.9 | Very high | 95.2 | Very high | 77 Ų | 77 | 50.3 Ų | 50.3 | 40% | 0.395 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -81.3 | -53 | 168.3 | -64.3 | 176.7 | 0 | 0 | 0 | 108.1 | S886 D925 M927 R928 | S886-I909 VanDerWaalsContact CB-O 3.31Å; S886-I909 WeakPolarHBondContact CB-O 3.5Å; I909-D925 PolarHBondContact N-OD2 3.06Å; I909-M927 HydrophobicContact CD1-CE 4.1Å; I909-M927 HydrophobicContact CD1-CG 3.58Å; I909-M927 HydrophobicContact CD1-SD 3.46Å; I909-M927 WeakPolarHBondContact CD1-SD 3.44Å; I909-M927 HydrophobicContact CG2-CE 3.95Å; I909-R928 HydrophobicContact CD1-CG 3.68Å; I909-R928 HydrophobicContact CG1-CG 4.09Å |
| 910 | M | 94.1 | Very high | 95.2 | Very high | 34 Ų | 34 | 52.7 Ų | 52.7 | 17% | 0.167 | 26% | 0.262 | C | S | . | . | trans | -152.3 | 111.6 | 176.2 | -168.9 | 178.6 | -71.1 | 0 | 0 | 109.1 | E842 Y871 L912 D925 L926 | E842-M910 HydrophobicContact CG-CE 4.46Å; E842-M910 WeakPolarHBondContact OE1-CE 3.36Å; Y871-M910 HydrophobicContact CD2-CG 4.16Å; Y871-M910 HydrophobicContact CE2-CG 3.49Å; Y871-M910 VanDerWaalsContact CE2-CG 3.49Å; Y871-M910 HydrophobicContact CE2-SD 3.77Å; Y871-M910 PolarHBondContact OH-SD 3.43Å; Y871-M910 VanDerWaalsContact OH-SD 3.39Å; M910-L912 HydrophobicContact CG-CD2 3.81Å; M910-L912 HydrophobicContact CG-CG 4.25Å; M910-L912 PolarHBondContact O-N 3.01Å; M910-L912 HydrophobicContact SD-CD2 3.79Å; M910-D925 PolarHBondContact N-OD2 2.91Å; M910-D925 VanDerWaalsContact N-OD2 3.09Å; M910-D925 CarbonylContact O-C 3.58Å; M910-D925 VanDerWaalsContact O-CA 3.28Å; M910-D925 WeakPolarHBondContact O-CA 3.45Å; M910-L926 HydrophobicContact CB-CB 3.91Å; M910-L926 HydrophobicContact CB-CD2 4.46Å; M910-L926 PolarHBondContact O-N 2.99Å; M910-L926 HydrophobicContact SD-CD2 4.16Å | ||
| 911 | A | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 92.2 | -177 | 0 | 0 | 0 | 0 | 0 | 110.3 | S883 N885 V888 N908 V923 | S883-A911 WeakPolarHBondContact CB-O 3.46Å; S883-A911 PolarHBondContact OG-O 3.08Å; N885-A911 PolarHBondContact O-N 2.99Å; V888-A911 HydrophobicContact CG2-CB 3.85Å; N908-A911 HydrophobicContact CB-CB 4.27Å; A911-V923 HydrophobicContact CB-CG1 3.81Å |
| 912 | L | 96.4 | Very high | 95.4 | Very high | 25 Ų | 25 | 43.8 Ų | 43.8 | 13% | 0.131 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -35.5 | -174.9 | -65.3 | 179.9 | 0 | 0 | 0 | 112.9 | Y871 S872 M910 G924 L926 | Y871-L912 HydrophobicContact CD1-CD2 3.7Å; Y871-L912 HydrophobicContact CD2-CD2 3.8Å; Y871-L912 HydrophobicContact CE1-CD2 3.91Å; Y871-L912 HydrophobicContact CE2-CD2 3.98Å; Y871-L912 HydrophobicContact CG-CD2 3.66Å; S872-L912 WeakPolarHBondContact CB-O 3.31Å; M910-L912 HydrophobicContact CG-CD2 3.81Å; M910-L912 HydrophobicContact CG-CG 4.25Å; M910-L912 PolarHBondContact O-N 3.01Å; M910-L912 HydrophobicContact SD-CD2 3.79Å; L912-G924 PolarHBondContact N-O 2.84Å; L912-L926 HydrophobicContact CD1-CB 3.98Å; L912-L926 HydrophobicContact CD1-CD1 3.89Å; L912-L926 HydrophobicContact CG-CB 4.46Å |
| 913 | Y | 97.5 | Very high | 95.6 | Very high | 53 Ų | 53 | 41 Ų | 41 | 21% | 0.208 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 140.5 | -171.5 | -43.6 | -77 | 0 | 0 | 0 | 111.6 | V923 G924 M954 S955 | Y913-V923 WeakPolarHBondContact O-CA 3.44Å; Y913-G924 PolarHBondContact N-O 2.83Å; Y913-G924 PolarHBondContact O-N 3.49Å; Y913-M954 HydrophobicContact CD2-CB 3.97Å; Y913-M954 HydrophobicContact CE2-CB 3.72Å; Y913-M954 VanDerWaalsContact CE2-O 3.24Å; Y913-M954 WeakPolarHBondContact CE2-O 3.27Å; Y913-M954 PolarHBondContact OH-O 3.16Å; Y913-S955 WeakPolarHBondContact CE1-O 3.41Å; Y913-S955 VanDerWaalsContact CZ-C 3.43Å; Y913-S955 WeakPolarHBondContact OH-CA 3.35Å; Y913-S955 PolarHBondContact OH-O 2.84Å; Y913-S955 VanDerWaalsContact OH-O 3.07Å |
| 914 | L | 97.3 | Very high | 95.7 | Very high | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 135.5 | 178.2 | -68.9 | 177.6 | 0 | 0 | 0 | 110 | V874 L881 V888 I921 L922 V923 | V874-L914 HydrophobicContact CG1-CB 4.16Å; L881-L914 HydrophobicContact CD2-CD1 4.22Å; L881-L914 HydrophobicContact CD2-CD2 4.42Å; L881-L914 HydrophobicContact CG-CD1 4.11Å; V888-L914 HydrophobicContact CG1-CD2 4.14Å; V888-L914 HydrophobicContact CG2-CD2 4.25Å; L914-I921 HydrophobicContact CD2-CG2 4.34Å; L914-L922 WeakPolarHBondContact CA-O 3.39Å; L914-V923 HydrophobicContact CD2-CB 4.34Å; L914-V923 HydrophobicContact CD2-CG1 4.18Å; L914-V923 HydrophobicContact CD2-CG2 3.83Å |
| 915 | K | 97.6 | Very high | 95.7 | Very high | 53 Ų | 53 | 38 Ų | 38 | 23% | 0.23 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 149.9 | 170.6 | -65.5 | -69.7 | -174.8 | 156.8 | 0 | 110 | I921 L922 V957 E958 I959 F1007 | K915-I921 CarbonylContact O-C 3.55Å; K915-I921 WeakPolarHBondContact O-CA 3.44Å; K915-L922 HydrophobicContact CB-CB 4.32Å; K915-L922 PolarHBondContact N-O 2.88Å; K915-L922 PolarHBondContact O-N 3.3Å; K915-V957 WeakPolarHBondContact CE-O 3.44Å; K915-V957 HydrophobicContact CG-CG2 4.01Å; K915-V957 WeakPolarHBondContact CG-O 3.5Å; K915-E958 WeakPolarHBondContact CD-OE1 3.24Å; K915-E958 WeakPolarHBondContact CE-OE2 3.44Å; K915-E958 IonicContact NZ-OE1 3.14Å; K915-E958 IonicContact NZ-OE2 2.74Å; K915-E958 PolarHBondContact NZ-OE2 2.95Å; K915-I959 HydrophobicContact CB-CD1 4.02Å; K915-I959 HydrophobicContact CB-CG1 4Å; K915-F1007 PolarHBondContact NZ-O 3.24Å |
| 916 | T | 96.2 | Very high | 95.6 | Very high | 44 Ų | 44 | 39.3 Ų | 39.3 | 27% | 0.27 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 143.2 | -174.3 | 52.7 | 0 | 0 | 0 | 0 | 110.9 | V874 E875 F876 L881 F920 I921 | V874-T916 HydrophobicContact CB-CG2 4.45Å; V874-T916 HydrophobicContact CG1-CG2 3.5Å; V874-T916 HydrophobicContact CG2-CG2 4.09Å; V874-T916 WeakPolarHBondContact CG2-OG1 3.45Å; E875-T916 PolarHBondContact O-OG1 3.44Å; F876-T916 HydrophobicContact CB-CG2 4.39Å; F876-T916 HydrophobicContact CD2-CG2 3.54Å; F876-T916 HydrophobicContact CE2-CG2 4.28Å; F876-T916 HydrophobicContact CG-CG2 4.37Å; L881-T916 HydrophobicContact CD2-CG2 3.95Å; T916-F920 WeakPolarHBondContact CA-O 3.35Å; T916-I921 HydrophobicContact CG2-CG1 4.36Å |
| 917 | K | 94.7 | Very high | 95.4 | Very high | 73 Ų | 73 | 35.6 Ų | 35.6 | 32% | 0.317 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 110.5 | 169.7 | -169.4 | 179.3 | -177.1 | -161.8 | 0 | 110 | D919 F920 I959 D961 D962 | K917-D919 PolarHBondContact O-N 3.39Å; K917-D919 VanDerWaalsContact O-N 3.16Å; K917-F920 PolarHBondContact N-O 3.05Å; K917-F920 WeakPolarHBondContact O-CB 3.4Å; K917-F920 PolarHBondContact O-N 3.18Å; K917-I959 HydrophobicContact CB-CD1 3.86Å; K917-I959 HydrophobicContact CB-CG2 4.02Å; K917-I959 HydrophobicContact CD-CG2 3.69Å; K917-I959 HydrophobicContact CG-CG2 4.5Å; K917-D961 VanDerWaalsContact NZ-C 3.33Å; K917-D961 VanDerWaalsContact NZ-CA 3.31Å; K917-D962 WeakPolarHBondContact CD-OD1 3.22Å; K917-D962 WeakPolarHBondContact CE-OD1 3.39Å; K917-D962 IonicContact NZ-OD1 3.34Å; K917-D962 PolarHBondContact NZ-OD1 2.85Å |
| 918 | G | 91.9 | Very high | 95.3 | Very high | 52 Ų | 52 | 36.3 Ų | 36.3 | 54% | 0.536 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | -118.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | F876 N877 | F876-G918 VanDerWaalsContact CE2-O 3.25Å; F876-G918 WeakPolarHBondContact CE2-O 3.35Å; N877-G918 PolarHBondContact ND2-O 3.17Å; N877-G918 VanDerWaalsContact ND2-O 3.09Å |
| 919 | D | 92.9 | Very high | 95.4 | Very high | 73 Ų | 73 | 35.7 Ų | 35.7 | 39% | 0.39 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -2.5 | 176.3 | -66.9 | -39.6 | 0 | 0 | 0 | 113.8 | N877 K917 A934 Y935 | N877-D919 PolarHBondContact ND2-OD1 3.06Å; N877-D919 VanDerWaalsContact ND2-OD1 3.12Å; K917-D919 PolarHBondContact O-N 3.39Å; K917-D919 VanDerWaalsContact O-N 3.16Å; D919-A934 WeakPolarHBondContact O-CA 3.49Å; D919-Y935 PolarHBondContact O-N 2.74Å |
| 920 | F | 95.7 | Very high | 95.5 | Very high | 56 Ų | 56 | 32.1 Ų | 32.1 | 25% | 0.246 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 143.4 | 178.2 | -66.5 | -69.5 | 0 | 0 | 0 | 111.8 | T916 K917 L932 L933 A934 I945 | T916-F920 WeakPolarHBondContact CA-O 3.35Å; K917-F920 PolarHBondContact N-O 3.05Å; K917-F920 WeakPolarHBondContact O-CB 3.4Å; K917-F920 PolarHBondContact O-N 3.18Å; F920-L932 HydrophobicContact CB-CD1 4.13Å; F920-L932 HydrophobicContact CD1-CD1 4.08Å; F920-L932 HydrophobicContact CD1-CD2 4.32Å; F920-L932 HydrophobicContact CD1-CG 4.29Å; F920-L932 HydrophobicContact CG-CD1 4.42Å; F920-L933 WeakPolarHBondContact CA-O 3.47Å; F920-A934 HydrophobicContact CD1-CB 4.06Å; F920-A934 HydrophobicContact CE1-CB 4.16Å; F920-I945 HydrophobicContact CE1-CG1 4.44Å |
| 921 | I | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 120.4 | 179.1 | -62.3 | 163.2 | 0 | 0 | 0 | 107.3 | F876 L881 L914 K915 T916 V923 L933 F942 | F876-I921 HydrophobicContact CD2-CG1 4.22Å; F876-I921 HydrophobicContact CE1-CD1 4.38Å; F876-I921 HydrophobicContact CE2-CD1 4.1Å; F876-I921 HydrophobicContact CE2-CG1 3.74Å; F876-I921 HydrophobicContact CZ-CD1 4Å; F876-I921 HydrophobicContact CZ-CG1 4.1Å; L881-I921 HydrophobicContact CD1-CD1 3.99Å; L881-I921 HydrophobicContact CD2-CB 4.33Å; L881-I921 HydrophobicContact CD2-CD1 3.81Å; L881-I921 HydrophobicContact CD2-CG1 3.84Å; L881-I921 HydrophobicContact CD2-CG2 3.56Å; L914-I921 HydrophobicContact CD2-CG2 4.34Å; K915-I921 CarbonylContact O-C 3.55Å; K915-I921 WeakPolarHBondContact O-CA 3.44Å; T916-I921 HydrophobicContact CG2-CG1 4.36Å; I921-V923 HydrophobicContact CG2-CG2 3.95Å; I921-L933 HydrophobicContact CB-CB 4.07Å; I921-L933 PolarHBondContact N-O 2.87Å; I921-L933 PolarHBondContact O-N 2.99Å; I921-F942 HydrophobicContact CD1-CD1 3.98Å; I921-F942 HydrophobicContact CD1-CE1 3.33Å; I921-F942 HydrophobicContact CD1-CZ 3.99Å |
| 922 | L | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 124.7 | 172.2 | -175.4 | 69.5 | 0 | 0 | 0 | 108.9 | L914 K915 V930 V957 I959 F965 | L914-L922 WeakPolarHBondContact CA-O 3.39Å; K915-L922 HydrophobicContact CB-CB 4.32Å; K915-L922 PolarHBondContact N-O 2.88Å; K915-L922 PolarHBondContact O-N 3.3Å; L922-V930 HydrophobicContact CD1-CB 4.14Å; L922-V957 HydrophobicContact CD2-CB 4.02Å; L922-V957 HydrophobicContact CD2-CG2 4.24Å; L922-V957 HydrophobicContact CG-CG2 4.49Å; L922-I959 HydrophobicContact CB-CD1 3.85Å; L922-I959 HydrophobicContact CB-CG1 3.71Å; L922-I959 HydrophobicContact CD2-CG1 3.84Å; L922-I959 HydrophobicContact CG-CG1 4.42Å; L922-F965 HydrophobicContact CD1-CB 3.97Å; L922-F965 HydrophobicContact CD1-CD1 4.06Å; L922-F965 HydrophobicContact CD1-CG 3.96Å; L922-F965 HydrophobicContact CD2-CB 3.94Å; L922-F965 HydrophobicContact CD2-CD1 4.22Å; L922-F965 HydrophobicContact CD2-CG 4.42Å |
| 923 | V | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.7 | 179.5 | -172.8 | 0 | 0 | 0 | 0 | 109 | V888 A911 Y913 L914 I921 V930 L931 L933 | V888-V923 HydrophobicContact CG2-CG1 3.97Å; V888-V923 HydrophobicContact CG2-CG2 4.07Å; A911-V923 HydrophobicContact CB-CG1 3.81Å; Y913-V923 WeakPolarHBondContact O-CA 3.44Å; L914-V923 HydrophobicContact CD2-CB 4.34Å; L914-V923 HydrophobicContact CD2-CG1 4.18Å; L914-V923 HydrophobicContact CD2-CG2 3.83Å; I921-V923 HydrophobicContact CG2-CG2 3.95Å; V923-V930 WeakPolarHBondContact O-CA 3.27Å; V923-L931 HydrophobicContact CB-CB 4.23Å; V923-L931 HydrophobicContact CB-CD2 4Å; V923-L931 HydrophobicContact CG2-CD2 3.94Å; V923-L931 PolarHBondContact N-O 3.36Å; V923-L931 PolarHBondContact O-N 3.08Å; V923-L933 HydrophobicContact CG2-CD1 3.89Å; V923-L933 HydrophobicContact CG2-CG 4.31Å |
| 924 | G | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 121.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L912 Y913 | L912-G924 PolarHBondContact N-O 2.84Å; Y913-G924 PolarHBondContact N-O 2.83Å; Y913-G924 PolarHBondContact O-N 3.49Å |
| 925 | D | 96.5 | Very high | 95.6 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.011 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 154.3 | 179.2 | -170.8 | -87.1 | 0 | 0 | 0 | 111.7 | N908 I909 M910 M927 R928 S929 M954 | N908-D925 WeakPolarHBondContact CA-OD2 3.44Å; N908-D925 WeakPolarHBondContact CB-OD2 3.49Å; I909-D925 PolarHBondContact N-OD2 3.06Å; M910-D925 PolarHBondContact N-OD2 2.91Å; M910-D925 VanDerWaalsContact N-OD2 3.09Å; M910-D925 CarbonylContact O-C 3.58Å; M910-D925 VanDerWaalsContact O-CA 3.28Å; M910-D925 WeakPolarHBondContact O-CA 3.45Å; D925-M927 VanDerWaalsContact C-N 3.27Å; D925-M927 PolarHBondContact O-N 3.31Å; D925-M927 PolarHBondContact OD1-N 3.37Å; D925-R928 HydrophobicContact CB-CB 3.99Å; D925-R928 PolarHBondContact OD1-N 2.84Å; D925-S929 PolarHBondContact N-O 2.98Å; D925-M954 VanDerWaalsContact O-CB 3.22Å; D925-M954 WeakPolarHBondContact O-CB 3.24Å; D925-M954 WeakPolarHBondContact O-CG 3.43Å |
| 926 | L | 93.3 | Very high | 95.4 | Very high | 49 Ų | 49 | 28.4 Ų | 28.4 | 26% | 0.257 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -54.7 | -39.4 | 176.5 | 173.8 | 64.4 | 0 | 0 | 0 | 113.4 | M910 L912 W953 | M910-L926 HydrophobicContact CB-CB 3.91Å; M910-L926 HydrophobicContact CB-CD2 4.46Å; M910-L926 PolarHBondContact O-N 2.99Å; M910-L926 HydrophobicContact SD-CD2 4.16Å; L912-L926 HydrophobicContact CD1-CB 3.98Å; L912-L926 HydrophobicContact CD1-CD1 3.89Å; L912-L926 HydrophobicContact CG-CB 4.46Å; L926-W953 HydrophobicContact CD1-CE3 3.96Å; L926-W953 HydrophobicContact CD1-CZ3 4.11Å; L926-W953 HydrophobicContact CD2-CZ3 4.4Å; L926-W953 HydrophobicContact CG-CE3 4.1Å; L926-W953 HydrophobicContact CG-CZ3 4.03Å; L926-W953 WeakPolarHBondContact O-CA 3.44Å |
| 927 | M | 91.2 | Very high | 95.1 | Very high | 64 Ų | 64 | 30.2 Ų | 30.2 | 32% | 0.315 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -139.5 | -9.6 | -176.9 | 72.4 | 180 | 80.8 | 0 | 0 | 114.8 | I909 D925 P951 N952 W953 | I909-M927 HydrophobicContact CD1-CE 4.1Å; I909-M927 HydrophobicContact CD1-CG 3.58Å; I909-M927 HydrophobicContact CD1-SD 3.46Å; I909-M927 WeakPolarHBondContact CD1-SD 3.44Å; I909-M927 HydrophobicContact CG2-CE 3.95Å; D925-M927 VanDerWaalsContact C-N 3.27Å; D925-M927 PolarHBondContact O-N 3.31Å; D925-M927 PolarHBondContact OD1-N 3.37Å; M927-P951 CarbonylContact O-C 3.53Å; M927-P951 WeakPolarHBondContact O-CA 3.35Å; M927-N952 CarbonylContact C-O 3.56Å; M927-N952 VanDerWaalsContact C-O 3.29Å; M927-N952 WeakPolarHBondContact CA-O 3.28Å; M927-W953 HydrophobicContact CB-CD2 4.08Å; M927-W953 HydrophobicContact CB-CE3 4.25Å; M927-W953 HydrophobicContact CB-CH2 4.44Å; M927-W953 HydrophobicContact CB-CZ2 4.26Å; M927-W953 HydrophobicContact CB-CZ3 4.43Å; M927-W953 HydrophobicContact CE-CH2 4.47Å |
| 928 | R | 92.6 | Very high | 94.9 | Very high | 87 Ų | 87 | 36 Ų | 36 | 33% | 0.328 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -99.3 | 31.9 | 179.4 | -61.3 | -173.3 | 73 | -171.7 | 2.7 | 113.4 | N907 I909 D925 V930 | N907-R928 PolarHBondContact OD1-NH1 3.08Å; I909-R928 HydrophobicContact CD1-CG 3.68Å; I909-R928 HydrophobicContact CG1-CG 4.09Å; D925-R928 HydrophobicContact CB-CB 3.99Å; D925-R928 PolarHBondContact OD1-N 2.84Å; R928-V930 PolarHBondContact O-N 2.9Å |
| 929 | S | 95.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | 51.8 | -135.3 | 177.6 | -167.7 | 0 | 0 | 0 | 0 | 113 | D925 D948 N950 N952 F975 | D925-S929 PolarHBondContact N-O 2.98Å; S929-D948 VanDerWaalsContact CB-OD2 3.23Å; S929-D948 WeakPolarHBondContact CB-OD2 3.45Å; S929-D948 PolarHBondContact OG-OD2 3.47Å; S929-N950 WeakPolarHBondContact CB-O 3.33Å; S929-N952 PolarHBondContact N-O 2.74Å; S929-N952 PolarHBondContact OG-ND2 2.84Å; S929-F975 WeakPolarHBondContact OG-CZ 3.33Å | ||
| 930 | V | 96.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 147 | -173.9 | -61.5 | 0 | 0 | 0 | 0 | 113.5 | L922 V923 R928 D948 M954 V957 F975 C977 L992 | L922-V930 HydrophobicContact CD1-CB 4.14Å; V923-V930 WeakPolarHBondContact O-CA 3.27Å; R928-V930 PolarHBondContact O-N 2.9Å; V930-D948 HydrophobicContact CG2-CB 3.79Å; V930-D948 PolarHBondContact O-N 2.92Å; V930-M954 HydrophobicContact CG1-CE 3.74Å; V930-M954 HydrophobicContact CG1-SD 4.41Å; V930-V957 HydrophobicContact CG1-CG1 3.91Å; V930-F975 HydrophobicContact CG1-CE2 4.41Å; V930-F975 HydrophobicContact CG1-CZ 4.25Å; V930-F975 HydrophobicContact CG2-CE2 4.31Å; V930-C977 HydrophobicContact CG2-CB 4.18Å; V930-L992 HydrophobicContact CG2-CD1 4.08Å |
| 931 | L | 97.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 130.2 | 179.3 | 173 | 108.1 | 0 | 0 | 0 | 110 | V923 L933 E944 R947 | V923-L931 HydrophobicContact CB-CB 4.23Å; V923-L931 HydrophobicContact CB-CD2 4Å; V923-L931 HydrophobicContact CG2-CD2 3.94Å; V923-L931 PolarHBondContact N-O 3.36Å; V923-L931 PolarHBondContact O-N 3.08Å; L931-L933 HydrophobicContact CD2-CD1 3.89Å; L931-L933 HydrophobicContact CD2-CD2 3.65Å; L931-L933 HydrophobicContact CD2-CG 3.53Å; L931-L933 HydrophobicContact CG-CD2 4.27Å; L931-L933 HydrophobicContact CG-CG 4.32Å; L931-E944 VanDerWaalsContact CD1-CD 3.48Å; L931-E944 HydrophobicContact CD1-CG 3.85Å; L931-E944 VanDerWaalsContact CD1-OE1 3.29Å; L931-E944 WeakPolarHBondContact CD1-OE1 3.48Å; L931-R947 HydrophobicContact CD1-CB 4.28Å; L931-R947 HydrophobicContact CD1-CG 4.15Å |
| 932 | L | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 114.7 | 174.8 | -175.4 | 67.9 | 0 | 0 | 0 | 110.5 | F920 I945 A946 F965 K979 L992 | F920-L932 HydrophobicContact CB-CD1 4.13Å; F920-L932 HydrophobicContact CD1-CD1 4.08Å; F920-L932 HydrophobicContact CD1-CD2 4.32Å; F920-L932 HydrophobicContact CD1-CG 4.29Å; F920-L932 HydrophobicContact CG-CD1 4.42Å; L932-I945 HydrophobicContact CD2-CB 4.08Å; L932-I945 HydrophobicContact CD2-CG2 3.98Å; L932-I945 HydrophobicContact CG-CB 4.22Å; L932-I945 PolarHBondContact O-N 2.82Å; L932-A946 PolarHBondContact N-O 3.03Å; L932-A946 PolarHBondContact O-N 2.86Å; L932-F965 HydrophobicContact CD1-CE1 3.76Å; L932-F965 HydrophobicContact CD1-CE2 4.32Å; L932-F965 HydrophobicContact CD1-CZ 3.63Å; L932-F965 HydrophobicContact CD2-CE2 3.82Å; L932-F965 HydrophobicContact CD2-CZ 3.56Å; L932-F965 HydrophobicContact CG-CZ 4.17Å; L932-K979 HydrophobicContact CD2-CD 3.99Å; L932-L992 HydrophobicContact CB-CD1 4.44Å |
| 933 | L | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 151.4 | 170.2 | -62.5 | 177.6 | 0 | 0 | 0 | 110 | H905 F920 I921 V923 L931 E943 E944 | H905-L933 HydrophobicContact CB-CD1 4.05Å; F920-L933 WeakPolarHBondContact CA-O 3.47Å; I921-L933 HydrophobicContact CB-CB 4.07Å; I921-L933 PolarHBondContact N-O 2.87Å; I921-L933 PolarHBondContact O-N 2.99Å; V923-L933 HydrophobicContact CG2-CD1 3.89Å; V923-L933 HydrophobicContact CG2-CG 4.31Å; L931-L933 HydrophobicContact CD2-CD1 3.89Å; L931-L933 HydrophobicContact CD2-CD2 3.65Å; L931-L933 HydrophobicContact CD2-CG 3.53Å; L931-L933 HydrophobicContact CG-CD2 4.27Å; L931-L933 HydrophobicContact CG-CG 4.32Å; L933-E943 CarbonylContact C-O 3.59Å; L933-E943 WeakPolarHBondContact CA-O 3.11Å; L933-E944 HydrophobicContact CD2-CB 4.01Å; L933-E944 HydrophobicContact CD2-CG 4.37Å |
| 934 | A | 95.6 | Very high | 94.2 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 135.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | D919 F920 E943 I945 | D919-A934 WeakPolarHBondContact O-CA 3.49Å; F920-A934 HydrophobicContact CD1-CB 4.06Å; F920-A934 HydrophobicContact CE1-CB 4.16Å; A934-E943 PolarHBondContact N-O 2.9Å; A934-E943 PolarHBondContact O-N 3.33Å; A934-I945 HydrophobicContact CB-CD1 3.77Å; A934-I945 HydrophobicContact CB-CG1 3.61Å |
| 935 | Y | 95.5 | Very high | 94 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 6% | 0.063 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 133.2 | 169.2 | 178.1 | -111.4 | 0 | 0 | 0 | 109.6 | F876 K879 L890 E902 D919 P937 N941 F942 | F876-Y935 AromaticContact CE1-CD1 3.88Å; F876-Y935 HydrophobicContact CE1-CD1 3.88Å; F876-Y935 AromaticContact CE1-CG 3.8Å; F876-Y935 HydrophobicContact CE1-CG 3.8Å; F876-Y935 HydrophobicContact CZ-CD1 4.43Å; F876-Y935 HydrophobicContact CZ-CG 4.28Å; K879-Y935 PolarHBondContact NZ-OH 2.75Å; L890-Y935 HydrophobicContact CD2-CD2 3.74Å; L890-Y935 HydrophobicContact CD2-CE2 3.55Å; L890-Y935 HydrophobicContact CD2-CG 4.4Å; E902-Y935 PolarHBondContact OE1-OH 3.14Å; D919-Y935 PolarHBondContact O-N 2.74Å; Y935-P937 HydrophobicContact CD1-CG 3.96Å; Y935-P937 HydrophobicContact CE1-CB 4.02Å; Y935-P937 HydrophobicContact CE1-CG 3.92Å; Y935-P937 WeakPolarHBondContact O-CD 3.46Å; Y935-N941 WeakPolarHBondContact CD2-O 3.34Å; Y935-F942 HydrophobicContact CD2-CD1 4.17Å; Y935-F942 HydrophobicContact CD2-CE1 4.09Å |
| 936 | K | 93.9 | Very high | 94 | Very high | 70 Ų | 70 | 48 Ų | 48 | 30% | 0.304 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 102.3 | 174.3 | -64.4 | -60.1 | -174.5 | -177.3 | 0 | 109.6 | M938 E939 G940 N941 E943 | K936-M938 PolarHBondContact O-N 2.9Å; K936-M938 VanDerWaalsContact O-N 3.15Å; K936-E939 HydrophobicContact CB-CB 3.99Å; K936-E939 HydrophobicContact CB-CG 4.29Å; K936-E939 PolarHBondContact O-N 3.39Å; K936-E939 VanDerWaalsContact O-N 3.09Å; K936-G940 PolarHBondContact O-N 3.26Å; K936-N941 PolarHBondContact N-O 2.94Å; K936-E943 WeakPolarHBondContact CE-OE2 3.4Å; K936-E943 HydrophobicContact CG-CB 4.3Å; K936-E943 IonicContact NZ-OE2 2.72Å; K936-E943 PolarHBondContact NZ-OE2 3.39Å |
| 937 | P | 89.4 | Confident | 94 | Very high | 82 Ų | 82 | 46 Ų | 46 | 53% | 0.532 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -30.6 | -176 | -24.7 | 34 | 0 | 0 | 0 | 114.1 | Y935 | Y935-P937 HydrophobicContact CD1-CG 3.96Å; Y935-P937 HydrophobicContact CE1-CB 4.02Å; Y935-P937 HydrophobicContact CE1-CG 3.92Å; Y935-P937 WeakPolarHBondContact O-CD 3.46Å |
| 938 | M | 90 | Very high | 94.3 | Very high | 195 Ų | 195 | 43 Ų | 43 | 96% | 0.961 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -30.4 | 179.6 | -59.9 | -171.2 | 86.1 | 0 | 0 | 112.9 | K936 | K936-M938 PolarHBondContact O-N 2.9Å; K936-M938 VanDerWaalsContact O-N 3.15Å |
| 939 | E | 89.6 | Confident | 94.2 | Very high | 136 Ų | 136 | 44.9 Ų | 44.9 | 64% | 0.636 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -22.6 | -179.1 | -64.7 | -176.7 | -162 | 0 | 0 | 112.3 | K936 N941 | K936-E939 HydrophobicContact CB-CB 3.99Å; K936-E939 HydrophobicContact CB-CG 4.29Å; K936-E939 PolarHBondContact O-N 3.39Å; K936-E939 VanDerWaalsContact O-N 3.09Å; E939-N941 VanDerWaalsContact C-N 3.29Å; E939-N941 VanDerWaalsContact CB-OD1 3.23Å; E939-N941 WeakPolarHBondContact CB-OD1 3.43Å; E939-N941 PolarHBondContact O-N 3.05Å; E939-N941 PolarHBondContact OE2-ND2 3.21Å; E939-N941 PolarHBondContact OE2-OD1 2.92Å |
| 940 | G | 90.6 | Very high | 94 | Very high | 24 Ų | 24 | 47.4 Ų | 47.4 | 25% | 0.247 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 27.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | C903 K936 | C903-G940 WeakPolarHBondContact CB-O 3.35Å; K936-G940 PolarHBondContact O-N 3.26Å |
| 941 | N | 94.4 | Very high | 93.8 | Very high | 59 Ų | 59 | 50.1 Ų | 50.1 | 32% | 0.316 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 175 | -177.7 | 67.6 | 1.8 | 0 | 0 | 0 | 111.7 | Y935 K936 E939 | Y935-N941 WeakPolarHBondContact CD2-O 3.34Å; K936-N941 PolarHBondContact N-O 2.94Å; E939-N941 VanDerWaalsContact C-N 3.29Å; E939-N941 VanDerWaalsContact CB-OD1 3.23Å; E939-N941 WeakPolarHBondContact CB-OD1 3.43Å; E939-N941 PolarHBondContact O-N 3.05Å; E939-N941 PolarHBondContact OE2-ND2 3.21Å; E939-N941 PolarHBondContact OE2-OD1 2.92Å |
| 942 | F | 95.9 | Very high | 93.6 | Very high | 24 Ų | 24 | 50.2 Ų | 50.2 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 138.2 | 169.2 | -65.6 | -50.2 | 0 | 0 | 0 | 110.5 | L881 V888 L890 C903 H905 I921 Y935 | L881-F942 HydrophobicContact CD1-CE1 4.3Å; L881-F942 HydrophobicContact CD1-CE2 4.41Å; L881-F942 HydrophobicContact CD1-CZ 3.56Å; V888-F942 HydrophobicContact CG1-CE2 4.4Å; L890-F942 HydrophobicContact CB-CE2 4.31Å; L890-F942 HydrophobicContact CB-CZ 3.73Å; L890-F942 HydrophobicContact CD2-CE1 4.43Å; L890-F942 HydrophobicContact CD2-CZ 4.44Å; C903-F942 VanDerWaalsContact SG-CE2 3.53Å; H905-F942 HydrophobicContact CB-CD2 3.9Å; I921-F942 HydrophobicContact CD1-CD1 3.98Å; I921-F942 HydrophobicContact CD1-CE1 3.33Å; I921-F942 HydrophobicContact CD1-CZ 3.99Å; Y935-F942 HydrophobicContact CD2-CD1 4.17Å; Y935-F942 HydrophobicContact CD2-CE1 4.09Å |
| 943 | E | 94.8 | Very high | 93.6 | Very high | 88 Ų | 88 | 55.9 Ų | 55.9 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 130.3 | 167.2 | -173.8 | -178.6 | -145.9 | 0 | 0 | 109.1 | L933 A934 K936 I945 | L933-E943 CarbonylContact C-O 3.59Å; L933-E943 WeakPolarHBondContact CA-O 3.11Å; A934-E943 PolarHBondContact N-O 2.9Å; A934-E943 PolarHBondContact O-N 3.33Å; K936-E943 WeakPolarHBondContact CE-OE2 3.4Å; K936-E943 HydrophobicContact CG-CB 4.3Å; K936-E943 IonicContact NZ-OE2 2.72Å; K936-E943 PolarHBondContact NZ-OE2 3.39Å; E943-I945 HydrophobicContact CB-CD1 4.42Å; E943-I945 HydrophobicContact CG-CD1 4.09Å; E943-I945 PolarHBondContact O-N 3.37Å; E943-I945 WeakPolarHBondContact OE2-CD1 3.36Å |
| 944 | E | 94.9 | Very high | 93.6 | Very high | 66 Ų | 66 | 56.3 Ų | 56.3 | 31% | 0.308 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 112.7 | 169.8 | -175.6 | 173.7 | 164.7 | 0 | 0 | 108.4 | H905 N907 L931 L933 R947 | H905-E944 IonicContact NE2-OE2 3.54Å; N907-E944 PolarHBondContact ND2-OE2 3.17Å; L931-E944 VanDerWaalsContact CD1-CD 3.48Å; L931-E944 HydrophobicContact CD1-CG 3.85Å; L931-E944 VanDerWaalsContact CD1-OE1 3.29Å; L931-E944 WeakPolarHBondContact CD1-OE1 3.48Å; L933-E944 HydrophobicContact CD2-CB 4.01Å; L933-E944 HydrophobicContact CD2-CG 4.37Å; E944-R947 IonicContact OE1-CZ 3.9Å; E944-R947 VanDerWaalsContact OE1-CZ 3.22Å; E944-R947 IonicContact OE1-NE 3.63Å; E944-R947 PolarHBondContact OE1-NE 3.36Å; E944-R947 IonicContact OE1-NH2 3.78Å; E944-R947 PolarHBondContact OE1-NH2 2.87Å; E944-R947 IonicContact OE2-NH2 2.69Å; E944-R947 PolarHBondContact OE2-NH2 3.48Å |
| 945 | I | 94.1 | Very high | 93.6 | Very high | 38 Ų | 38 | 56.2 Ų | 56.2 | 20% | 0.195 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -54.1 | -177.4 | -58.8 | -59.6 | 0 | 0 | 0 | 109.9 | F920 L932 A934 E943 K979 Q990 | F920-I945 HydrophobicContact CE1-CG1 4.44Å; L932-I945 HydrophobicContact CD2-CB 4.08Å; L932-I945 HydrophobicContact CD2-CG2 3.98Å; L932-I945 HydrophobicContact CG-CB 4.22Å; L932-I945 PolarHBondContact O-N 2.82Å; A934-I945 HydrophobicContact CB-CD1 3.77Å; A934-I945 HydrophobicContact CB-CG1 3.61Å; E943-I945 HydrophobicContact CB-CD1 4.42Å; E943-I945 HydrophobicContact CG-CD1 4.09Å; E943-I945 PolarHBondContact O-N 3.37Å; E943-I945 WeakPolarHBondContact OE2-CD1 3.36Å; I945-K979 HydrophobicContact CG2-CD 4.16Å; I945-Q990 WeakPolarHBondContact O-CA 3.37Å |
| 946 | A | 94.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 158.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L932 R989 Q990 L992 | L932-A946 PolarHBondContact N-O 3.03Å; L932-A946 PolarHBondContact O-N 2.86Å; A946-R989 WeakPolarHBondContact CB-O 3.38Å; A946-Q990 CarbonylContact C-O 3.47Å; A946-Q990 WeakPolarHBondContact CA-O 3.33Å; A946-L992 HydrophobicContact CB-CD1 4.46Å; A946-L992 HydrophobicContact CB-CD2 3.68Å; A946-L992 HydrophobicContact CB-CG 3.65Å |
| 947 | R | 95.1 | Very high | 93.9 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 2% | 0.023 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 146.5 | -179.3 | -173.4 | -172.9 | -63.4 | -122 | -2.5 | 111 | N907 L931 E944 F949 Q990 L992 | N907-R947 PolarHBondContact ND2-NH2 2.98Å; N907-R947 PolarHBondContact O-NH1 2.81Å; N907-R947 PolarHBondContact O-NH2 2.93Å; N907-R947 VanDerWaalsContact O-NH2 3.12Å; L931-R947 HydrophobicContact CD1-CB 4.28Å; L931-R947 HydrophobicContact CD1-CG 4.15Å; E944-R947 IonicContact OE1-CZ 3.9Å; E944-R947 VanDerWaalsContact OE1-CZ 3.22Å; E944-R947 IonicContact OE1-NE 3.63Å; E944-R947 PolarHBondContact OE1-NE 3.36Å; E944-R947 IonicContact OE1-NH2 3.78Å; E944-R947 PolarHBondContact OE1-NH2 2.87Å; E944-R947 IonicContact OE2-NH2 2.69Å; E944-R947 PolarHBondContact OE2-NH2 3.48Å; R947-F949 HydrophobicContact CB-CE2 4.31Å; R947-F949 HydrophobicContact CB-CZ 4.39Å; R947-Q990 PolarHBondContact N-O 3.28Å; R947-L992 PolarHBondContact O-N 3.32Å |
| 948 | D | 95.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.011 | 24% | 0.241 | C | C | . | . | trans | -87 | 124.2 | 162.8 | 175.8 | 24 | 0 | 0 | 0 | 110.2 | S929 V930 N950 N952 L992 | S929-D948 VanDerWaalsContact CB-OD2 3.23Å; S929-D948 WeakPolarHBondContact CB-OD2 3.45Å; S929-D948 PolarHBondContact OG-OD2 3.47Å; V930-D948 HydrophobicContact CG2-CB 3.79Å; V930-D948 PolarHBondContact O-N 2.92Å; D948-N950 WeakPolarHBondContact OD1-CB 3.45Å; D948-N950 PolarHBondContact OD1-N 2.83Å; D948-N950 PolarHBondContact OD1-ND2 2.81Å; D948-N952 PolarHBondContact OD2-ND2 3.08Å; D948-L992 HydrophobicContact CB-CB 4.26Å | ||
| 949 | F | 91.2 | Very high | 94.7 | Very high | 126 Ų | 126 | 39.8 Ų | 39.8 | 55% | 0.553 | 20% | 0.196 | S | C | * | . | trans | -90.2 | -3.4 | -177.1 | -70.1 | -86.9 | 0 | 0 | 0 | 113.5 | R947 H991 | R947-F949 HydrophobicContact CB-CE2 4.31Å; R947-F949 HydrophobicContact CB-CZ 4.39Å; F949-H991 AromaticContact CD2-CD2 3.5Å; F949-H991 VanDerWaalsContact CD2-CD2 3.5Å; F949-H991 WeakPolarHBondContact CD2-CD2 3.29Å; F949-H991 AromaticContact CD2-NE2 3.8Å; F949-H991 AromaticContact CE2-CD2 3.95Å | ||
| 950 | N | 92.1 | Very high | 94.9 | Very high | 52 Ų | 52 | 34.4 Ų | 34.4 | 28% | 0.278 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -68.9 | 138.5 | 174 | -66.6 | -67.5 | 0 | 0 | 0 | 110.9 | S929 D948 N952 E994 | S929-N950 WeakPolarHBondContact CB-O 3.33Å; D948-N950 WeakPolarHBondContact OD1-CB 3.45Å; D948-N950 PolarHBondContact OD1-N 2.83Å; D948-N950 PolarHBondContact OD1-ND2 2.81Å; N950-N952 VanDerWaalsContact C-N 3.34Å; N950-N952 PolarHBondContact O-N 2.81Å; N950-E994 WeakPolarHBondContact CB-OE1 3.37Å; N950-E994 PolarHBondContact ND2-OE1 3.35Å; N950-E994 VanDerWaalsContact ND2-OE1 3.16Å |
| 951 | P | 91.9 | Very high | 94.9 | Very high | 59 Ų | 59 | 35.6 Ų | 35.6 | 38% | 0.383 | 17% | 0.172 | S | C | . | . | trans | -81.5 | 81 | 176.8 | 33 | -33.9 | 0 | 0 | 0 | 110.4 | M927 | M927-P951 CarbonylContact O-C 3.53Å; M927-P951 WeakPolarHBondContact O-CA 3.35Å | ||
| 952 | N | 93.3 | Very high | 94.7 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.027 | 18% | 0.178 | C | C | . | . | trans | -99.8 | 136.3 | 175.1 | -60.4 | -34.7 | 0 | 0 | 0 | 110.1 | M927 S929 D948 N950 M954 F975 E994 | M927-N952 CarbonylContact C-O 3.56Å; M927-N952 VanDerWaalsContact C-O 3.29Å; M927-N952 WeakPolarHBondContact CA-O 3.28Å; S929-N952 PolarHBondContact N-O 2.74Å; S929-N952 PolarHBondContact OG-ND2 2.84Å; D948-N952 PolarHBondContact OD2-ND2 3.08Å; N950-N952 VanDerWaalsContact C-N 3.34Å; N950-N952 PolarHBondContact O-N 2.81Å; N952-M954 HydrophobicContact CB-SD 3.94Å; N952-M954 PolarHBondContact O-N 2.85Å; N952-F975 HydrophobicContact CB-CE1 4.22Å; N952-F975 HydrophobicContact CB-CZ 4.37Å; N952-E994 PolarHBondContact ND2-OE1 3.05Å | ||
| 953 | W | 95.6 | Very high | 94.6 | Very high | 120 Ų | 120 | 38.3 Ų | 38.3 | 46% | 0.455 | 19% | 0.188 | S | C | . | . | trans | -93.1 | 97.3 | -179.4 | -69.8 | 77.1 | 0 | 0 | 0 | 110.3 | L926 M927 E969 N970 | L926-W953 HydrophobicContact CD1-CE3 3.96Å; L926-W953 HydrophobicContact CD1-CZ3 4.11Å; L926-W953 HydrophobicContact CD2-CZ3 4.4Å; L926-W953 HydrophobicContact CG-CE3 4.1Å; L926-W953 HydrophobicContact CG-CZ3 4.03Å; L926-W953 WeakPolarHBondContact O-CA 3.44Å; M927-W953 HydrophobicContact CB-CD2 4.08Å; M927-W953 HydrophobicContact CB-CE3 4.25Å; M927-W953 HydrophobicContact CB-CH2 4.44Å; M927-W953 HydrophobicContact CB-CZ2 4.26Å; M927-W953 HydrophobicContact CB-CZ3 4.43Å; M927-W953 HydrophobicContact CE-CH2 4.47Å; W953-E969 CarbonylContact O-C 3.58Å; W953-E969 WeakPolarHBondContact O-CA 3.2Å; W953-E969 WeakPolarHBondContact O-CB 3.42Å; W953-N970 HydrophobicContact CB-CB 4.13Å; W953-N970 VanDerWaalsContact CB-CG 3.42Å; W953-N970 WeakPolarHBondContact CB-ND2 3.14Å; W953-N970 PolarHBondContact O-N 3.13Å | ||
| 954 | M | 96.8 | Very high | 94.6 | Very high | 8 Ų | 8 | 34.9 Ų | 34.9 | 4% | 0.039 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 138.6 | -165.6 | -56.6 | -51.2 | -64.4 | 0 | 0 | 112.8 | Y913 D925 V930 N952 V957 A968 F975 | Y913-M954 HydrophobicContact CD2-CB 3.97Å; Y913-M954 HydrophobicContact CE2-CB 3.72Å; Y913-M954 VanDerWaalsContact CE2-O 3.24Å; Y913-M954 WeakPolarHBondContact CE2-O 3.27Å; Y913-M954 PolarHBondContact OH-O 3.16Å; D925-M954 VanDerWaalsContact O-CB 3.22Å; D925-M954 WeakPolarHBondContact O-CB 3.24Å; D925-M954 WeakPolarHBondContact O-CG 3.43Å; V930-M954 HydrophobicContact CG1-CE 3.74Å; V930-M954 HydrophobicContact CG1-SD 4.41Å; N952-M954 HydrophobicContact CB-SD 3.94Å; N952-M954 PolarHBondContact O-N 2.85Å; M954-V957 HydrophobicContact CE-CG1 3.59Å; M954-A968 WeakPolarHBondContact CE-O 3.31Å; M954-F975 HydrophobicContact CE-CE1 3.74Å; M954-F975 HydrophobicContact CE-CZ 3.53Å; M954-F975 HydrophobicContact SD-CE1 3.89Å; M954-F975 HydrophobicContact SD-CZ 3.69Å |
| 955 | S | 96.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | -35.3 | 173.6 | 59.4 | 0 | 0 | 0 | 0 | 112.2 | Y913 A968 E969 V1004 | Y913-S955 WeakPolarHBondContact CE1-O 3.41Å; Y913-S955 VanDerWaalsContact CZ-C 3.43Å; Y913-S955 WeakPolarHBondContact OH-CA 3.35Å; Y913-S955 PolarHBondContact OH-O 2.84Å; Y913-S955 VanDerWaalsContact OH-O 3.07Å; S955-A968 PolarHBondContact N-O 3.34Å; S955-A968 WeakPolarHBondContact OG-CB 3.47Å; S955-A968 PolarHBondContact OG-O 3.38Å; S955-E969 PolarHBondContact OG-N 2.76Å; S955-V1004 VanDerWaalsContact CB-O 3.29Å; S955-V1004 WeakPolarHBondContact CB-O 3.43Å; S955-V1004 PolarHBondContact OG-O 2.75Å |
| 956 | A | 97.5 | Very high | 94.9 | Very high | 3 Ų | 3 | 30 Ų | 30 | 3% | 0.025 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 157.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | A968 V1004 F1007 | A956-A968 HydrophobicContact CB-CB 4.48Å; A956-A968 PolarHBondContact N-O 3.16Å; A956-A968 PolarHBondContact O-N 2.78Å; A956-V1004 HydrophobicContact CB-CG1 4.01Å; A956-F1007 HydrophobicContact CB-CD2 3.46Å; A956-F1007 VanDerWaalsContact CB-CD2 3.46Å; A956-F1007 HydrophobicContact CB-CE2 3.61Å; A956-F1007 HydrophobicContact CB-CG 4.47Å |
| 957 | V | 97.9 | Very high | 95 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 150.9 | 176.6 | -57 | 0 | 0 | 0 | 0 | 110.9 | K915 L922 V930 M954 L966 | K915-V957 WeakPolarHBondContact CE-O 3.44Å; K915-V957 HydrophobicContact CG-CG2 4.01Å; K915-V957 WeakPolarHBondContact CG-O 3.5Å; L922-V957 HydrophobicContact CD2-CB 4.02Å; L922-V957 HydrophobicContact CD2-CG2 4.24Å; L922-V957 HydrophobicContact CG-CG2 4.49Å; V930-V957 HydrophobicContact CG1-CG1 3.91Å; M954-V957 HydrophobicContact CE-CG1 3.59Å; V957-L966 CarbonylContact C-O 3.59Å; V957-L966 WeakPolarHBondContact CA-O 3.37Å |
| 958 | E | 97.9 | Very high | 95.2 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 148.9 | 174.4 | -165.5 | 54.5 | -85.2 | 0 | 0 | 112.4 | K915 L966 F1007 H1009 V1028 | K915-E958 WeakPolarHBondContact CD-OE1 3.24Å; K915-E958 WeakPolarHBondContact CE-OE2 3.44Å; K915-E958 IonicContact NZ-OE1 3.14Å; K915-E958 IonicContact NZ-OE2 2.74Å; K915-E958 PolarHBondContact NZ-OE2 2.95Å; E958-L966 HydrophobicContact CB-CB 4.46Å; E958-L966 PolarHBondContact N-O 2.88Å; E958-L966 PolarHBondContact O-N 2.84Å; E958-F1007 HydrophobicContact CB-CB 3.66Å; E958-F1007 HydrophobicContact CB-CD2 4.06Å; E958-F1007 HydrophobicContact CB-CG 3.89Å; E958-F1007 HydrophobicContact CG-CB 4Å; E958-H1009 IonicContact OE1-CD2 3.27Å; E958-H1009 IonicContact OE1-NE2 2.71Å; E958-H1009 IonicContact OE2-CD2 3.29Å; E958-V1028 HydrophobicContact CB-CG1 4.4Å; E958-V1028 HydrophobicContact CG-CG1 3.84Å; E958-V1028 HydrophobicContact CG-CG2 4.19Å |
| 959 | I | 97.4 | Very high | 95.2 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 116.4 | 173.6 | -59.1 | 174.2 | 0 | 0 | 0 | 108 | K915 K917 L922 D961 F965 H1009 | K915-I959 HydrophobicContact CB-CD1 4.02Å; K915-I959 HydrophobicContact CB-CG1 4Å; K917-I959 HydrophobicContact CB-CD1 3.86Å; K917-I959 HydrophobicContact CB-CG2 4.02Å; K917-I959 HydrophobicContact CD-CG2 3.69Å; K917-I959 HydrophobicContact CG-CG2 4.5Å; L922-I959 HydrophobicContact CB-CD1 3.85Å; L922-I959 HydrophobicContact CB-CG1 3.71Å; L922-I959 HydrophobicContact CD2-CG1 3.84Å; L922-I959 HydrophobicContact CG-CG1 4.42Å; I959-D961 WeakPolarHBondContact CG2-O 3.46Å; I959-F965 HydrophobicContact CG1-CD1 4.19Å; I959-F965 HydrophobicContact CG2-CD1 4.17Å; I959-F965 HydrophobicContact CG2-CE1 4.18Å; I959-H1009 PolarHBondContact O-CE1 3.25Å; I959-H1009 VanDerWaalsContact O-CE1 3.22Å; I959-H1009 PolarHBondContact O-NE2 3.42Å |
| 960 | L | 94.3 | Very high | 95.4 | Very high | 24 Ų | 24 | 27.2 Ų | 27.2 | 13% | 0.126 | 14% | 0.14 | C | C | . | . | trans | -80.2 | -53.2 | 177.9 | -59.4 | 179.1 | 0 | 0 | 0 | 110.2 | N4 N964 L966 V976 V1028 | N4-L960 WeakPolarHBondContact OD1-CD1 3.45Å; L960-N964 HydrophobicContact CB-CB 4.35Å; L960-N964 WeakPolarHBondContact CB-O 3.32Å; L960-N964 HydrophobicContact CD1-CB 4.42Å; L960-N964 PolarHBondContact N-O 2.87Å; L960-N964 VanDerWaalsContact N-O 3.09Å; L960-L966 HydrophobicContact CD1-CB 4.16Å; L960-L966 HydrophobicContact CD2-CB 3.96Å; L960-L966 HydrophobicContact CD2-CD2 4.19Å; L960-L966 HydrophobicContact CG-CB 3.93Å; L960-V976 HydrophobicContact CD1-CG1 4.33Å; L960-V976 HydrophobicContact CD1-CG2 4.12Å; L960-V1028 HydrophobicContact CD2-CG2 3.95Å | ||
| 961 | D | 91.3 | Very high | 95.5 | Very high | 48 Ų | 48 | 25.9 Ų | 25.9 | 26% | 0.257 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -144.2 | -165.5 | 176.1 | 61.2 | 46.6 | 0 | 0 | 0 | 110.7 | K917 I959 D963 N964 | K917-D961 VanDerWaalsContact NZ-C 3.33Å; K917-D961 VanDerWaalsContact NZ-CA 3.31Å; I959-D961 WeakPolarHBondContact CG2-O 3.46Å; D961-D963 PolarHBondContact O-N 3.2Å; D961-D963 PolarHBondContact OD1-N 3.05Å; D961-N964 VanDerWaalsContact CG-ND2 3.32Å; D961-N964 PolarHBondContact N-O 3.08Å; D961-N964 WeakPolarHBondContact OD1-CB 3.49Å; D961-N964 PolarHBondContact OD1-N 3.15Å; D961-N964 PolarHBondContact OD1-ND2 2.74Å; D961-N964 VanDerWaalsContact OD1-ND2 3.14Å; D961-N964 PolarHBondContact OD2-ND2 3.42Å |
| 962 | D | 90.9 | Very high | 95.7 | Very high | 82 Ų | 82 | 26.2 Ų | 26.2 | 44% | 0.439 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -73.9 | -15 | -175.9 | -62.6 | -18.4 | 0 | 0 | 0 | 113.4 | K917 K979 | K917-D962 WeakPolarHBondContact CD-OD1 3.22Å; K917-D962 WeakPolarHBondContact CE-OD1 3.39Å; K917-D962 IonicContact NZ-OD1 3.34Å; K917-D962 PolarHBondContact NZ-OD1 2.85Å; D962-K979 PolarHBondContact O-NZ 3.5Å |
| 963 | D | 92.4 | Very high | 95.9 | Very high | 59 Ų | 59 | 26 Ų | 26 | 32% | 0.316 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -121.4 | -21.4 | -174.5 | -64.9 | -39.5 | 0 | 0 | 0 | 113.2 | D961 F965 Q978 K979 | D961-D963 PolarHBondContact O-N 3.2Å; D961-D963 PolarHBondContact OD1-N 3.05Å; D963-F965 WeakPolarHBondContact O-CE2 3.49Å; D963-Q978 CarbonylContact O-C 3.55Å; D963-Q978 VanDerWaalsContact O-CA 3.28Å; D963-Q978 WeakPolarHBondContact O-CA 3.41Å; D963-K979 PolarHBondContact O-N 2.95Å; D963-K979 WeakPolarHBondContact OD1-CE 3.4Å; D963-K979 IonicContact OD1-NZ 2.8Å; D963-K979 PolarHBondContact OD1-NZ 3.09Å |
| 964 | N | 95.3 | Very high | 96 | Very high | 15 Ų | 15 | 20.4 Ų | 20.4 | 8% | 0.08 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 128.5 | -175.4 | -59.1 | -59 | 0 | 0 | 0 | 111.9 | S2 L960 D961 V976 C977 Q978 | S2-N964 WeakPolarHBondContact CB-OD1 3.16Å; L960-N964 HydrophobicContact CB-CB 4.35Å; L960-N964 WeakPolarHBondContact CB-O 3.32Å; L960-N964 HydrophobicContact CD1-CB 4.42Å; L960-N964 PolarHBondContact N-O 2.87Å; L960-N964 VanDerWaalsContact N-O 3.09Å; D961-N964 VanDerWaalsContact CG-ND2 3.32Å; D961-N964 PolarHBondContact N-O 3.08Å; D961-N964 WeakPolarHBondContact OD1-CB 3.49Å; D961-N964 PolarHBondContact OD1-N 3.15Å; D961-N964 PolarHBondContact OD1-ND2 2.74Å; D961-N964 VanDerWaalsContact OD1-ND2 3.14Å; D961-N964 PolarHBondContact OD2-ND2 3.42Å; N964-V976 HydrophobicContact CB-CG1 4.06Å; N964-C977 WeakPolarHBondContact CA-O 3.44Å; N964-Q978 WeakPolarHBondContact OD1-CG 3.42Å; N964-Q978 PolarHBondContact OD1-NE2 3.46Å |
| 965 | F | 97.1 | Very high | 96 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.009 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 125.2 | -175.4 | -47.6 | -68.8 | 0 | 0 | 0 | 110.2 | L922 L932 I959 D963 V976 C977 K979 L992 | L922-F965 HydrophobicContact CD1-CB 3.97Å; L922-F965 HydrophobicContact CD1-CD1 4.06Å; L922-F965 HydrophobicContact CD1-CG 3.96Å; L922-F965 HydrophobicContact CD2-CB 3.94Å; L922-F965 HydrophobicContact CD2-CD1 4.22Å; L922-F965 HydrophobicContact CD2-CG 4.42Å; L932-F965 HydrophobicContact CD1-CE1 3.76Å; L932-F965 HydrophobicContact CD1-CE2 4.32Å; L932-F965 HydrophobicContact CD1-CZ 3.63Å; L932-F965 HydrophobicContact CD2-CE2 3.82Å; L932-F965 HydrophobicContact CD2-CZ 3.56Å; L932-F965 HydrophobicContact CG-CZ 4.17Å; I959-F965 HydrophobicContact CG1-CD1 4.19Å; I959-F965 HydrophobicContact CG2-CD1 4.17Å; I959-F965 HydrophobicContact CG2-CE1 4.18Å; D963-F965 WeakPolarHBondContact O-CE2 3.49Å; F965-V976 CarbonylContact O-C 3.51Å; F965-V976 VanDerWaalsContact O-CA 3.29Å; F965-V976 WeakPolarHBondContact O-CA 3.4Å; F965-C977 HydrophobicContact CB-CB 4.45Å; F965-C977 PolarHBondContact N-O 3.36Å; F965-C977 PolarHBondContact O-N 2.81Å; F965-K979 HydrophobicContact CE2-CB 4.25Å; F965-L992 HydrophobicContact CD2-CD1 4.44Å; F965-L992 HydrophobicContact CD2-CD2 4.19Å; F965-L992 HydrophobicContact CE2-CD2 4.04Å |
| 966 | L | 98 | Very high | 96 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 133.9 | 179.8 | 178.9 | 67.1 | 0 | 0 | 0 | 110.2 | V957 E958 L960 L974 V976 F1007 V1040 F1089 | V957-L966 CarbonylContact C-O 3.59Å; V957-L966 WeakPolarHBondContact CA-O 3.37Å; E958-L966 HydrophobicContact CB-CB 4.46Å; E958-L966 PolarHBondContact N-O 2.88Å; E958-L966 PolarHBondContact O-N 2.84Å; L960-L966 HydrophobicContact CD1-CB 4.16Å; L960-L966 HydrophobicContact CD2-CB 3.96Å; L960-L966 HydrophobicContact CD2-CD2 4.19Å; L960-L966 HydrophobicContact CG-CB 3.93Å; L966-L974 HydrophobicContact CD1-CB 4.49Å; L966-V976 HydrophobicContact CD1-CG2 3.84Å; L966-F1007 HydrophobicContact CD2-CD1 4.08Å; L966-F1007 HydrophobicContact CD2-CE1 3.58Å; L966-F1007 HydrophobicContact CD2-CE2 4.27Å; L966-F1007 HydrophobicContact CD2-CZ 3.7Å; L966-F1007 HydrophobicContact CG-CE1 4.47Å; L966-F1007 HydrophobicContact CG-CE2 4.4Å; L966-F1007 HydrophobicContact CG-CZ 4.1Å; L966-V1040 HydrophobicContact CD2-CB 4.42Å; L966-V1040 HydrophobicContact CD2-CG1 4.4Å; L966-V1040 HydrophobicContact CD2-CG2 4.06Å; L966-F1089 HydrophobicContact CD1-CZ 3.96Å |
| 967 | G | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 143.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L974 F975 | G967-L974 WeakPolarHBondContact O-CA 3.42Å; G967-F975 PolarHBondContact N-O 2.82Å; G967-F975 PolarHBondContact O-N 3.47Å |
| 968 | A | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 144.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | M954 S955 A956 N973 L974 V1004 F1007 | M954-A968 WeakPolarHBondContact CE-O 3.31Å; S955-A968 PolarHBondContact N-O 3.34Å; S955-A968 WeakPolarHBondContact OG-CB 3.47Å; S955-A968 PolarHBondContact OG-O 3.38Å; A956-A968 HydrophobicContact CB-CB 4.48Å; A956-A968 PolarHBondContact N-O 3.16Å; A956-A968 PolarHBondContact O-N 2.78Å; A968-N973 WeakPolarHBondContact CA-O 3.28Å; A968-L974 HydrophobicContact CB-CD2 3.64Å; A968-V1004 HydrophobicContact CB-CB 3.86Å; A968-V1004 HydrophobicContact CB-CG1 4.47Å; A968-V1004 HydrophobicContact CB-CG2 4.14Å; A968-F1007 HydrophobicContact CB-CE2 3.81Å; A968-F1007 HydrophobicContact CB-CZ 3.96Å |
| 969 | E | 95.5 | Very high | 95.5 | Very high | 5 Ų | 5 | 22.2 Ų | 22.2 | 2% | 0.023 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 168.1 | -178 | 67 | 151.8 | 168.9 | 0 | 0 | 114.3 | W953 S955 A971 F972 N973 F1077 T1079 | W953-E969 CarbonylContact O-C 3.58Å; W953-E969 WeakPolarHBondContact O-CA 3.2Å; W953-E969 WeakPolarHBondContact O-CB 3.42Å; S955-E969 PolarHBondContact OG-N 2.76Å; E969-A971 HydrophobicContact CG-CB 4.47Å; E969-A971 PolarHBondContact O-N 3.45Å; E969-F972 PolarHBondContact O-N 2.8Å; E969-F972 VanDerWaalsContact O-N 3.11Å; E969-N973 HydrophobicContact CG-CB 3.92Å; E969-N973 PolarHBondContact N-O 3.34Å; E969-N973 VanDerWaalsContact N-O 3.08Å; E969-N973 WeakPolarHBondContact OE1-CB 3.46Å; E969-N973 PolarHBondContact OE1-ND2 2.88Å; E969-F1077 VanDerWaalsContact OE1-CZ 3.3Å; E969-F1077 WeakPolarHBondContact OE1-CZ 3.15Å; E969-T1079 WeakPolarHBondContact OE1-CG2 3.19Å |
| 970 | N | 95 | Very high | 95 | Very high | 69 Ų | 69 | 24.5 Ų | 24.5 | 37% | 0.369 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -24.9 | -176 | 71.6 | -11.7 | 0 | 0 | 0 | 114.7 | W953 F972 F1003 | W953-N970 HydrophobicContact CB-CB 4.13Å; W953-N970 VanDerWaalsContact CB-CG 3.42Å; W953-N970 WeakPolarHBondContact CB-ND2 3.14Å; W953-N970 PolarHBondContact O-N 3.13Å; N970-F972 PolarHBondContact O-N 2.75Å; N970-F972 VanDerWaalsContact O-N 3.16Å; N970-F1003 HydrophobicContact CB-CE2 4.12Å |
| 971 | A | 94.2 | Very high | 94.1 | Very high | 24 Ų | 24 | 26.9 Ų | 26.9 | 20% | 0.198 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 15.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E969 N973 H999 T1079 | E969-A971 HydrophobicContact CG-CB 4.47Å; E969-A971 PolarHBondContact O-N 3.45Å; A971-N973 VanDerWaalsContact C-N 3.3Å; A971-N973 PolarHBondContact O-N 3.16Å; A971-H999 PolarHBondContact O-CE1 2.97Å; A971-T1079 HydrophobicContact CB-CG2 4.13Å |
| 972 | F | 96.7 | Very high | 93.4 | Very high | 66 Ų | 66 | 28.8 Ų | 28.8 | 29% | 0.289 | 17% | 0.169 | S | C | . | . | S | Bend | trans | 65.4 | 29.2 | 177.6 | -40 | -75.5 | 0 | 0 | 0 | 113.8 | K60 E969 N970 L1000 G1001 E1002 F1003 | K60-F972 HydrophobicContact CD-CD2 4.28Å; K60-F972 HydrophobicContact CD-CE2 4.43Å; E969-F972 PolarHBondContact O-N 2.8Å; E969-F972 VanDerWaalsContact O-N 3.11Å; N970-F972 PolarHBondContact O-N 2.75Å; N970-F972 VanDerWaalsContact O-N 3.16Å; F972-L1000 PolarHBondContact O-N 3.01Å; F972-G1001 PolarHBondContact O-N 3.43Å; F972-E1002 WeakPolarHBondContact CA-O 3.35Å; F972-E1002 WeakPolarHBondContact CB-O 3.28Å; F972-F1003 HydrophobicContact CD1-CB 3.91Å; F972-F1003 HydrophobicContact CD1-CD2 4.29Å; F972-F1003 HydrophobicContact CE1-CB 3.92Å; F972-F1003 HydrophobicContact CE1-CD2 4.06Å |
| 973 | N | 96.9 | Very high | 93 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.011 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 153.9 | 178.4 | -55.4 | -56.9 | 0 | 0 | 0 | 111.9 | A968 E969 A971 F998 H999 F1077 H1078 | A968-N973 WeakPolarHBondContact CA-O 3.28Å; E969-N973 HydrophobicContact CG-CB 3.92Å; E969-N973 PolarHBondContact N-O 3.34Å; E969-N973 VanDerWaalsContact N-O 3.08Å; E969-N973 WeakPolarHBondContact OE1-CB 3.46Å; E969-N973 PolarHBondContact OE1-ND2 2.88Å; A971-N973 VanDerWaalsContact C-N 3.3Å; A971-N973 PolarHBondContact O-N 3.16Å; N973-F998 CarbonylContact C-O 3.57Å; N973-F998 WeakPolarHBondContact CA-O 3.19Å; N973-H999 WeakPolarHBondContact OD1-CA 3.21Å; N973-H999 WeakPolarHBondContact OD1-CB 3.09Å; N973-H999 PolarHBondContact OD1-ND1 3.21Å; N973-F1077 HydrophobicContact CB-CD2 3.59Å; N973-F1077 HydrophobicContact CB-CE2 3.38Å; N973-F1077 HydrophobicContact CB-CZ 4.16Å; N973-H1078 PolarHBondContact ND2-O 3.46Å; N973-H1078 PolarHBondContact OD1-N 3.08Å |
| 974 | L | 97.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 146.3 | 164.9 | -62.3 | -179.8 | 0 | 0 | 0 | 109.6 | V6 L966 G967 A968 F998 L1000 V1004 F1007 F1089 | V6-L974 HydrophobicContact CG2-CD1 4.34Å; L966-L974 HydrophobicContact CD1-CB 4.49Å; G967-L974 WeakPolarHBondContact O-CA 3.42Å; A968-L974 HydrophobicContact CB-CD2 3.64Å; L974-F998 HydrophobicContact CB-CB 4.46Å; L974-F998 HydrophobicContact CD1-CD1 4.42Å; L974-F998 PolarHBondContact N-O 3.11Å; L974-F998 PolarHBondContact O-N 2.69Å; L974-L1000 HydrophobicContact CD1-CB 4.38Å; L974-L1000 HydrophobicContact CD1-CD1 4.35Å; L974-L1000 HydrophobicContact CD1-CD2 4.21Å; L974-L1000 HydrophobicContact CD2-CD2 4.38Å; L974-L1000 HydrophobicContact CG-CB 4.14Å; L974-L1000 HydrophobicContact CG-CD2 4.24Å; L974-V1004 HydrophobicContact CD2-CG2 4.36Å; L974-F1007 HydrophobicContact CD2-CZ 3.93Å; L974-F1089 HydrophobicContact CB-CZ 4.12Å |
| 975 | F | 97.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 155.5 | 171.2 | 65.8 | -86.9 | 0 | 0 | 0 | 111.2 | S929 V930 N952 M954 G967 E994 G996 V997 F1077 | S929-F975 WeakPolarHBondContact OG-CZ 3.33Å; V930-F975 HydrophobicContact CG1-CE2 4.41Å; V930-F975 HydrophobicContact CG1-CZ 4.25Å; V930-F975 HydrophobicContact CG2-CE2 4.31Å; N952-F975 HydrophobicContact CB-CE1 4.22Å; N952-F975 HydrophobicContact CB-CZ 4.37Å; M954-F975 HydrophobicContact CE-CE1 3.74Å; M954-F975 HydrophobicContact CE-CZ 3.53Å; M954-F975 HydrophobicContact SD-CE1 3.89Å; M954-F975 HydrophobicContact SD-CZ 3.69Å; G967-F975 PolarHBondContact N-O 2.82Å; G967-F975 PolarHBondContact O-N 3.47Å; F975-E994 HydrophobicContact CD2-CG 4.29Å; F975-G996 CarbonylContact C-O 3.51Å; F975-G996 WeakPolarHBondContact CA-O 3.29Å; F975-G996 WeakPolarHBondContact CB-O 3.43Å; F975-V997 HydrophobicContact CB-CG1 4.32Å; F975-F1077 HydrophobicContact CB-CE2 4.38Å |
| 976 | V | 97.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 123.3 | 175.1 | 177.5 | 0 | 0 | 0 | 0 | 109.8 | L960 N964 F965 L966 E994 V995 G996 F1089 | L960-V976 HydrophobicContact CD1-CG1 4.33Å; L960-V976 HydrophobicContact CD1-CG2 4.12Å; N964-V976 HydrophobicContact CB-CG1 4.06Å; F965-V976 CarbonylContact O-C 3.51Å; F965-V976 VanDerWaalsContact O-CA 3.29Å; F965-V976 WeakPolarHBondContact O-CA 3.4Å; L966-V976 HydrophobicContact CD1-CG2 3.84Å; V976-E994 CarbonylContact O-C 3.58Å; V976-E994 WeakPolarHBondContact O-CA 3.09Å; V976-V995 HydrophobicContact CG1-CG2 4.26Å; V976-V995 WeakPolarHBondContact O-CG2 3.42Å; V976-V995 PolarHBondContact O-N 2.86Å; V976-G996 PolarHBondContact N-O 3.05Å; V976-G996 PolarHBondContact O-N 2.89Å; V976-F1089 HydrophobicContact CG2-CE2 3.87Å; V976-F1089 HydrophobicContact CG2-CZ 3.59Å |
| 977 | C | 96.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 135 | 173.2 | -79.3 | 0 | 0 | 0 | 0 | 110.1 | V930 N964 F965 L992 Q993 | V930-C977 HydrophobicContact CG2-CB 4.18Å; N964-C977 WeakPolarHBondContact CA-O 3.44Å; F965-C977 HydrophobicContact CB-CB 4.45Å; F965-C977 PolarHBondContact N-O 3.36Å; F965-C977 PolarHBondContact O-N 2.81Å; C977-L992 HydrophobicContact CB-CB 4.05Å; C977-L992 HydrophobicContact CB-CD1 4.3Å; C977-Q993 CarbonylContact C-O 3.43Å; C977-Q993 WeakPolarHBondContact CA-O 3.32Å |
| 978 | Q | 94.6 | Very high | 90.3 | Very high | 38 Ų | 38 | 48.1 Ų | 48.1 | 18% | 0.178 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 138 | 175.4 | -174.4 | 163.9 | 39.4 | 0 | 0 | 111.6 | D963 N964 Q993 V995 | D963-Q978 CarbonylContact O-C 3.55Å; D963-Q978 VanDerWaalsContact O-CA 3.28Å; D963-Q978 WeakPolarHBondContact O-CA 3.41Å; N964-Q978 WeakPolarHBondContact OD1-CG 3.42Å; N964-Q978 PolarHBondContact OD1-NE2 3.46Å; Q978-Q993 PolarHBondContact N-O 2.86Å; Q978-Q993 PolarHBondContact O-N 3.09Å; Q978-V995 HydrophobicContact CB-CB 4.42Å; Q978-V995 HydrophobicContact CB-CG1 3.84Å; Q978-V995 HydrophobicContact CB-CG2 3.66Å |
| 979 | K | 92 | Very high | 89.7 | Confident | 26 Ų | 26 | 53 Ų | 53 | 11% | 0.113 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 120.9 | 170.7 | -173 | -179.5 | 73.1 | -139.9 | 0 | 110.3 | L932 I945 D962 D963 F965 S981 L992 | L932-K979 HydrophobicContact CD2-CD 3.99Å; I945-K979 HydrophobicContact CG2-CD 4.16Å; D962-K979 PolarHBondContact O-NZ 3.5Å; D963-K979 PolarHBondContact O-N 2.95Å; D963-K979 WeakPolarHBondContact OD1-CE 3.4Å; D963-K979 IonicContact OD1-NZ 2.8Å; D963-K979 PolarHBondContact OD1-NZ 3.09Å; F965-K979 HydrophobicContact CE2-CB 4.25Å; K979-S981 WeakPolarHBondContact CE-OG 3.27Å; K979-S981 PolarHBondContact O-N 2.98Å; K979-L992 HydrophobicContact CB-CD2 4.21Å |
| 980 | D | 85.6 | Confident | 89.5 | Confident | 52 Ų | 52 | 58 Ų | 58 | 28% | 0.278 | 31% | 0.314 | S | S | . | . | trans | -87.2 | 81.8 | 173.8 | -167.4 | -8.5 | 0 | 0 | 0 | 111.3 | A982 A983 | D980-A982 PolarHBondContact O-N 2.74Å; D980-A982 PolarHBondContact OD1-N 3.37Å; D980-A983 HydrophobicContact CB-CB 4.21Å; D980-A983 PolarHBondContact O-N 3.32Å; D980-A983 PolarHBondContact OD1-N 3.1Å | ||
| 981 | S | 76.1 | Confident | 89.4 | Confident | 73 Ų | 73 | 58 Ų | 58 | 51% | 0.51 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -16.9 | 175.7 | -57.5 | 0 | 0 | 0 | 0 | 113.2 | K979 | K979-S981 WeakPolarHBondContact CE-OG 3.27Å; K979-S981 PolarHBondContact O-N 2.98Å |
| 982 | A | 76.9 | Confident | 89.3 | Confident | 88 Ų | 88 | 56.9 Ų | 56.9 | 73% | 0.727 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -9.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D980 | D980-A982 PolarHBondContact O-N 2.74Å; D980-A982 PolarHBondContact OD1-N 3.37Å |
| 983 | A | 81.8 | Confident | 89.1 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 5% | 0.05 | 31% | 0.31 | C | S | . | . | trans | -53.3 | 141.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D980 E988 R989 | D980-A983 HydrophobicContact CB-CB 4.21Å; D980-A983 PolarHBondContact O-N 3.32Å; D980-A983 PolarHBondContact OD1-N 3.1Å; A983-E988 HydrophobicContact CB-CB 3.61Å; A983-R989 HydrophobicContact CB-CG 3.76Å; A983-R989 PolarHBondContact O-NE 3.49Å; A983-R989 PolarHBondContact O-NH2 3.2Å | ||
| 984 | T | 83.9 | Confident | 88.9 | Confident | 126 Ų | 126 | 60 Ų | 60 | 77% | 0.773 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -85.8 | -21.7 | -173.7 | 59.5 | 0 | 0 | 0 | 0 | 113.1 | ||
| 985 | T | 87.2 | Confident | 88.8 | Confident | 59 Ų | 59 | 61.6 Ų | 61.6 | 36% | 0.362 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -111 | 149.2 | 178.7 | 66.6 | 0 | 0 | 0 | 0 | 111.2 | E987 E988 R989 | T985-E987 PolarHBondContact O-N 3.13Å; T985-E988 PolarHBondContact N-OE2 2.97Å; T985-E988 PolarHBondContact O-N 3.43Å; T985-E988 VanDerWaalsContact OG1-CB 3.29Å; T985-E988 WeakPolarHBondContact OG1-CB 3.38Å; T985-E988 WeakPolarHBondContact OG1-CG 3.27Å; T985-E988 PolarHBondContact OG1-N 3.12Å; T985-E988 PolarHBondContact OG1-OE2 3.07Å; T985-R989 WeakPolarHBondContact O-CG 3.42Å; T985-R989 PolarHBondContact O-N 2.88Å |
| 986 | D | 82.7 | Confident | 88.7 | Confident | 114 Ų | 114 | 61.6 Ų | 61.6 | 61% | 0.61 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -67.9 | -27.3 | 177.4 | -69 | -26.3 | 0 | 0 | 0 | 112.1 | R989 Q990 | D986-R989 PolarHBondContact O-N 2.87Å; D986-R989 IonicContact OD1-NH1 3.76Å; D986-R989 PolarHBondContact OD1-NH1 2.68Å; D986-Q990 WeakPolarHBondContact O-CG 3.34Å; D986-Q990 PolarHBondContact O-N 3.06Å |
| 987 | E | 85.9 | Confident | 88.6 | Confident | 165 Ų | 165 | 61.8 Ų | 61.8 | 77% | 0.771 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.7 | -44.1 | 175.7 | -173 | 174.6 | -171.8 | 0 | 0 | 111.8 | T985 R989 Q990 | T985-E987 PolarHBondContact O-N 3.13Å; E987-R989 VanDerWaalsContact C-N 3.31Å; E987-R989 PolarHBondContact O-N 2.9Å; E987-Q990 PolarHBondContact O-N 3.02Å |
| 988 | E | 83.8 | Confident | 88.6 | Confident | 95 Ų | 95 | 62 Ų | 62 | 44% | 0.444 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.7 | -36.1 | 175.2 | -73.5 | 164.1 | 163.6 | 0 | 0 | 111.8 | A983 T985 Q990 H991 | A983-E988 HydrophobicContact CB-CB 3.61Å; T985-E988 PolarHBondContact N-OE2 2.97Å; T985-E988 PolarHBondContact O-N 3.43Å; T985-E988 VanDerWaalsContact OG1-CB 3.29Å; T985-E988 WeakPolarHBondContact OG1-CB 3.38Å; T985-E988 WeakPolarHBondContact OG1-CG 3.27Å; T985-E988 PolarHBondContact OG1-N 3.12Å; T985-E988 PolarHBondContact OG1-OE2 3.07Å; E988-Q990 VanDerWaalsContact C-N 3.26Å; E988-Q990 PolarHBondContact O-N 2.75Å; E988-H991 PolarHBondContact O-N 3.28Å; E988-H991 VanDerWaalsContact O-N 3.13Å |
| 989 | R | 86.2 | Confident | 88.7 | Confident | 105 Ų | 105 | 60.5 Ų | 60.5 | 40% | 0.396 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.2 | -28.9 | 175.6 | -71.1 | 177 | -174 | 167.3 | 0.5 | 113.3 | A946 A983 T985 D986 E987 H991 | A946-R989 WeakPolarHBondContact CB-O 3.38Å; A983-R989 HydrophobicContact CB-CG 3.76Å; A983-R989 PolarHBondContact O-NE 3.49Å; A983-R989 PolarHBondContact O-NH2 3.2Å; T985-R989 WeakPolarHBondContact O-CG 3.42Å; T985-R989 PolarHBondContact O-N 2.88Å; D986-R989 PolarHBondContact O-N 2.87Å; D986-R989 IonicContact OD1-NH1 3.76Å; D986-R989 PolarHBondContact OD1-NH1 2.68Å; E987-R989 VanDerWaalsContact C-N 3.31Å; E987-R989 PolarHBondContact O-N 2.9Å; R989-H991 PolarHBondContact O-N 3.06Å |
| 990 | Q | 90.2 | Very high | 89 | Confident | 109 Ų | 109 | 59.7 Ų | 59.7 | 51% | 0.509 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -8 | 176.4 | -72.8 | 172.1 | 11 | 0 | 0 | 113 | I945 A946 R947 D986 E987 E988 | I945-Q990 WeakPolarHBondContact O-CA 3.37Å; A946-Q990 CarbonylContact C-O 3.47Å; A946-Q990 WeakPolarHBondContact CA-O 3.33Å; R947-Q990 PolarHBondContact N-O 3.28Å; D986-Q990 WeakPolarHBondContact O-CG 3.34Å; D986-Q990 PolarHBondContact O-N 3.06Å; E987-Q990 PolarHBondContact O-N 3.02Å; E988-Q990 VanDerWaalsContact C-N 3.26Å; E988-Q990 PolarHBondContact O-N 2.75Å |
| 991 | H | 92.9 | Very high | 89.4 | Confident | 70 Ų | 70 | 57.2 Ų | 57.2 | 32% | 0.324 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -100.6 | 120.6 | -178.8 | -164.6 | -73 | 0 | 0 | 0 | 111.2 | F949 E988 R989 | F949-H991 AromaticContact CD2-CD2 3.5Å; F949-H991 VanDerWaalsContact CD2-CD2 3.5Å; F949-H991 WeakPolarHBondContact CD2-CD2 3.29Å; F949-H991 AromaticContact CD2-NE2 3.8Å; F949-H991 AromaticContact CE2-CD2 3.95Å; E988-H991 PolarHBondContact O-N 3.28Å; E988-H991 VanDerWaalsContact O-N 3.13Å; R989-H991 PolarHBondContact O-N 3.06Å |
| 992 | L | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 125.2 | 166.7 | -69.6 | 176.6 | 0 | 0 | 0 | 109.4 | V930 L932 A946 R947 D948 F965 C977 K979 | V930-L992 HydrophobicContact CG2-CD1 4.08Å; L932-L992 HydrophobicContact CB-CD1 4.44Å; A946-L992 HydrophobicContact CB-CD1 4.46Å; A946-L992 HydrophobicContact CB-CD2 3.68Å; A946-L992 HydrophobicContact CB-CG 3.65Å; R947-L992 PolarHBondContact O-N 3.32Å; D948-L992 HydrophobicContact CB-CB 4.26Å; F965-L992 HydrophobicContact CD2-CD1 4.44Å; F965-L992 HydrophobicContact CD2-CD2 4.19Å; F965-L992 HydrophobicContact CE2-CD2 4.04Å; C977-L992 HydrophobicContact CB-CB 4.05Å; C977-L992 HydrophobicContact CB-CD1 4.3Å; K979-L992 HydrophobicContact CB-CD2 4.21Å |
| 993 | Q | 92 | Very high | 91.4 | Very high | 95 Ų | 95 | 52.7 Ų | 52.7 | 44% | 0.444 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 130.1 | 177.5 | -65.3 | -178.6 | 6.9 | 0 | 0 | 110.1 | C977 Q978 V995 | C977-Q993 CarbonylContact C-O 3.43Å; C977-Q993 WeakPolarHBondContact CA-O 3.32Å; Q978-Q993 PolarHBondContact N-O 2.86Å; Q978-Q993 PolarHBondContact O-N 3.09Å; Q993-V995 HydrophobicContact CB-CG1 4.23Å; Q993-V995 PolarHBondContact O-N 3.03Å; Q993-V995 VanDerWaalsContact O-N 3.07Å |
| 994 | E | 93.5 | Very high | 92.2 | Very high | 39 Ų | 39 | 52.5 Ų | 52.5 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 98.6 | 168.6 | -67.8 | -178.9 | 176.4 | 0 | 0 | 108.7 | N950 N952 F975 V976 K1082 | N950-E994 WeakPolarHBondContact CB-OE1 3.37Å; N950-E994 PolarHBondContact ND2-OE1 3.35Å; N950-E994 VanDerWaalsContact ND2-OE1 3.16Å; N952-E994 PolarHBondContact ND2-OE1 3.05Å; F975-E994 HydrophobicContact CD2-CG 4.29Å; V976-E994 CarbonylContact O-C 3.58Å; V976-E994 WeakPolarHBondContact O-CA 3.09Å; E994-K1082 IonicContact OE1-NZ 3.39Å; E994-K1082 IonicContact OE2-NZ 2.66Å; E994-K1082 PolarHBondContact OE2-NZ 3.48Å |
| 995 | V | 94.4 | Very high | 92.9 | Very high | 33 Ų | 33 | 48.5 Ų | 48.5 | 20% | 0.2 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -11.7 | -177 | -66.4 | 0 | 0 | 0 | 0 | 113.2 | V976 Q978 Q993 | V976-V995 HydrophobicContact CG1-CG2 4.26Å; V976-V995 WeakPolarHBondContact O-CG2 3.42Å; V976-V995 PolarHBondContact O-N 2.86Å; Q978-V995 HydrophobicContact CB-CB 4.42Å; Q978-V995 HydrophobicContact CB-CG1 3.84Å; Q978-V995 HydrophobicContact CB-CG2 3.66Å; Q993-V995 HydrophobicContact CB-CG1 4.23Å; Q993-V995 PolarHBondContact O-N 3.03Å; Q993-V995 VanDerWaalsContact O-N 3.07Å |
| 996 | G | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 138.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | F975 V976 T1087 | F975-G996 CarbonylContact C-O 3.51Å; F975-G996 WeakPolarHBondContact CA-O 3.29Å; F975-G996 WeakPolarHBondContact CB-O 3.43Å; V976-G996 PolarHBondContact N-O 3.05Å; V976-G996 PolarHBondContact O-N 2.89Å; G996-T1087 CarbonylContact C-O 3.57Å; G996-T1087 WeakPolarHBondContact CA-O 3.22Å |
| 997 | V | 95.9 | Very high | 94.1 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.03 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 137.6 | -179.9 | -64.8 | 0 | 0 | 0 | 0 | 110.1 | F975 F1077 Q1085 G1086 T1087 | F975-V997 HydrophobicContact CB-CG1 4.32Å; V997-F1077 HydrophobicContact CB-CB 3.86Å; V997-F1077 HydrophobicContact CB-CD2 3.67Å; V997-F1077 HydrophobicContact CB-CE2 4.46Å; V997-F1077 HydrophobicContact CB-CG 3.92Å; V997-F1077 HydrophobicContact CG1-CD2 4.07Å; V997-F1077 HydrophobicContact CG1-CE2 4.44Å; V997-F1077 HydrophobicContact CG1-CG 4.35Å; V997-F1077 HydrophobicContact CG2-CB 4.01Å; V997-Q1085 WeakPolarHBondContact CG2-O 3.23Å; V997-G1086 VanDerWaalsContact O-CA 3.26Å; V997-G1086 WeakPolarHBondContact O-CA 3.2Å; V997-T1087 PolarHBondContact N-O 2.89Å; V997-T1087 PolarHBondContact O-N 3.22Å |
| 998 | F | 96.6 | Very high | 94.5 | Very high | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.022 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 131.7 | -175.1 | -177.7 | -101.8 | 0 | 0 | 0 | 112.2 | V6 N973 L974 L1000 R1075 F1089 D1091 | V6-F998 HydrophobicContact CG1-CE1 4.43Å; N973-F998 CarbonylContact C-O 3.57Å; N973-F998 WeakPolarHBondContact CA-O 3.19Å; L974-F998 HydrophobicContact CB-CB 4.46Å; L974-F998 HydrophobicContact CD1-CD1 4.42Å; L974-F998 PolarHBondContact N-O 3.11Å; L974-F998 PolarHBondContact O-N 2.69Å; F998-L1000 HydrophobicContact CD1-CB 4.38Å; F998-L1000 HydrophobicContact CE1-CB 4.42Å; F998-L1000 HydrophobicContact CE1-CD1 4.12Å; F998-L1000 PolarHBondContact O-N 2.81Å; F998-R1075 HydrophobicContact CD2-CB 4.31Å; F998-R1075 HydrophobicContact CE2-CB 4.03Å; F998-R1075 HydrophobicContact CE2-CG 3.82Å; F998-R1075 VanDerWaalsContact CZ-CD 3.43Å; F998-R1075 HydrophobicContact CZ-CG 4.21Å; F998-R1075 VanDerWaalsContact CZ-CZ 3.46Å; F998-R1075 VanDerWaalsContact CZ-NE 3.33Å; F998-F1089 HydrophobicContact CB-CB 3.77Å; F998-F1089 HydrophobicContact CB-CD1 4.23Å; F998-F1089 HydrophobicContact CB-CD2 3.57Å; F998-F1089 HydrophobicContact CB-CE2 4.14Å; F998-F1089 HydrophobicContact CB-CG 3.6Å; F998-F1089 HydrophobicContact CD2-CB 3.72Å; F998-F1089 HydrophobicContact CD2-CG 4.39Å; F998-F1089 HydrophobicContact CG-CB 3.95Å; F998-F1089 HydrophobicContact CG-CD1 4.49Å; F998-F1089 HydrophobicContact CG-CG 4.11Å; F998-D1091 HydrophobicContact CE2-CB 4.13Å; F998-D1091 HydrophobicContact CZ-CB 4.22Å |
| 999 | H | 97.6 | Very high | 95 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 2% | 0.023 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 108.8 | 171 | -173.8 | 76.8 | 0 | 0 | 0 | 111 | A971 N973 W1074 R1075 S1076 | A971-H999 PolarHBondContact O-CE1 2.97Å; N973-H999 WeakPolarHBondContact OD1-CA 3.21Å; N973-H999 WeakPolarHBondContact OD1-CB 3.09Å; N973-H999 PolarHBondContact OD1-ND1 3.21Å; H999-W1074 WeakPolarHBondContact CB-O 3.48Å; H999-W1074 AromaticContact CD2-CE3 3.87Å; H999-W1074 AromaticContact CD2-CZ3 3.7Å; H999-W1074 PolarHBondContact CD2-O 2.76Å; H999-W1074 AromaticContact NE2-CZ3 3.7Å; H999-R1075 PolarHBondContact N-O 3.44Å; H999-R1075 WeakPolarHBondContact O-CD 3.35Å; H999-R1075 PolarHBondContact O-NH1 2.84Å; H999-S1076 VanDerWaalsContact CB-O 3.28Å; H999-S1076 WeakPolarHBondContact CB-O 3.44Å |
| 1000 | L | 96.7 | Very high | 95.1 | Very high | 10 Ų | 10 | 30.1 Ų | 30.1 | 5% | 0.052 | 15% | 0.152 | C | C | . | . | trans | -76.7 | -40.3 | -179.7 | -178.2 | 65.8 | 0 | 0 | 0 | 111.5 | V6 F972 L974 F998 E1002 V1004 F1030 R1075 | V6-L1000 HydrophobicContact CG1-CD1 4.14Å; F972-L1000 PolarHBondContact O-N 3.01Å; L974-L1000 HydrophobicContact CD1-CB 4.38Å; L974-L1000 HydrophobicContact CD1-CD1 4.35Å; L974-L1000 HydrophobicContact CD1-CD2 4.21Å; L974-L1000 HydrophobicContact CD2-CD2 4.38Å; L974-L1000 HydrophobicContact CG-CB 4.14Å; L974-L1000 HydrophobicContact CG-CD2 4.24Å; F998-L1000 HydrophobicContact CD1-CB 4.38Å; F998-L1000 HydrophobicContact CE1-CB 4.42Å; F998-L1000 HydrophobicContact CE1-CD1 4.12Å; F998-L1000 PolarHBondContact O-N 2.81Å; L1000-E1002 VanDerWaalsContact C-N 3.3Å; L1000-E1002 HydrophobicContact CD2-CB 3.86Å; L1000-E1002 HydrophobicContact CG-CB 3.98Å; L1000-E1002 HydrophobicContact CG-CG 4.46Å; L1000-V1004 HydrophobicContact CD2-CG2 3.59Å; L1000-F1030 HydrophobicContact CD1-CE2 4.28Å; L1000-F1030 HydrophobicContact CD1-CZ 3.97Å; L1000-F1030 HydrophobicContact CD2-CD2 4.46Å; L1000-F1030 HydrophobicContact CD2-CE2 3.71Å; L1000-F1030 HydrophobicContact CD2-CZ 4.07Å; L1000-R1075 PolarHBondContact O-NH1 2.9Å | ||
| 1001 | G | 95.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 81.9 | 7.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N36 K60 F972 | N36-G1001 PolarHBondContact ND2-O 3.5Å; K60-G1001 WeakPolarHBondContact CD-O 3.13Å; K60-G1001 WeakPolarHBondContact CG-O 3.21Å; K60-G1001 PolarHBondContact NZ-O 2.8Å; F972-G1001 PolarHBondContact O-N 3.43Å |
| 1002 | E | 97.2 | Very high | 94.4 | Very high | 9 Ų | 9 | 22.3 Ų | 22.3 | 4% | 0.042 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -124 | 153.4 | 176.2 | -67.3 | -66.9 | 171.6 | 0 | 0 | 111.2 | P12 N36 F972 L1000 T1032 N1034 M1036 | P12-E1002 WeakPolarHBondContact CG-OE1 3.38Å; N36-E1002 PolarHBondContact ND2-OE1 2.73Å; N36-E1002 PolarHBondContact ND2-OE2 3.42Å; F972-E1002 WeakPolarHBondContact CA-O 3.35Å; F972-E1002 WeakPolarHBondContact CB-O 3.28Å; L1000-E1002 VanDerWaalsContact C-N 3.3Å; L1000-E1002 HydrophobicContact CD2-CB 3.86Å; L1000-E1002 HydrophobicContact CG-CB 3.98Å; L1000-E1002 HydrophobicContact CG-CG 4.46Å; E1002-T1032 HydrophobicContact CB-CG2 3.74Å; E1002-T1032 HydrophobicContact CG-CG2 4.31Å; E1002-N1034 PolarHBondContact OE2-ND2 2.82Å; E1002-M1036 HydrophobicContact CG-CB 4.37Å; E1002-M1036 HydrophobicContact CG-CG 4.33Å; E1002-M1036 HydrophobicContact CG-SD 4.16Å |
| 1003 | F | 97.9 | Very high | 93.8 | Very high | 57 Ų | 57 | 24 Ų | 24 | 25% | 0.25 | 13% | 0.127 | C | C | . | . | trans | -96.6 | 113.1 | 173.9 | -167.3 | -78.1 | 0 | 0 | 0 | 108.9 | N970 F972 N1005 T1032 V1033 | N970-F1003 HydrophobicContact CB-CE2 4.12Å; F972-F1003 HydrophobicContact CD1-CB 3.91Å; F972-F1003 HydrophobicContact CD1-CD2 4.29Å; F972-F1003 HydrophobicContact CE1-CB 3.92Å; F972-F1003 HydrophobicContact CE1-CD2 4.06Å; F1003-N1005 WeakPolarHBondContact CD1-OD1 3.48Å; F1003-N1005 WeakPolarHBondContact CE1-OD1 3.18Å; F1003-T1032 CarbonylContact O-C 3.57Å; F1003-T1032 WeakPolarHBondContact O-CA 3.19Å; F1003-T1032 VanDerWaalsContact O-CB 3.25Å; F1003-T1032 WeakPolarHBondContact O-CB 3.47Å; F1003-V1033 HydrophobicContact CB-CB 4.24Å; F1003-V1033 HydrophobicContact CB-CG2 3.85Å; F1003-V1033 HydrophobicContact CD1-CG2 3.63Å; F1003-V1033 HydrophobicContact CG-CG2 4.02Å; F1003-V1033 PolarHBondContact O-N 3.42Å | ||
| 1004 | V | 98.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 123.8 | -176.5 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | S955 A956 A968 L974 L1000 F1007 F1030 T1032 | S955-V1004 VanDerWaalsContact CB-O 3.29Å; S955-V1004 WeakPolarHBondContact CB-O 3.43Å; S955-V1004 PolarHBondContact OG-O 2.75Å; A956-V1004 HydrophobicContact CB-CG1 4.01Å; A968-V1004 HydrophobicContact CB-CB 3.86Å; A968-V1004 HydrophobicContact CB-CG1 4.47Å; A968-V1004 HydrophobicContact CB-CG2 4.14Å; L974-V1004 HydrophobicContact CD2-CG2 4.36Å; L1000-V1004 HydrophobicContact CD2-CG2 3.59Å; V1004-F1007 HydrophobicContact CB-CZ 4.45Å; V1004-F1007 HydrophobicContact CG1-CD1 4.42Å; V1004-F1007 HydrophobicContact CG1-CD2 4.37Å; V1004-F1007 HydrophobicContact CG1-CE1 4.01Å; V1004-F1007 HydrophobicContact CG1-CE2 3.98Å; V1004-F1007 HydrophobicContact CG1-CZ 3.76Å; V1004-F1007 HydrophobicContact CG2-CZ 4.5Å; V1004-F1030 HydrophobicContact CG1-CB 3.86Å; V1004-F1030 HydrophobicContact CG1-CD2 4.42Å; V1004-F1030 HydrophobicContact CG1-CG 4.48Å; V1004-F1030 HydrophobicContact CG2-CD2 3.98Å; V1004-F1030 HydrophobicContact CG2-CE2 4.43Å; V1004-T1032 HydrophobicContact CG2-CG2 4.32Å |
| 1005 | N | 97.9 | Very high | 90.9 | Very high | 42 Ų | 42 | 26 Ų | 26 | 23% | 0.225 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -31.8 | 176.5 | -76.6 | -29.1 | 0 | 0 | 0 | 112.6 | I359 F1003 G1031 | I359-N1005 VanDerWaalsContact O-CB 3.3Å; I359-N1005 WeakPolarHBondContact O-CB 3.32Å; I359-N1005 PolarHBondContact O-ND2 3.1Å; F1003-N1005 WeakPolarHBondContact CD1-OD1 3.48Å; F1003-N1005 WeakPolarHBondContact CE1-OD1 3.18Å; N1005-G1031 PolarHBondContact N-O 3.41Å |
| 1006 | V | 97.8 | Very high | 89.2 | Confident | 13 Ų | 13 | 28.2 Ų | 28.2 | 8% | 0.079 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 137.1 | -171 | 57.9 | 0 | 0 | 0 | 0 | 111.3 | I359 M362 F1030 G1031 | I359-V1006 HydrophobicContact CG2-CG1 4.2Å; M362-V1006 HydrophobicContact CB-CG1 4.32Å; M362-V1006 HydrophobicContact CE-CG1 4.12Å; M362-V1006 HydrophobicContact CG-CG1 3.62Å; M362-V1006 HydrophobicContact CG-CG2 4.06Å; M362-V1006 HydrophobicContact SD-CG1 3.74Å; V1006-F1030 WeakPolarHBondContact O-CA 3.33Å; V1006-F1030 WeakPolarHBondContact O-CB 3.47Å; V1006-G1031 PolarHBondContact O-N 2.83Å |
| 1007 | F | 98.1 | Very high | 87.1 | Confident | 3 Ų | 3 | 36 Ų | 36 | 1% | 0.013 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 141 | 164.9 | -73.1 | -66.1 | 0 | 0 | 0 | 109.5 | K915 A956 E958 L966 A968 L974 V1004 V1028 L1029 F1030 | K915-F1007 PolarHBondContact NZ-O 3.24Å; A956-F1007 HydrophobicContact CB-CD2 3.46Å; A956-F1007 VanDerWaalsContact CB-CD2 3.46Å; A956-F1007 HydrophobicContact CB-CE2 3.61Å; A956-F1007 HydrophobicContact CB-CG 4.47Å; E958-F1007 HydrophobicContact CB-CB 3.66Å; E958-F1007 HydrophobicContact CB-CD2 4.06Å; E958-F1007 HydrophobicContact CB-CG 3.89Å; E958-F1007 HydrophobicContact CG-CB 4Å; L966-F1007 HydrophobicContact CD2-CD1 4.08Å; L966-F1007 HydrophobicContact CD2-CE1 3.58Å; L966-F1007 HydrophobicContact CD2-CE2 4.27Å; L966-F1007 HydrophobicContact CD2-CZ 3.7Å; L966-F1007 HydrophobicContact CG-CE1 4.47Å; L966-F1007 HydrophobicContact CG-CE2 4.4Å; L966-F1007 HydrophobicContact CG-CZ 4.1Å; A968-F1007 HydrophobicContact CB-CE2 3.81Å; A968-F1007 HydrophobicContact CB-CZ 3.96Å; L974-F1007 HydrophobicContact CD2-CZ 3.93Å; V1004-F1007 HydrophobicContact CB-CZ 4.45Å; V1004-F1007 HydrophobicContact CG1-CD1 4.42Å; V1004-F1007 HydrophobicContact CG1-CD2 4.37Å; V1004-F1007 HydrophobicContact CG1-CE1 4.01Å; V1004-F1007 HydrophobicContact CG1-CE2 3.98Å; V1004-F1007 HydrophobicContact CG1-CZ 3.76Å; V1004-F1007 HydrophobicContact CG2-CZ 4.5Å; F1007-V1028 HydrophobicContact CB-CG1 4.17Å; F1007-V1028 HydrophobicContact CD1-CG1 3.78Å; F1007-V1028 HydrophobicContact CG-CG1 4.34Å; F1007-L1029 WeakPolarHBondContact CA-O 3.36Å; F1007-F1030 HydrophobicContact CD1-CB 3.42Å; F1007-F1030 VanDerWaalsContact CD1-CB 3.42Å; F1007-F1030 HydrophobicContact CD1-CG 4.35Å; F1007-F1030 HydrophobicContact CE1-CB 3.41Å; F1007-F1030 VanDerWaalsContact CE1-CB 3.41Å; F1007-F1030 HydrophobicContact CE1-CD1 4.01Å; F1007-F1030 AromaticContact CE1-CG 3.92Å; F1007-F1030 HydrophobicContact CE1-CG 3.92Å; F1007-F1030 HydrophobicContact CG-CB 4.44Å; F1007-F1030 HydrophobicContact CZ-CB 4.46Å |
| 1008 | C | 94.6 | Very high | 84.5 | Confident | 18 Ų | 18 | 39.4 Ų | 39.4 | 12% | 0.122 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 145.9 | 168 | 65.7 | 0 | 0 | 0 | 0 | 112 | M362 L1029 | M362-C1008 VanDerWaalsContact CE-SG 3.52Å; C1008-L1029 PolarHBondContact N-O 2.91Å; C1008-L1029 PolarHBondContact O-N 2.98Å |
| 1009 | H | 93.8 | Very high | 82.1 | Confident | 99 Ų | 99 | 45.2 Ų | 45.2 | 46% | 0.458 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 139.7 | 170.2 | -74.7 | -92.2 | 0 | 0 | 0 | 110.9 | E958 I959 | E958-H1009 IonicContact OE1-CD2 3.27Å; E958-H1009 IonicContact OE1-NE2 2.71Å; E958-H1009 IonicContact OE2-CD2 3.29Å; I959-H1009 PolarHBondContact O-CE1 3.25Å; I959-H1009 VanDerWaalsContact O-CE1 3.22Å; I959-H1009 PolarHBondContact O-NE2 3.42Å |
| 1010 | G | 87.6 | Confident | 79.4 | Confident | 19 Ų | 19 | 51.1 Ų | 51.1 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | trans | 145.2 | 166.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1027 L1029 | G1010-S1027 PolarHBondContact N-O 2.59Å; G1010-S1027 PolarHBondContact O-OG 2.87Å; G1010-L1029 WeakPolarHBondContact O-CG 3.3Å | ||
| 1011 | S | 85.9 | Confident | 77.2 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | trans | -135.7 | 147.8 | 176 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | G373 V1013 | G373-S1011 WeakPolarHBondContact CA-O 3.38Å; S1011-V1013 VanDerWaalsContact C-N 3.3Å; S1011-V1013 PolarHBondContact OG-N 2.92Å | ||
| 1012 | L | 83.5 | Confident | 75.4 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -82.8 | -11.5 | 172.7 | -65.4 | 177.1 | 0 | 0 | 0 | 112.7 | L375 I390 N392 L710 L1029 | L375-L1012 HydrophobicContact CB-CD2 3.8Å; I390-L1012 HydrophobicContact CG2-CD1 4.42Å; N392-L1012 HydrophobicContact CB-CB 4.35Å; N392-L1012 WeakPolarHBondContact CB-O 3.36Å; L710-L1012 HydrophobicContact CD2-CD1 4.3Å; L1012-L1029 HydrophobicContact CG-CD1 4.14Å |
| 1013 | V | 80 | Confident | 74.1 | Confident | 37 Ų | 37 | 61 Ų | 61 | 22% | 0.224 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -92.1 | 144.8 | -178.6 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | S1011 Q1015 R1139 | S1011-V1013 VanDerWaalsContact C-N 3.3Å; S1011-V1013 PolarHBondContact OG-N 2.92Å; V1013-Q1015 PolarHBondContact O-N 3.42Å; V1013-Q1015 VanDerWaalsContact O-N 3.11Å; V1013-R1139 WeakPolarHBondContact CG1-O 3.33Å; V1013-R1139 WeakPolarHBondContact CG2-O 2.87Å |
| 1014 | L | 64.9 | Low | 73.2 | Confident | 78 Ų | 78 | 58.9 Ų | 58.9 | 41% | 0.408 | 35% | 0.353 | S | S | . | . | trans | -61.3 | 113 | 177.4 | -167.3 | 125.8 | 0 | 0 | 0 | 110.4 | G371 Q372 N1016 | G371-L1014 WeakPolarHBondContact O-CA 3.39Å; Q372-L1014 HydrophobicContact CB-CD1 4.29Å; L1014-N1016 VanDerWaalsContact CD2-OD1 3.23Å; L1014-N1016 WeakPolarHBondContact CD2-OD1 3.47Å; L1014-N1016 PolarHBondContact O-N 3.15Å | ||
| 1015 | Q | 60.1 | Low | 72.4 | Confident | 96 Ų | 96 | 66.3 Ų | 66.3 | 45% | 0.449 | 39% | 0.387 | S | S | . | . | trans | -86.6 | 98.1 | -179.1 | -70.4 | -172.9 | -6 | 0 | 0 | 110.6 | G371 V1013 L1017 | G371-Q1015 PolarHBondContact O-N 2.81Å; G371-Q1015 VanDerWaalsContact O-N 3.11Å; V1013-Q1015 PolarHBondContact O-N 3.42Å; V1013-Q1015 VanDerWaalsContact O-N 3.11Å; Q1015-L1017 VanDerWaalsContact C-N 3.28Å; Q1015-L1017 PolarHBondContact O-N 3.39Å | ||
| 1016 | N | 57.8 | Low | 71.8 | Confident | 80 Ų | 80 | 66.8 Ų | 66.8 | 43% | 0.428 | 40% | 0.403 | S | S | . | . | trans | -75.6 | 82.9 | 164.2 | -71.5 | -22.4 | 0 | 0 | 0 | 109.2 | L1014 G1018 E1019 | L1014-N1016 VanDerWaalsContact CD2-OD1 3.23Å; L1014-N1016 WeakPolarHBondContact CD2-OD1 3.47Å; L1014-N1016 PolarHBondContact O-N 3.15Å; N1016-G1018 PolarHBondContact O-N 3.38Å; N1016-E1019 PolarHBondContact O-N 3.5Å | ||
| 1017 | L | 50.2 | Low | 71.5 | Confident | 164 Ų | 164 | 67.1 Ų | 67.1 | 86% | 0.859 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 1.7 | 179.9 | -81.7 | 142.9 | 0 | 0 | 0 | 115.6 | Q1015 | Q1015-L1017 VanDerWaalsContact C-N 3.28Å; Q1015-L1017 PolarHBondContact O-N 3.39Å |
| 1018 | G | 41.9 | Very low | 71.4 | Confident | 76 Ų | 76 | 67.1 Ų | 67.1 | 78% | 0.784 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -13.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116 | N1016 S1020 | N1016-G1018 PolarHBondContact O-N 3.38Å; G1018-S1020 PolarHBondContact O-N 3.21Å |
| 1019 | E | 45.8 | Very low | 71.5 | Confident | 127 Ų | 127 | 66.5 Ų | 66.5 | 59% | 0.593 | 40% | 0.401 | S | S | * | . | trans | -93.5 | 93.1 | 178.4 | -75 | -177.2 | 156.7 | 0 | 0 | 110.3 | N1016 S1021 | N1016-E1019 PolarHBondContact O-N 3.5Å; E1019-S1021 PolarHBondContact O-N 3.11Å | ||
| 1020 | S | 41.3 | Very low | 71.7 | Confident | 129 Ų | 129 | 61.8 Ų | 61.8 | 90% | 0.902 | 38% | 0.379 | S | S | * | . | trans | -73.2 | 40 | -172.7 | 64.8 | 0 | 0 | 0 | 0 | 115.6 | G1018 | G1018-S1020 PolarHBondContact O-N 3.21Š| ||
| 1021 | S | 50.3 | Low | 72.2 | Confident | 98 Ų | 98 | 60.9 Ų | 60.9 | 69% | 0.685 | 37% | 0.37 | S | S | * | . | trans | -130.6 | 21 | -174.8 | 71 | 0 | 0 | 0 | 0 | 115.7 | E1019 | E1019-S1021 PolarHBondContact O-N 3.11Š| ||
| 1022 | T | 59.1 | Low | 72.8 | Confident | 104 Ų | 104 | 60.2 Ų | 60.2 | 64% | 0.638 | 37% | 0.366 | S | S | * | . | trans | -70.1 | 129.4 | 170.4 | 52.7 | 0 | 0 | 0 | 0 | 109.9 | T1024 | T1022-T1024 PolarHBondContact O-N 2.84Å; T1022-T1024 PolarHBondContact OG1-O 3.24Å | ||
| 1023 | P | 68.2 | Low | 73.5 | Confident | 24 Ų | 24 | 61.6 Ų | 61.6 | 16% | 0.156 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -64.6 | -19.2 | -179.1 | -3.3 | 7.4 | 0 | 0 | 0 | 113.7 | W1047 E1136 L1137 | P1023-W1047 HydrophobicContact CB-CH2 4.38Å; P1023-W1047 HydrophobicContact CB-CZ2 3.85Å; P1023-E1136 HydrophobicContact CG-CB 4.32Å; P1023-L1137 HydrophobicContact CB-CD2 4.43Å; P1023-L1137 HydrophobicContact CG-CD2 4.28Å |
| 1024 | T | 79.6 | Confident | 74.3 | Confident | 14 Ų | 14 | 60.2 Ų | 60.2 | 9% | 0.086 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -119 | 157.3 | -174.5 | 74.5 | 0 | 0 | 0 | 0 | 111.4 | T1022 T1041 S1042 L1043 L1137 | T1022-T1024 PolarHBondContact O-N 2.84Å; T1022-T1024 PolarHBondContact OG1-O 3.24Å; T1024-T1041 WeakPolarHBondContact CB-OG1 3.46Å; T1024-T1041 HydrophobicContact CG2-CG2 3.8Å; T1024-T1041 PolarHBondContact OG1-OG1 3.15Å; T1024-S1042 WeakPolarHBondContact CA-O 3.45Å; T1024-L1043 HydrophobicContact CG2-CD2 3.7Å; T1024-L1137 HydrophobicContact CG2-CD2 3.75Å |
| 1025 | Q | 82.8 | Confident | 75.8 | Confident | 157 Ų | 157 | 56.5 Ų | 56.5 | 73% | 0.734 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.8 | -178.6 | -171.3 | 175.7 | 0.5 | 0 | 0 | 110.9 | T1041 S1042 | Q1025-T1041 PolarHBondContact O-OG1 3.11Å; Q1025-S1042 PolarHBondContact N-O 3.05Å; Q1025-S1042 WeakPolarHBondContact O-CA 3.29Å; Q1025-S1042 VanDerWaalsContact O-CB 3.27Å; Q1025-S1042 WeakPolarHBondContact O-CB 3.01Å; Q1025-S1042 PolarHBondContact O-N 2.86Å |
| 1026 | G | 84.1 | Confident | 77.6 | Confident | 53 Ų | 53 | 52.1 Ų | 52.1 | 55% | 0.546 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.7 | 157.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1041 | G1026-T1041 WeakPolarHBondContact O-CB 3.34Å; G1026-T1041 PolarHBondContact O-OG1 2.76Å |
| 1027 | S | 91.4 | Very high | 79.5 | Confident | 20 Ų | 20 | 48.3 Ų | 48.3 | 14% | 0.14 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 108.9 | -175.6 | -168.2 | 0 | 0 | 0 | 0 | 109.3 | G1010 L1039 | G1010-S1027 PolarHBondContact N-O 2.59Å; G1010-S1027 PolarHBondContact O-OG 2.87Å; S1027-L1039 WeakPolarHBondContact OG-CD1 3.02Å |
| 1028 | V | 96.7 | Very high | 81.7 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 114.9 | 178 | 176.6 | 0 | 0 | 0 | 0 | 108.7 | E958 L960 F1007 L1039 V1040 | E958-V1028 HydrophobicContact CB-CG1 4.4Å; E958-V1028 HydrophobicContact CG-CG1 3.84Å; E958-V1028 HydrophobicContact CG-CG2 4.19Å; L960-V1028 HydrophobicContact CD2-CG2 3.95Å; F1007-V1028 HydrophobicContact CB-CG1 4.17Å; F1007-V1028 HydrophobicContact CD1-CG1 3.78Å; F1007-V1028 HydrophobicContact CG-CG1 4.34Å; V1028-L1039 CarbonylContact O-C 3.45Å; V1028-L1039 WeakPolarHBondContact O-CA 3.41Å; V1028-V1040 HydrophobicContact CB-CB 4.43Å; V1028-V1040 PolarHBondContact N-O 2.9Å; V1028-V1040 PolarHBondContact O-N 2.81Å |
| 1029 | L | 97.1 | Very high | 84.3 | Confident | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 149 | 173.3 | -67.2 | 169.3 | 0 | 0 | 0 | 110.1 | M362 V364 L375 F1007 C1008 G1010 L1012 I1037 G1038 L1039 | M362-L1029 VanDerWaalsContact CE-C 3.5Å; M362-L1029 HydrophobicContact CE-CB 3.91Å; M362-L1029 WeakPolarHBondContact CE-O 3.16Å; V364-L1029 HydrophobicContact CG2-CD1 4.01Å; L375-L1029 HydrophobicContact CD1-CB 4.43Å; L375-L1029 HydrophobicContact CD1-CD1 3.81Å; F1007-L1029 WeakPolarHBondContact CA-O 3.36Å; C1008-L1029 PolarHBondContact N-O 2.91Å; C1008-L1029 PolarHBondContact O-N 2.98Å; G1010-L1029 WeakPolarHBondContact O-CG 3.3Å; L1012-L1029 HydrophobicContact CG-CD1 4.14Å; L1029-I1037 HydrophobicContact CD2-CG2 4.46Å; L1029-G1038 CarbonylContact C-O 3.42Å; L1029-G1038 WeakPolarHBondContact CA-O 3.28Å; L1029-L1039 HydrophobicContact CD2-CB 4.09Å; L1029-L1039 HydrophobicContact CD2-CD1 3.81Å; L1029-L1039 HydrophobicContact CG-CD1 4.28Å |
| 1030 | F | 98.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 142.1 | 174.2 | 63.2 | -95.4 | 0 | 0 | 0 | 113.3 | V6 M362 L1000 V1004 V1006 F1007 T1032 M1036 I1037 G1038 V1040 | V6-F1030 HydrophobicContact CG1-CE1 4.17Å; V6-F1030 HydrophobicContact CG1-CZ 4.12Å; M362-F1030 VanDerWaalsContact CE-C 3.48Å; M362-F1030 VanDerWaalsContact CE-CA 3.46Å; L1000-F1030 HydrophobicContact CD1-CE2 4.28Å; L1000-F1030 HydrophobicContact CD1-CZ 3.97Å; L1000-F1030 HydrophobicContact CD2-CD2 4.46Å; L1000-F1030 HydrophobicContact CD2-CE2 3.71Å; L1000-F1030 HydrophobicContact CD2-CZ 4.07Å; V1004-F1030 HydrophobicContact CG1-CB 3.86Å; V1004-F1030 HydrophobicContact CG1-CD2 4.42Å; V1004-F1030 HydrophobicContact CG1-CG 4.48Å; V1004-F1030 HydrophobicContact CG2-CD2 3.98Å; V1004-F1030 HydrophobicContact CG2-CE2 4.43Å; V1006-F1030 WeakPolarHBondContact O-CA 3.33Å; V1006-F1030 WeakPolarHBondContact O-CB 3.47Å; F1007-F1030 HydrophobicContact CD1-CB 3.42Å; F1007-F1030 VanDerWaalsContact CD1-CB 3.42Å; F1007-F1030 HydrophobicContact CD1-CG 4.35Å; F1007-F1030 HydrophobicContact CE1-CB 3.41Å; F1007-F1030 VanDerWaalsContact CE1-CB 3.41Å; F1007-F1030 HydrophobicContact CE1-CD1 4.01Å; F1007-F1030 AromaticContact CE1-CG 3.92Å; F1007-F1030 HydrophobicContact CE1-CG 3.92Å; F1007-F1030 HydrophobicContact CG-CB 4.44Å; F1007-F1030 HydrophobicContact CZ-CB 4.46Å; F1030-T1032 HydrophobicContact CD2-CG2 3.9Å; F1030-T1032 HydrophobicContact CE2-CG2 4.11Å; F1030-M1036 HydrophobicContact CD2-SD 4.3Å; F1030-M1036 HydrophobicContact CE2-CE 3.69Å; F1030-M1036 HydrophobicContact CE2-SD 3.53Å; F1030-M1036 VanDerWaalsContact CE2-SD 3.53Å; F1030-M1036 HydrophobicContact CZ-CE 3.81Å; F1030-M1036 HydrophobicContact CZ-SD 4.27Å; F1030-I1037 WeakPolarHBondContact O-CA 3.43Å; F1030-G1038 VanDerWaalsContact CD1-C 3.45Å; F1030-G1038 WeakPolarHBondContact CD1-O 3.45Å; F1030-G1038 VanDerWaalsContact CZ-CA 3.42Å; F1030-G1038 PolarHBondContact N-O 3.4Å; F1030-G1038 PolarHBondContact O-N 3.16Å; F1030-V1040 HydrophobicContact CD1-CG2 3.81Å; F1030-V1040 HydrophobicContact CE1-CG2 3.68Å |
| 1031 | G | 97.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 142.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | N1005 V1006 | N1005-G1031 PolarHBondContact N-O 3.41Å; V1006-G1031 PolarHBondContact O-N 2.83Å |
| 1032 | T | 98.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 165 | -171.9 | 68.7 | 0 | 0 | 0 | 0 | 113.5 | I359 E1002 F1003 V1004 F1030 N1034 G1035 M1036 | I359-T1032 PolarHBondContact N-O 2.84Å; E1002-T1032 HydrophobicContact CB-CG2 3.74Å; E1002-T1032 HydrophobicContact CG-CG2 4.31Å; F1003-T1032 CarbonylContact O-C 3.57Å; F1003-T1032 WeakPolarHBondContact O-CA 3.19Å; F1003-T1032 VanDerWaalsContact O-CB 3.25Å; F1003-T1032 WeakPolarHBondContact O-CB 3.47Å; V1004-T1032 HydrophobicContact CG2-CG2 4.32Å; F1030-T1032 HydrophobicContact CD2-CG2 3.9Å; F1030-T1032 HydrophobicContact CE2-CG2 4.11Å; T1032-N1034 VanDerWaalsContact C-N 3.28Å; T1032-N1034 PolarHBondContact O-N 3.09Å; T1032-G1035 PolarHBondContact O-N 2.98Å; T1032-G1035 VanDerWaalsContact O-N 3.16Å; T1032-M1036 WeakPolarHBondContact CB-O 3.47Å; T1032-M1036 HydrophobicContact CG2-CB 4.42Å; T1032-M1036 WeakPolarHBondContact CG2-O 3.22Å; T1032-M1036 HydrophobicContact CG2-SD 3.76Å; T1032-M1036 PolarHBondContact N-O 3.42Å; T1032-M1036 VanDerWaalsContact N-O 3.17Å; T1032-M1036 WeakPolarHBondContact OG1-CA 3.44Å; T1032-M1036 VanDerWaalsContact OG1-CB 3.3Å; T1032-M1036 WeakPolarHBondContact OG1-CB 3.29Å; T1032-M1036 PolarHBondContact OG1-N 3.14Å; T1032-M1036 PolarHBondContact OG1-O 2.92Å |
| 1033 | V | 97.7 | Very high | 92.9 | Very high | 30 Ų | 30 | 17.6 Ų | 17.6 | 18% | 0.182 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -31.2 | 176.8 | 173.2 | 0 | 0 | 0 | 0 | 113.1 | P358 F1003 G1035 | P358-V1033 WeakPolarHBondContact CA-O 3.15Å; P358-V1033 HydrophobicContact CB-CG1 4.33Å; F1003-V1033 HydrophobicContact CB-CB 4.24Å; F1003-V1033 HydrophobicContact CB-CG2 3.85Å; F1003-V1033 HydrophobicContact CD1-CG2 3.63Å; F1003-V1033 HydrophobicContact CG-CG2 4.02Å; F1003-V1033 PolarHBondContact O-N 3.42Å; V1033-G1035 VanDerWaalsContact C-N 3.27Å; V1033-G1035 PolarHBondContact O-N 3.44Å |
| 1034 | N | 97.6 | Very high | 93.9 | Very high | 8 Ų | 8 | 19.4 Ų | 19.4 | 4% | 0.043 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 8.8 | 179.6 | -64.1 | -54.7 | 0 | 0 | 0 | 113.2 | P12 T13 A14 E1002 T1032 M1036 | P12-N1034 HydrophobicContact CB-CB 4.14Å; T13-N1034 PolarHBondContact N-O 3.27Å; A14-N1034 HydrophobicContact CB-CB 4.22Å; A14-N1034 PolarHBondContact N-O 3.48Å; A14-N1034 VanDerWaalsContact N-O 3.07Å; E1002-N1034 PolarHBondContact OE2-ND2 2.82Å; T1032-N1034 VanDerWaalsContact C-N 3.28Å; T1032-N1034 PolarHBondContact O-N 3.09Å; N1034-M1036 PolarHBondContact O-N 2.75Å |
| 1035 | G | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 75.4 | 12 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | T1032 V1033 | T1032-G1035 PolarHBondContact O-N 2.98Å; T1032-G1035 VanDerWaalsContact O-N 3.16Å; V1033-G1035 VanDerWaalsContact C-N 3.27Å; V1033-G1035 PolarHBondContact O-N 3.44Å |
| 1036 | M | 97.7 | Very high | 94.6 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | trans | -74.7 | 135 | 170.2 | 174.3 | -86.3 | -177.7 | 0 | 0 | 109.3 | T8 Q10 P12 E1002 F1030 T1032 N1034 | T8-M1036 HydrophobicContact CG2-CE 3.83Å; T8-M1036 HydrophobicContact CG2-CG 3.99Å; T8-M1036 VanDerWaalsContact OG1-CE 3.23Å; T8-M1036 WeakPolarHBondContact OG1-CE 3.09Å; Q10-M1036 WeakPolarHBondContact O-CA 3.49Å; Q10-M1036 WeakPolarHBondContact O-CG 3.49Å; P12-M1036 HydrophobicContact CB-CB 4.34Å; P12-M1036 HydrophobicContact CG-CB 3.99Å; P12-M1036 HydrophobicContact CG-CG 4.4Å; E1002-M1036 HydrophobicContact CG-CB 4.37Å; E1002-M1036 HydrophobicContact CG-CG 4.33Å; E1002-M1036 HydrophobicContact CG-SD 4.16Å; F1030-M1036 HydrophobicContact CD2-SD 4.3Å; F1030-M1036 HydrophobicContact CE2-CE 3.69Å; F1030-M1036 HydrophobicContact CE2-SD 3.53Å; F1030-M1036 VanDerWaalsContact CE2-SD 3.53Å; F1030-M1036 HydrophobicContact CZ-CE 3.81Å; F1030-M1036 HydrophobicContact CZ-SD 4.27Å; T1032-M1036 WeakPolarHBondContact CB-O 3.47Å; T1032-M1036 HydrophobicContact CG2-CB 4.42Å; T1032-M1036 WeakPolarHBondContact CG2-O 3.22Å; T1032-M1036 HydrophobicContact CG2-SD 3.76Å; T1032-M1036 PolarHBondContact N-O 3.42Å; T1032-M1036 VanDerWaalsContact N-O 3.17Å; T1032-M1036 WeakPolarHBondContact OG1-CA 3.44Å; T1032-M1036 VanDerWaalsContact OG1-CB 3.3Å; T1032-M1036 WeakPolarHBondContact OG1-CB 3.29Å; T1032-M1036 PolarHBondContact OG1-N 3.14Å; T1032-M1036 PolarHBondContact OG1-O 2.92Å; N1034-M1036 PolarHBondContact O-N 2.75Å | ||
| 1037 | I | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 127.1 | 170.8 | -57.2 | 173.8 | 0 | 0 | 0 | 107 | A9 Q10 L356 I359 I390 L1029 F1030 | A9-I1037 WeakPolarHBondContact CA-O 3.33Å; A9-I1037 HydrophobicContact CB-CG2 4.39Å; A9-I1037 PolarHBondContact N-O 3.22Å; Q10-I1037 HydrophobicContact CB-CB 3.96Å; Q10-I1037 HydrophobicContact CB-CD1 4.34Å; Q10-I1037 HydrophobicContact CB-CG1 4.24Å; Q10-I1037 PolarHBondContact N-O 2.96Å; Q10-I1037 PolarHBondContact O-N 3.01Å; L356-I1037 HydrophobicContact CD1-CD1 4.01Å; L356-I1037 HydrophobicContact CD1-CG1 4.48Å; I359-I1037 HydrophobicContact CD1-CD1 4.21Å; I359-I1037 HydrophobicContact CD1-CG1 3.61Å; I390-I1037 HydrophobicContact CD1-CD1 4.14Å; I390-I1037 HydrophobicContact CG1-CD1 4.27Å; L1029-I1037 HydrophobicContact CD2-CG2 4.46Å; F1030-I1037 WeakPolarHBondContact O-CA 3.43Å |
| 1038 | G | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 169.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V7 L1029 F1030 | V7-G1038 CarbonylContact O-C 3.56Å; V7-G1038 VanDerWaalsContact O-CA 3.29Å; V7-G1038 WeakPolarHBondContact O-CA 3.33Å; L1029-G1038 CarbonylContact C-O 3.42Å; L1029-G1038 WeakPolarHBondContact CA-O 3.28Å; F1030-G1038 VanDerWaalsContact CD1-C 3.45Å; F1030-G1038 WeakPolarHBondContact CD1-O 3.45Å; F1030-G1038 VanDerWaalsContact CZ-CA 3.42Å; F1030-G1038 PolarHBondContact N-O 3.4Å; F1030-G1038 PolarHBondContact O-N 3.16Å |
| 1039 | L | 96.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 135.5 | 178.8 | 176 | 71.3 | 0 | 0 | 0 | 109.7 | V6 V7 S1027 V1028 L1029 I1140 H1141 | V6-L1039 WeakPolarHBondContact CA-O 3.49Å; V7-L1039 HydrophobicContact CG1-CB 4.01Å; V7-L1039 HydrophobicContact CG1-CD2 4.31Å; V7-L1039 PolarHBondContact N-O 3.45Å; V7-L1039 PolarHBondContact O-N 3.06Å; S1027-L1039 WeakPolarHBondContact OG-CD1 3.02Å; V1028-L1039 CarbonylContact O-C 3.45Å; V1028-L1039 WeakPolarHBondContact O-CA 3.41Å; L1029-L1039 HydrophobicContact CD2-CB 4.09Å; L1029-L1039 HydrophobicContact CD2-CD1 3.81Å; L1029-L1039 HydrophobicContact CG-CD1 4.28Å; L1039-I1140 HydrophobicContact CD2-CB 4.38Å; L1039-I1140 HydrophobicContact CD2-CD1 3.98Å; L1039-I1140 HydrophobicContact CD2-CG1 3.66Å; L1039-H1141 HydrophobicContact CD2-CB 3.87Å |
| 1040 | V | 96.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 132.3 | 167.8 | -169.8 | 0 | 0 | 0 | 0 | 109.3 | N4 Y5 V6 L966 V1028 F1030 | N4-V1040 HydrophobicContact CB-CG1 4.27Å; Y5-V1040 WeakPolarHBondContact O-CA 3.31Å; V6-V1040 HydrophobicContact CG2-CG1 4.19Å; V6-V1040 HydrophobicContact CG2-CG2 4.07Å; L966-V1040 HydrophobicContact CD2-CB 4.42Å; L966-V1040 HydrophobicContact CD2-CG1 4.4Å; L966-V1040 HydrophobicContact CD2-CG2 4.06Å; V1028-V1040 HydrophobicContact CB-CB 4.43Å; V1028-V1040 PolarHBondContact N-O 2.9Å; V1028-V1040 PolarHBondContact O-N 2.81Å; F1030-V1040 HydrophobicContact CD1-CG2 3.81Å; F1030-V1040 HydrophobicContact CE1-CG2 3.68Å |
| 1041 | T | 94.4 | Very high | 94.1 | Very high | 4 Ų | 4 | 25 Ų | 25 | 3% | 0.025 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 152.1 | 175.9 | -171.3 | 0 | 0 | 0 | 0 | 110.8 | N4 Y5 T1024 Q1025 G1026 I1140 | N4-T1041 CarbonylContact C-O 3.59Å; N4-T1041 WeakPolarHBondContact CA-O 3.42Å; Y5-T1041 HydrophobicContact CD1-CG2 3.91Å; Y5-T1041 HydrophobicContact CG-CG2 4.27Å; Y5-T1041 PolarHBondContact N-O 3.43Å; Y5-T1041 PolarHBondContact O-N 2.7Å; T1024-T1041 WeakPolarHBondContact CB-OG1 3.46Å; T1024-T1041 HydrophobicContact CG2-CG2 3.8Å; T1024-T1041 PolarHBondContact OG1-OG1 3.15Å; Q1025-T1041 PolarHBondContact O-OG1 3.11Å; G1026-T1041 WeakPolarHBondContact O-CB 3.34Å; G1026-T1041 PolarHBondContact O-OG1 2.76Å; T1041-I1140 HydrophobicContact CG2-CD1 4.05Å |
| 1042 | S | 93.5 | Very high | 93.8 | Very high | 29 Ų | 29 | 27.5 Ų | 27.5 | 20% | 0.203 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 143.8 | -178.6 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | T1024 Q1025 | T1024-S1042 WeakPolarHBondContact CA-O 3.45Å; Q1025-S1042 PolarHBondContact N-O 3.05Å; Q1025-S1042 WeakPolarHBondContact O-CA 3.29Å; Q1025-S1042 VanDerWaalsContact O-CB 3.27Å; Q1025-S1042 WeakPolarHBondContact O-CB 3.01Å; Q1025-S1042 PolarHBondContact O-N 2.86Å |
| 1043 | L | 91.7 | Very high | 93.5 | Very high | 17 Ų | 17 | 30.3 Ų | 30.3 | 9% | 0.089 | 18% | 0.177 | C | C | . | . | trans | -112.2 | 153 | 178.2 | -66.2 | 178.2 | 0 | 0 | 0 | 111.5 | Y3 T1024 W1047 L1051 I1090 | Y3-L1043 PolarHBondContact O-N 2.89Å; T1024-L1043 HydrophobicContact CG2-CD2 3.7Å; L1043-W1047 HydrophobicContact CD2-CB 4.45Å; L1043-L1051 HydrophobicContact CD1-CD1 3.95Å; L1043-L1051 HydrophobicContact CD2-CD1 4.31Å; L1043-I1090 HydrophobicContact CD1-CB 4.3Å; L1043-I1090 HydrophobicContact CD1-CG1 3.86Å | ||
| 1044 | S | 90.3 | Very high | 93.3 | Very high | 61 Ų | 61 | 29 Ų | 29 | 43% | 0.427 | 17% | 0.169 | S | C | . | . | trans | -76.8 | 158.2 | 163.9 | 81 | 0 | 0 | 0 | 0 | 110.9 | G1046 W1047 Y1048 | S1044-G1046 VanDerWaalsContact C-N 3.28Å; S1044-G1046 PolarHBondContact O-N 3.06Å; S1044-W1047 PolarHBondContact O-N 2.91Å; S1044-W1047 VanDerWaalsContact OG-CD1 3.26Å; S1044-W1047 PolarHBondContact OG-N 2.83Å; S1044-Y1048 PolarHBondContact O-N 2.87Å | ||
| 1045 | E | 88.8 | Confident | 93 | Very high | 125 Ų | 125 | 29.3 Ų | 29.3 | 58% | 0.584 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -59 | -38.2 | 179.7 | -173.7 | 176.4 | 169.7 | 0 | 0 | 113.2 | Y3 Y1048 S1049 | Y3-E1045 HydrophobicContact CD2-CB 4.2Å; Y3-E1045 HydrophobicContact CE2-CB 3.61Å; Y3-E1045 HydrophobicContact CE2-CG 3.77Å; E1045-Y1048 PolarHBondContact O-N 3.46Å; E1045-S1049 WeakPolarHBondContact O-CB 3.47Å; E1045-S1049 PolarHBondContact O-N 2.54Å; E1045-S1049 PolarHBondContact O-OG 2.84Å |
| 1046 | G | 87.6 | Confident | 92.8 | Very high | 55 Ų | 55 | 32.5 Ų | 32.5 | 57% | 0.567 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -64.3 | -44.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1044 L1050 | S1044-G1046 VanDerWaalsContact C-N 3.28Å; S1044-G1046 PolarHBondContact O-N 3.06Å; G1046-L1050 PolarHBondContact O-N 3.37Å; G1046-L1050 VanDerWaalsContact O-N 3.17Å |
| 1047 | W | 89.3 | Confident | 92.5 | Very high | 66 Ų | 66 | 34.5 Ų | 34.5 | 25% | 0.25 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -44.2 | 175.7 | -84.9 | 116.3 | 0 | 0 | 0 | 112.3 | P1023 L1043 S1044 S1049 L1050 L1051 I1133 | P1023-W1047 HydrophobicContact CB-CH2 4.38Å; P1023-W1047 HydrophobicContact CB-CZ2 3.85Å; L1043-W1047 HydrophobicContact CD2-CB 4.45Å; S1044-W1047 PolarHBondContact O-N 2.91Å; S1044-W1047 VanDerWaalsContact OG-CD1 3.26Å; S1044-W1047 PolarHBondContact OG-N 2.83Å; W1047-S1049 VanDerWaalsContact C-N 3.35Å; W1047-S1049 PolarHBondContact O-N 3.38Å; W1047-L1050 HydrophobicContact CE3-CD2 4.12Å; W1047-L1050 HydrophobicContact CZ3-CD2 3.99Å; W1047-L1050 PolarHBondContact O-N 2.87Å; W1047-L1051 HydrophobicContact CE3-CG 4.45Å; W1047-L1051 WeakPolarHBondContact O-CB 3.39Å; W1047-L1051 WeakPolarHBondContact O-CG 2.65Å; W1047-L1051 PolarHBondContact O-N 3.28Å; W1047-I1133 HydrophobicContact CH2-CB 4.45Å; W1047-I1133 HydrophobicContact CH2-CD1 4.14Å; W1047-I1133 HydrophobicContact CH2-CG1 3.95Å; W1047-I1133 HydrophobicContact CH2-CG2 3.83Å; W1047-I1133 HydrophobicContact CZ3-CB 4.46Å; W1047-I1133 HydrophobicContact CZ3-CD1 4.16Å; W1047-I1133 HydrophobicContact CZ3-CG1 4.25Å; W1047-I1133 HydrophobicContact CZ3-CG2 3.46Å; W1047-I1133 VanDerWaalsContact CZ3-CG2 3.46Å |
| 1048 | Y | 92.1 | Very high | 92.2 | Very high | 27 Ų | 27 | 34.5 Ų | 34.5 | 11% | 0.106 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.1 | -46.9 | 176.8 | 176.4 | -98.4 | 0 | 0 | 0 | 111.8 | Y3 S1044 E1045 L1050 L1051 L1052 G1088 I1090 | Y3-Y1048 AromaticContact CD1-CD1 3.42Å; Y3-Y1048 HydrophobicContact CD1-CD1 3.42Å; Y3-Y1048 VanDerWaalsContact CD1-CD1 3.42Å; Y3-Y1048 AromaticContact CD1-CD2 3.66Å; Y3-Y1048 HydrophobicContact CD1-CD2 3.66Å; Y3-Y1048 AromaticContact CD1-CE1 3.74Å; Y3-Y1048 HydrophobicContact CD1-CE1 3.74Å; Y3-Y1048 AromaticContact CD1-CE2 3.96Å; Y3-Y1048 HydrophobicContact CD1-CE2 3.96Å; Y3-Y1048 AromaticContact CD1-CG 3.37Å; Y3-Y1048 HydrophobicContact CD1-CG 3.37Å; Y3-Y1048 AromaticContact CD1-CZ 3.99Å; Y3-Y1048 AromaticContact CE1-CD1 3.61Å; Y3-Y1048 HydrophobicContact CE1-CD1 3.61Å; Y3-Y1048 AromaticContact CE1-CE1 3.81Å; Y3-Y1048 HydrophobicContact CE1-CE1 3.81Å; Y3-Y1048 HydrophobicContact CE1-CG 4.05Å; Y3-Y1048 HydrophobicContact CG-CD1 4.16Å; Y3-Y1048 HydrophobicContact CG-CD2 4.05Å; Y3-Y1048 AromaticContact CG-CG 3.73Å; Y3-Y1048 HydrophobicContact CG-CG 3.73Å; S1044-Y1048 PolarHBondContact O-N 2.87Å; E1045-Y1048 PolarHBondContact O-N 3.46Å; Y1048-L1050 VanDerWaalsContact C-N 3.33Å; Y1048-L1050 PolarHBondContact O-N 3.18Å; Y1048-L1051 PolarHBondContact O-N 2.93Å; Y1048-L1052 HydrophobicContact CE1-CD2 3.88Å; Y1048-L1052 WeakPolarHBondContact O-CB 3.23Å; Y1048-L1052 PolarHBondContact O-N 3.01Å; Y1048-G1088 PolarHBondContact OH-N 3.36Å; Y1048-G1088 VanDerWaalsContact OH-N 3.14Å; Y1048-I1090 HydrophobicContact CD2-CD1 3.81Å; Y1048-I1090 HydrophobicContact CD2-CG1 3.7Å; Y1048-I1090 HydrophobicContact CE2-CD1 3.71Å; Y1048-I1090 HydrophobicContact CE2-CG1 3.94Å |
| 1049 | S | 91 | Very high | 91.9 | Very high | 66 Ų | 66 | 36.5 Ų | 36.5 | 46% | 0.462 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.6 | -40.7 | 179.8 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | E1045 W1047 D1053 | E1045-S1049 WeakPolarHBondContact O-CB 3.47Å; E1045-S1049 PolarHBondContact O-N 2.54Å; E1045-S1049 PolarHBondContact O-OG 2.84Å; W1047-S1049 VanDerWaalsContact C-N 3.35Å; W1047-S1049 PolarHBondContact O-N 3.38Å; S1049-D1053 PolarHBondContact O-N 2.88Å |
| 1050 | L | 90.9 | Very high | 91.6 | Very high | 28 Ų | 28 | 45 Ų | 45 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65 | -50.3 | 176.6 | 175.6 | 63.1 | 0 | 0 | 0 | 111.6 | G1046 W1047 Y1048 L1052 D1053 L1054 L1113 I1115 I1133 | G1046-L1050 PolarHBondContact O-N 3.37Å; G1046-L1050 VanDerWaalsContact O-N 3.17Å; W1047-L1050 HydrophobicContact CE3-CD2 4.12Å; W1047-L1050 HydrophobicContact CZ3-CD2 3.99Å; W1047-L1050 PolarHBondContact O-N 2.87Å; Y1048-L1050 VanDerWaalsContact C-N 3.33Å; Y1048-L1050 PolarHBondContact O-N 3.18Å; L1050-L1052 VanDerWaalsContact C-N 3.34Å; L1050-L1052 PolarHBondContact O-N 2.9Å; L1050-D1053 PolarHBondContact O-N 3.22Å; L1050-L1054 PolarHBondContact O-N 2.99Å; L1050-L1113 HydrophobicContact CD1-CD1 4.19Å; L1050-L1113 HydrophobicContact CD1-CD2 4.46Å; L1050-L1113 HydrophobicContact CD1-CG 4.42Å; L1050-I1115 HydrophobicContact CD1-CG1 3.7Å; L1050-I1115 HydrophobicContact CD2-CG1 4.31Å; L1050-I1133 HydrophobicContact CD2-CD1 4.2Å |
| 1051 | L | 92.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.3 | -32.8 | -177.3 | -67.6 | 176.3 | 0 | 0 | 0 | 112 | Y5 L1043 W1047 Y1048 L1054 Q1055 I1090 I1095 L1137 | Y5-L1051 HydrophobicContact CD2-CD1 4.35Å; L1043-L1051 HydrophobicContact CD1-CD1 3.95Å; L1043-L1051 HydrophobicContact CD2-CD1 4.31Å; W1047-L1051 HydrophobicContact CE3-CG 4.45Å; W1047-L1051 WeakPolarHBondContact O-CB 3.39Å; W1047-L1051 WeakPolarHBondContact O-CG 2.65Å; W1047-L1051 PolarHBondContact O-N 3.28Å; Y1048-L1051 PolarHBondContact O-N 2.93Å; L1051-L1054 HydrophobicContact CD2-CD2 4.36Å; L1051-L1054 PolarHBondContact O-N 2.94Å; L1051-Q1055 WeakPolarHBondContact O-CB 3.41Å; L1051-Q1055 PolarHBondContact O-N 2.9Å; L1051-I1090 HydrophobicContact CB-CD1 4.33Å; L1051-I1090 HydrophobicContact CB-CG1 4.2Å; L1051-I1090 HydrophobicContact CB-CG2 4.01Å; L1051-I1090 HydrophobicContact CD1-CG2 4.46Å; L1051-I1095 HydrophobicContact CD2-CG2 4.25Å; L1051-L1137 HydrophobicContact CD1-CD1 4.19Å; L1051-L1137 HydrophobicContact CD2-CD1 4.05Å |
| 1052 | L | 92.9 | Very high | 90.9 | Very high | 54 Ų | 54 | 47.5 Ų | 47.5 | 28% | 0.283 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 174 | -175 | 62.2 | 0 | 0 | 0 | 111.7 | Y1048 L1050 L1054 Q1055 N1056 I1090 | Y1048-L1052 HydrophobicContact CE1-CD2 3.88Å; Y1048-L1052 WeakPolarHBondContact O-CB 3.23Å; Y1048-L1052 PolarHBondContact O-N 3.01Å; L1050-L1052 VanDerWaalsContact C-N 3.34Å; L1050-L1052 PolarHBondContact O-N 2.9Å; L1052-L1054 VanDerWaalsContact C-N 3.34Å; L1052-Q1055 PolarHBondContact O-N 2.98Å; L1052-N1056 VanDerWaalsContact O-CG 3.3Å; L1052-N1056 PolarHBondContact O-N 2.93Å; L1052-N1056 PolarHBondContact O-ND2 3.49Å; L1052-N1056 VanDerWaalsContact O-ND2 3.11Å; L1052-I1090 HydrophobicContact CB-CD1 3.89Å; L1052-I1090 HydrophobicContact CD1-CD1 4.13Å |
| 1053 | D | 92.4 | Very high | 90.3 | Very high | 58 Ų | 58 | 54.8 Ų | 54.8 | 31% | 0.31 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 174 | -168.6 | 34.1 | 0 | 0 | 0 | 110.9 | S1049 L1050 Q1055 N1056 R1057 L1113 | S1049-D1053 PolarHBondContact O-N 2.88Å; L1050-D1053 PolarHBondContact O-N 3.22Å; D1053-Q1055 PolarHBondContact O-N 2.68Å; D1053-N1056 PolarHBondContact O-N 2.86Å; D1053-R1057 VanDerWaalsContact CG-NE 3.27Å; D1053-R1057 WeakPolarHBondContact O-CD 3.44Å; D1053-R1057 VanDerWaalsContact O-CG 3.27Å; D1053-R1057 WeakPolarHBondContact O-CG 3.28Å; D1053-R1057 PolarHBondContact O-N 3.34Å; D1053-R1057 VanDerWaalsContact O-N 3.09Å; D1053-R1057 IonicContact OD1-CZ 2.6Å; D1053-R1057 IonicContact OD1-NE 3.91Å; D1053-R1057 PolarHBondContact OD1-NE 2.87Å; D1053-R1057 IonicContact OD1-NH2 2.71Å; D1053-R1057 IonicContact OD2-CZ 3Å; D1053-R1057 IonicContact OD2-NE 2.77Å; D1053-R1057 PolarHBondContact OD2-NE 2.75Å; D1053-R1057 IonicContact OD2-NH2 3.13Å; D1053-R1057 PolarHBondContact OD2-NH2 3.25Å; D1053-L1113 HydrophobicContact CB-CD1 4.3Å; D1053-L1113 VanDerWaalsContact OD2-CD1 3.27Å; D1053-L1113 WeakPolarHBondContact OD2-CD1 3.27Å |
| 1054 | L | 92.1 | Very high | 90.1 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 174.7 | -176.3 | 60.1 | 0 | 0 | 0 | 111.9 | L1050 L1051 L1052 N1056 R1057 L1058 I1095 V1109 L1113 V1130 | L1050-L1054 PolarHBondContact O-N 2.99Å; L1051-L1054 HydrophobicContact CD2-CD2 4.36Å; L1051-L1054 PolarHBondContact O-N 2.94Å; L1052-L1054 VanDerWaalsContact C-N 3.34Å; L1054-N1056 PolarHBondContact O-N 3.09Å; L1054-R1057 PolarHBondContact O-N 2.75Å; L1054-L1058 HydrophobicContact CD1-CD1 4.43Å; L1054-L1058 HydrophobicContact CD1-CG 4.43Å; L1054-L1058 HydrophobicContact CG-CD1 4.03Å; L1054-L1058 HydrophobicContact CG-CG 4.49Å; L1054-L1058 WeakPolarHBondContact O-CB 3.43Å; L1054-L1058 WeakPolarHBondContact O-CG 3.47Å; L1054-L1058 PolarHBondContact O-N 3.25Å; L1054-I1095 HydrophobicContact CB-CD1 4.33Å; L1054-I1095 HydrophobicContact CD2-CD1 4.12Å; L1054-I1095 HydrophobicContact CD2-CG2 4.32Å; L1054-I1095 HydrophobicContact CG-CD1 4.13Å; L1054-V1109 HydrophobicContact CD1-CG1 3.56Å; L1054-L1113 HydrophobicContact CD1-CD2 4.49Å; L1054-V1130 HydrophobicContact CD1-CG1 4.28Å; L1054-V1130 HydrophobicContact CD2-CG1 3.96Å |
| 1055 | Q | 92.6 | Very high | 90.1 | Very high | 14 Ų | 14 | 53.2 Ų | 53.2 | 7% | 0.065 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.1 | -47.4 | 177.3 | -164.6 | -177.8 | -69.2 | 0 | 0 | 111.3 | L1051 L1052 D1053 R1057 L1058 T1059 H1070 D1091 L1094 I1095 | L1051-Q1055 WeakPolarHBondContact O-CB 3.41Å; L1051-Q1055 PolarHBondContact O-N 2.9Å; L1052-Q1055 PolarHBondContact O-N 2.98Å; D1053-Q1055 PolarHBondContact O-N 2.68Å; Q1055-R1057 VanDerWaalsContact C-N 3.27Å; Q1055-R1057 PolarHBondContact O-N 2.97Å; Q1055-L1058 PolarHBondContact O-N 3.45Å; Q1055-T1059 PolarHBondContact O-N 3.16Å; Q1055-T1059 PolarHBondContact O-OG1 2.98Å; Q1055-T1059 VanDerWaalsContact O-OG1 3.06Å; Q1055-H1070 PolarHBondContact NE2-CE1 2.6Å; Q1055-D1091 VanDerWaalsContact OE1-N 3.13Å; Q1055-L1094 HydrophobicContact CG-CD2 3.5Å; Q1055-L1094 VanDerWaalsContact CG-CD2 3.5Å; Q1055-L1094 HydrophobicContact CG-CG 4.35Å; Q1055-I1095 HydrophobicContact CB-CD1 4.14Å |
| 1056 | N | 91.7 | Very high | 90.1 | Very high | 66 Ų | 66 | 47.3 Ų | 47.3 | 35% | 0.353 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.5 | -31.6 | 179.2 | -72 | -34 | 0 | 0 | 0 | 113.1 | L1052 D1053 L1054 | L1052-N1056 VanDerWaalsContact O-CG 3.3Å; L1052-N1056 PolarHBondContact O-N 2.93Å; L1052-N1056 PolarHBondContact O-ND2 3.49Å; L1052-N1056 VanDerWaalsContact O-ND2 3.11Å; D1053-N1056 PolarHBondContact O-N 2.86Å; L1054-N1056 PolarHBondContact O-N 3.09Å |
| 1057 | R | 91.7 | Very high | 90.3 | Very high | 46 Ų | 46 | 50.7 Ų | 50.7 | 17% | 0.174 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -75.8 | -43.3 | 175.6 | -68.5 | 161.8 | -178 | -87.4 | 5.1 | 111.4 | D1053 L1054 Q1055 T1059 K1060 V1061 V1109 S1111 T1112 | D1053-R1057 VanDerWaalsContact CG-NE 3.27Å; D1053-R1057 WeakPolarHBondContact O-CD 3.44Å; D1053-R1057 VanDerWaalsContact O-CG 3.27Å; D1053-R1057 WeakPolarHBondContact O-CG 3.28Å; D1053-R1057 PolarHBondContact O-N 3.34Å; D1053-R1057 VanDerWaalsContact O-N 3.09Å; D1053-R1057 IonicContact OD1-CZ 2.6Å; D1053-R1057 IonicContact OD1-NE 3.91Å; D1053-R1057 PolarHBondContact OD1-NE 2.87Å; D1053-R1057 IonicContact OD1-NH2 2.71Å; D1053-R1057 IonicContact OD2-CZ 3Å; D1053-R1057 IonicContact OD2-NE 2.77Å; D1053-R1057 PolarHBondContact OD2-NE 2.75Å; D1053-R1057 IonicContact OD2-NH2 3.13Å; D1053-R1057 PolarHBondContact OD2-NH2 3.25Å; L1054-R1057 PolarHBondContact O-N 2.75Å; Q1055-R1057 VanDerWaalsContact C-N 3.27Å; Q1055-R1057 PolarHBondContact O-N 2.97Å; R1057-T1059 VanDerWaalsContact C-N 3.34Å; R1057-T1059 PolarHBondContact O-N 3.42Å; R1057-K1060 PolarHBondContact O-N 3.18Å; R1057-K1060 VanDerWaalsContact O-N 3.13Å; R1057-V1061 PolarHBondContact O-N 2.87Å; R1057-V1109 HydrophobicContact CB-CG1 3.99Å; R1057-V1109 WeakPolarHBondContact CD-O 3.48Å; R1057-S1111 PolarHBondContact NH1-O 3.02Å; R1057-T1112 PolarHBondContact NH1-OG1 3.12Å; R1057-T1112 VanDerWaalsContact NH1-OG1 3.12Å; R1057-T1112 PolarHBondContact NH2-O 2.94Å |
| 1058 | L | 91.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.8 | -45 | 176.2 | -77.9 | 169.4 | 0 | 0 | 0 | 112 | L1054 Q1055 K1060 V1061 I1062 L1094 I1095 F1098 L1101 V1109 | L1054-L1058 HydrophobicContact CD1-CD1 4.43Å; L1054-L1058 HydrophobicContact CD1-CG 4.43Å; L1054-L1058 HydrophobicContact CG-CD1 4.03Å; L1054-L1058 HydrophobicContact CG-CG 4.49Å; L1054-L1058 WeakPolarHBondContact O-CB 3.43Å; L1054-L1058 WeakPolarHBondContact O-CG 3.47Å; L1054-L1058 PolarHBondContact O-N 3.25Å; Q1055-L1058 PolarHBondContact O-N 3.45Å; L1058-K1060 PolarHBondContact O-N 3.03Å; L1058-K1060 VanDerWaalsContact O-N 3.13Å; L1058-V1061 PolarHBondContact O-N 2.83Å; L1058-I1062 HydrophobicContact CB-CD1 4.14Å; L1058-I1062 HydrophobicContact CD2-CD1 4.03Å; L1058-I1062 WeakPolarHBondContact O-CB 3.3Å; L1058-I1062 WeakPolarHBondContact O-CG1 3.45Å; L1058-I1062 PolarHBondContact O-N 3.06Å; L1058-L1094 HydrophobicContact CB-CD1 4.24Å; L1058-L1094 HydrophobicContact CB-CG 4.34Å; L1058-L1094 HydrophobicContact CD1-CG 4.43Å; L1058-I1095 HydrophobicContact CD1-CD1 4.09Å; L1058-F1098 HydrophobicContact CD1-CB 4.43Å; L1058-F1098 HydrophobicContact CD2-CB 4.08Å; L1058-F1098 HydrophobicContact CD2-CD2 3.96Å; L1058-L1101 HydrophobicContact CD2-CD1 3.79Å; L1058-V1109 HydrophobicContact CD2-CG1 4.23Å; L1058-V1109 HydrophobicContact CD2-CG2 4.1Å; L1058-V1109 HydrophobicContact CG-CG1 4.28Å |
| 1059 | T | 90 | Very high | 90.4 | Very high | 42 Ų | 42 | 52.2 Ų | 52.2 | 26% | 0.258 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.9 | -26.9 | 178.3 | -59.4 | 0 | 0 | 0 | 0 | 113.2 | Q1055 R1057 H1070 | Q1055-T1059 PolarHBondContact O-N 3.16Å; Q1055-T1059 PolarHBondContact O-OG1 2.98Å; Q1055-T1059 VanDerWaalsContact O-OG1 3.06Å; R1057-T1059 VanDerWaalsContact C-N 3.34Å; R1057-T1059 PolarHBondContact O-N 3.42Å; T1059-H1070 HydrophobicContact CG2-CB 3.93Å |
| 1060 | K | 89.1 | Confident | 90.4 | Very high | 181 Ų | 181 | 49 Ų | 49 | 79% | 0.787 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -79.8 | -32.3 | 176.7 | -66.1 | 174.2 | -175.3 | 174.5 | 0 | 113.1 | R1057 L1058 | R1057-K1060 PolarHBondContact O-N 3.18Å; R1057-K1060 VanDerWaalsContact O-N 3.13Å; L1058-K1060 PolarHBondContact O-N 3.03Å; L1058-K1060 VanDerWaalsContact O-N 3.13Å |
| 1061 | V | 89.4 | Confident | 89.9 | Confident | 20 Ų | 20 | 49.4 Ų | 49.4 | 12% | 0.121 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -91.8 | -34.4 | -174.2 | 178.2 | 0 | 0 | 0 | 0 | 111.9 | R1057 L1058 K1063 K1105 E1108 V1109 | R1057-V1061 PolarHBondContact O-N 2.87Å; L1058-V1061 PolarHBondContact O-N 2.83Å; V1061-K1063 PolarHBondContact O-N 3.2Å; V1061-K1105 HydrophobicContact CG1-CB 3.9Å; V1061-K1105 HydrophobicContact CG1-CD 4.17Å; V1061-K1105 HydrophobicContact CG1-CG 4.02Å; V1061-E1108 HydrophobicContact CG2-CG 4.09Å; V1061-V1109 HydrophobicContact CB-CG2 3.93Å; V1061-V1109 HydrophobicContact CG1-CG2 4.13Å; V1061-V1109 HydrophobicContact CG2-CG2 3.71Å |
| 1062 | I | 87 | Confident | 89.2 | Confident | 38 Ų | 38 | 53.4 Ų | 53.4 | 20% | 0.195 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -76 | 124.8 | -179.7 | -67 | 172.2 | 0 | 0 | 0 | 109.9 | L1058 S1064 L1094 S1097 L1101 | L1058-I1062 HydrophobicContact CB-CD1 4.14Å; L1058-I1062 HydrophobicContact CD2-CD1 4.03Å; L1058-I1062 WeakPolarHBondContact O-CB 3.3Å; L1058-I1062 WeakPolarHBondContact O-CG1 3.45Å; L1058-I1062 PolarHBondContact O-N 3.06Å; I1062-S1064 PolarHBondContact O-N 2.81Å; I1062-L1094 HydrophobicContact CD1-CD1 3.59Å; I1062-S1097 WeakPolarHBondContact CD1-OG 3.33Å; I1062-L1101 HydrophobicContact CG1-CD1 4.43Å; I1062-L1101 HydrophobicContact CG1-CD2 4.07Å |
| 1063 | K | 82.1 | Confident | 88.8 | Confident | 181 Ų | 181 | 52.8 Ų | 52.8 | 79% | 0.787 | 26% | 0.261 | S | S | * | . | trans | -77.7 | 108.8 | 172.3 | -66.4 | -179.4 | -177.6 | 175.4 | 0 | 109 | V1061 | V1061-K1063 PolarHBondContact O-N 3.2Š| ||
| 1064 | S | 87.4 | Confident | 88.8 | Confident | 23 Ų | 23 | 50.4 Ų | 50.4 | 16% | 0.161 | 25% | 0.247 | C | C | . | . | trans | -69.3 | 132.6 | 175 | 176.2 | 0 | 0 | 0 | 0 | 111.8 | Y58 I1062 G1066 K1067 I1068 | Y58-S1064 VanDerWaalsContact CD2-OG 3.31Å; Y58-S1064 WeakPolarHBondContact CD2-OG 3.25Å; I1062-S1064 PolarHBondContact O-N 2.81Å; S1064-G1066 PolarHBondContact O-N 3.27Å; S1064-K1067 WeakPolarHBondContact O-CA 3.43Å; S1064-K1067 PolarHBondContact O-N 2.99Å; S1064-I1068 WeakPolarHBondContact CB-O 3.34Å; S1064-I1068 PolarHBondContact OG-N 3.36Å; S1064-I1068 VanDerWaalsContact OG-N 3.1Å; S1064-I1068 PolarHBondContact OG-O 2.9Å | ||
| 1065 | V | 89.2 | Confident | 88.9 | Confident | 22 Ų | 22 | 51.1 Ų | 51.1 | 13% | 0.133 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -65.3 | 127.9 | 170 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | V55 M57 L89 I100 K1067 | V55-V1065 HydrophobicContact CB-CG2 4.39Å; M57-V1065 HydrophobicContact CE-CG1 4.1Å; M57-V1065 HydrophobicContact CG-CB 4.14Å; M57-V1065 HydrophobicContact CG-CG1 3.94Å; M57-V1065 HydrophobicContact SD-CG1 4.13Å; L89-V1065 HydrophobicContact CD1-CG1 3.68Å; L89-V1065 HydrophobicContact CD2-CG1 4.08Å; I100-V1065 HydrophobicContact CG2-CG1 4.36Å; V1065-K1067 PolarHBondContact O-N 3.09Å |
| 1066 | G | 88.5 | Confident | 89 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | 75.7 | 2.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T102 H105 S1064 I1068 | T102-G1066 WeakPolarHBondContact OG1-CA 3.41Å; T102-G1066 PolarHBondContact OG1-N 2.83Å; T102-G1066 VanDerWaalsContact OG1-N 3.08Å; H105-G1066 WeakPolarHBondContact CB-O 3.22Å; S1064-G1066 PolarHBondContact O-N 3.27Å; G1066-I1068 PolarHBondContact O-N 3.29Å |
| 1067 | K | 92.3 | Very high | 89 | Confident | 125 Ų | 125 | 47.5 Ų | 47.5 | 54% | 0.543 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | 53.7 | 37.5 | -177.2 | -64.9 | -179.8 | 176.6 | -175 | 0 | 113.2 | T102 H105 S1064 V1065 | T102-K1067 HydrophobicContact CG2-CD 4.39Å; T102-K1067 HydrophobicContact CG2-CG 4.19Å; H105-K1067 VanDerWaalsContact CD2-CB 3.42Å; H105-K1067 WeakPolarHBondContact CD2-CB 3.33Å; S1064-K1067 WeakPolarHBondContact O-CA 3.43Å; S1064-K1067 PolarHBondContact O-N 2.99Å; V1065-K1067 PolarHBondContact O-N 3.09Å |
| 1068 | I | 92.9 | Very high | 89 | Confident | 12 Ų | 12 | 47.8 Ų | 47.8 | 6% | 0.062 | 23% | 0.234 | C | C | . | . | trans | -82.4 | 137.3 | 178.1 | -56.1 | 170.9 | 0 | 0 | 0 | 109 | Y58 T81 N85 S1064 G1066 T1073 | Y58-I1068 WeakPolarHBondContact CD2-O 3.49Å; Y58-I1068 WeakPolarHBondContact O-CG2 3.49Å; T81-I1068 HydrophobicContact CG2-CD1 3.91Å; N85-I1068 HydrophobicContact CB-CD1 3.86Å; N85-I1068 HydrophobicContact CB-CG1 4.05Å; S1064-I1068 WeakPolarHBondContact CB-O 3.34Å; S1064-I1068 PolarHBondContact OG-N 3.36Å; S1064-I1068 VanDerWaalsContact OG-N 3.1Å; S1064-I1068 PolarHBondContact OG-O 2.9Å; G1066-I1068 PolarHBondContact O-N 3.29Å; I1068-T1073 VanDerWaalsContact CG2-OG1 3.32Å; I1068-T1073 WeakPolarHBondContact CG2-OG1 3.16Å | ||
| 1069 | E | 91 | Very high | 89 | Confident | 113 Ų | 113 | 48.8 Ų | 48.8 | 53% | 0.528 | 24% | 0.24 | S | C | . | . | trans | -80.4 | 129.8 | 179.2 | -67.1 | -178.5 | 166.3 | 0 | 0 | 111.4 | T1073 W1074 | E1069-T1073 HydrophobicContact CB-CG2 4.38Å; E1069-T1073 PolarHBondContact O-OG1 3.38Å; E1069-W1074 PolarHBondContact O-N 3.2Å | ||
| 1070 | H | 91.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -65.3 | -56.7 | -177.5 | 177.9 | -88.1 | 0 | 0 | 0 | 112.7 | Y58 Q1055 T1059 W1074 R1075 D1091 | Y58-H1070 HydrophobicContact CD2-CB 4.16Å; Y58-H1070 AromaticContact CE1-CD2 3.95Å; Y58-H1070 HydrophobicContact CE2-CB 3.9Å; Y58-H1070 AromaticContact CZ-CD2 3.99Å; Q1055-H1070 PolarHBondContact NE2-CE1 2.6Å; T1059-H1070 HydrophobicContact CG2-CB 3.93Å; H1070-W1074 PolarHBondContact O-N 2.97Å; H1070-R1075 WeakPolarHBondContact NE2-CG 3.46Å; H1070-R1075 PolarHBondContact O-N 3.4Å; H1070-D1091 IonicContact CD2-OD2 3.64Å; H1070-D1091 IonicContact CE1-OD2 2.75Å; H1070-D1091 IonicContact NE2-OD2 2.68Å; H1070-D1091 PolarHBondContact NE2-OD2 3.49Å |
| 1071 | S | 81.3 | Confident | 88.4 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 25% | 0.245 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -77.1 | -41.8 | -170.5 | -49.5 | 0 | 0 | 0 | 0 | 114.2 | S1076 | S1071-S1076 PolarHBondContact O-OG 3.37Å |
| 1072 | D | 77.1 | Confident | 88.3 | Confident | 85 Ų | 85 | 58.2 Ų | 58.2 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | I | π-helix | trans | -92.7 | -13.6 | -169.3 | -72.8 | -34.3 | 0 | 0 | 0 | 114.3 | S1076 Q1085 | D1072-S1076 WeakPolarHBondContact CA-OG 3.46Å; D1072-S1076 PolarHBondContact O-OG 3.28Å; D1072-Q1085 PolarHBondContact OD1-NE2 2.91Å |
| 1073 | T | 84.9 | Confident | 88.5 | Confident | 42 Ų | 42 | 60.8 Ų | 60.8 | 26% | 0.258 | 29% | 0.291 | S | S | . | . | I | π-helix | trans | -126.3 | -53.5 | 177.8 | 69.4 | 0 | 0 | 0 | 0 | 112.8 | K83 I1068 E1069 S1076 | K83-T1073 WeakPolarHBondContact CD-O 3.46Å; K83-T1073 PolarHBondContact NZ-O 2.85Å; I1068-T1073 VanDerWaalsContact CG2-OG1 3.32Å; I1068-T1073 WeakPolarHBondContact CG2-OG1 3.16Å; E1069-T1073 HydrophobicContact CB-CG2 4.38Å; E1069-T1073 PolarHBondContact O-OG1 3.38Å; T1073-S1076 PolarHBondContact N-OG 3.04Å |
| 1074 | W | 91.8 | Very high | 88.8 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -73.2 | -62.2 | -172.2 | 172.1 | -127.5 | 0 | 0 | 0 | 112.7 | T37 Y58 K60 K83 H999 E1069 H1070 S1076 | T37-W1074 HydrophobicContact CG2-CH2 3.71Å; T37-W1074 HydrophobicContact CG2-CZ2 3.79Å; Y58-W1074 VanDerWaalsContact C-CD2 3.47Å; Y58-W1074 AromaticContact CD1-CD1 3.92Å; Y58-W1074 HydrophobicContact CG-CG 4.39Å; K60-W1074 HydrophobicContact CG-CH2 4.25Å; K60-W1074 HydrophobicContact CG-CZ3 4.4Å; K83-W1074 PolarHBondContact NZ-O 2.85Å; H999-W1074 WeakPolarHBondContact CB-O 3.48Å; H999-W1074 AromaticContact CD2-CE3 3.87Å; H999-W1074 AromaticContact CD2-CZ3 3.7Å; H999-W1074 PolarHBondContact CD2-O 2.76Å; H999-W1074 AromaticContact NE2-CZ3 3.7Å; E1069-W1074 PolarHBondContact O-N 3.2Å; H1070-W1074 PolarHBondContact O-N 2.97Å; W1074-S1076 VanDerWaalsContact C-N 3.3Å; W1074-S1076 PolarHBondContact O-N 2.79Å |
| 1075 | R | 94.8 | Very high | 88.9 | Confident | 20 Ų | 20 | 61.4 Ų | 61.4 | 8% | 0.075 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -81.3 | -4.9 | -176 | -64.6 | -51.8 | -165.9 | -178 | 2.7 | 114.6 | F998 H999 L1000 H1070 F1077 D1091 | F998-R1075 HydrophobicContact CD2-CB 4.31Å; F998-R1075 HydrophobicContact CE2-CB 4.03Å; F998-R1075 HydrophobicContact CE2-CG 3.82Å; F998-R1075 VanDerWaalsContact CZ-CD 3.43Å; F998-R1075 HydrophobicContact CZ-CG 4.21Å; F998-R1075 VanDerWaalsContact CZ-CZ 3.46Å; F998-R1075 VanDerWaalsContact CZ-NE 3.33Å; H999-R1075 PolarHBondContact N-O 3.44Å; H999-R1075 WeakPolarHBondContact O-CD 3.35Å; H999-R1075 PolarHBondContact O-NH1 2.84Å; L1000-R1075 PolarHBondContact O-NH1 2.9Å; H1070-R1075 WeakPolarHBondContact NE2-CG 3.46Å; H1070-R1075 PolarHBondContact O-N 3.4Å; R1075-F1077 PolarHBondContact O-N 3.08Å; R1075-D1091 IonicContact CZ-OD1 3.63Å; R1075-D1091 IonicContact CZ-OD2 3.66Å; R1075-D1091 VanDerWaalsContact CZ-OD2 3.29Å; R1075-D1091 IonicContact NE-OD2 3.22Å; R1075-D1091 PolarHBondContact NE-OD2 3.13Å; R1075-D1091 IonicContact NH2-OD1 3.65Å; R1075-D1091 PolarHBondContact NH2-OD1 3.21Å; R1075-D1091 IonicContact NH2-OD2 3.22Å; R1075-D1091 PolarHBondContact NH2-OD2 2.87Å |
| 1076 | S | 93.4 | Very high | 88.8 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -64.9 | 129.6 | 174.6 | -35.4 | 0 | 0 | 0 | 0 | 110.7 | K83 H999 S1071 D1072 T1073 W1074 H1078 E1084 | K83-S1076 PolarHBondContact NZ-O 3.39Å; H999-S1076 VanDerWaalsContact CB-O 3.28Å; H999-S1076 WeakPolarHBondContact CB-O 3.44Å; S1071-S1076 PolarHBondContact O-OG 3.37Å; D1072-S1076 WeakPolarHBondContact CA-OG 3.46Å; D1072-S1076 PolarHBondContact O-OG 3.28Å; T1073-S1076 PolarHBondContact N-OG 3.04Å; W1074-S1076 VanDerWaalsContact C-N 3.3Å; W1074-S1076 PolarHBondContact O-N 2.79Å; S1076-H1078 PolarHBondContact O-N 3.15Å; S1076-E1084 CarbonylContact C-O 3.4Å; S1076-E1084 WeakPolarHBondContact CA-O 3.36Å; S1076-E1084 WeakPolarHBondContact CB-O 3.48Å |
| 1077 | F | 92.9 | Very high | 89 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 127.1 | 176.4 | -173.2 | -87.6 | 0 | 0 | 0 | 109.3 | E969 N973 F975 V997 R1075 T1079 K1082 T1083 E1084 | E969-F1077 VanDerWaalsContact OE1-CZ 3.3Å; E969-F1077 WeakPolarHBondContact OE1-CZ 3.15Å; N973-F1077 HydrophobicContact CB-CD2 3.59Å; N973-F1077 HydrophobicContact CB-CE2 3.38Å; N973-F1077 HydrophobicContact CB-CZ 4.16Å; F975-F1077 HydrophobicContact CB-CE2 4.38Å; V997-F1077 HydrophobicContact CB-CB 3.86Å; V997-F1077 HydrophobicContact CB-CD2 3.67Å; V997-F1077 HydrophobicContact CB-CE2 4.46Å; V997-F1077 HydrophobicContact CB-CG 3.92Å; V997-F1077 HydrophobicContact CG1-CD2 4.07Å; V997-F1077 HydrophobicContact CG1-CE2 4.44Å; V997-F1077 HydrophobicContact CG1-CG 4.35Å; V997-F1077 HydrophobicContact CG2-CB 4.01Å; R1075-F1077 PolarHBondContact O-N 3.08Å; F1077-T1079 HydrophobicContact CD1-CG2 4.42Å; F1077-T1079 HydrophobicContact CE1-CG2 3.55Å; F1077-T1079 HydrophobicContact CZ-CG2 3.92Å; F1077-K1082 HydrophobicContact CD1-CG 4.21Å; F1077-K1082 HydrophobicContact CE1-CD 4.25Å; F1077-K1082 HydrophobicContact CE1-CG 4.03Å; F1077-T1083 CarbonylContact O-C 3.59Å; F1077-T1083 VanDerWaalsContact O-CA 3.24Å; F1077-T1083 WeakPolarHBondContact O-CA 3.37Å; F1077-E1084 HydrophobicContact CB-CB 4.46Å; F1077-E1084 PolarHBondContact N-O 2.6Å; F1077-E1084 PolarHBondContact O-N 2.7Å |
| 1078 | H | 92.4 | Very high | 89 | Confident | 53 Ų | 53 | 59.2 Ų | 59.2 | 25% | 0.245 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 117.1 | -173.8 | -179.5 | 73.1 | 0 | 0 | 0 | 111 | N973 S1076 T1083 | N973-H1078 PolarHBondContact ND2-O 3.46Å; N973-H1078 PolarHBondContact OD1-N 3.08Å; S1076-H1078 PolarHBondContact O-N 3.15Å; H1078-T1083 PolarHBondContact ND1-OG1 2.8Å |
| 1079 | T | 89.9 | Confident | 89.2 | Confident | 20 Ų | 20 | 59 Ų | 59 | 12% | 0.123 | 30% | 0.297 | C | S | . | . | trans | -123.6 | 172.9 | 168.1 | 62.9 | 0 | 0 | 0 | 0 | 109.3 | E969 A971 F1077 R1081 K1082 | E969-T1079 WeakPolarHBondContact OE1-CG2 3.19Å; A971-T1079 HydrophobicContact CB-CG2 4.13Å; F1077-T1079 HydrophobicContact CD1-CG2 4.42Å; F1077-T1079 HydrophobicContact CE1-CG2 3.55Å; F1077-T1079 HydrophobicContact CZ-CG2 3.92Å; T1079-R1081 PolarHBondContact O-N 3.14Å; T1079-R1081 VanDerWaalsContact O-N 3.07Å; T1079-R1081 PolarHBondContact OG1-N 3.28Å; T1079-K1082 PolarHBondContact N-O 3.34Å; T1079-K1082 PolarHBondContact OG1-N 2.83Å; T1079-K1082 VanDerWaalsContact OG1-N 3.08Å; T1079-K1082 PolarHBondContact OG1-O 3.27Å | ||
| 1080 | E | 82.4 | Confident | 89.4 | Confident | 195 Ų | 195 | 53.6 Ų | 53.6 | 91% | 0.911 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -56.3 | -24.4 | 170.9 | -63.2 | -171.9 | 162.6 | 0 | 0 | 112.7 | ||
| 1081 | R | 84.4 | Confident | 89.6 | Confident | 203 Ų | 203 | 53.8 Ų | 53.8 | 77% | 0.766 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -97.9 | -41.8 | -171.7 | -133 | -177.6 | -174.1 | -147.6 | 3.2 | 113.5 | T1079 | T1079-R1081 PolarHBondContact O-N 3.14Å; T1079-R1081 VanDerWaalsContact O-N 3.07Å; T1079-R1081 PolarHBondContact OG1-N 3.28Å |
| 1082 | K | 88.4 | Confident | 90.3 | Very high | 43 Ų | 43 | 52.1 Ų | 52.1 | 19% | 0.187 | 26% | 0.262 | C | S | . | . | trans | -139 | 149.8 | -173.5 | 67.9 | 179.1 | -173.4 | 168.5 | 0 | 111.9 | E994 F1077 T1079 E1084 | E994-K1082 IonicContact OE1-NZ 3.39Å; E994-K1082 IonicContact OE2-NZ 2.66Å; E994-K1082 PolarHBondContact OE2-NZ 3.48Å; F1077-K1082 HydrophobicContact CD1-CG 4.21Å; F1077-K1082 HydrophobicContact CE1-CD 4.25Å; F1077-K1082 HydrophobicContact CE1-CG 4.03Å; T1079-K1082 PolarHBondContact N-O 3.34Å; T1079-K1082 PolarHBondContact OG1-N 2.83Å; T1079-K1082 VanDerWaalsContact OG1-N 3.08Å; T1079-K1082 PolarHBondContact OG1-O 3.27Å; K1082-E1084 HydrophobicContact CD-CG 4.5Å; K1082-E1084 IonicContact NZ-OE2 2.67Å; K1082-E1084 PolarHBondContact NZ-OE2 3.24Å | ||
| 1083 | T | 89.4 | Confident | 91 | Very high | 92 Ų | 92 | 50.9 Ų | 50.9 | 56% | 0.564 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 119.6 | 168.8 | -59.2 | 0 | 0 | 0 | 0 | 107.8 | F1077 H1078 | F1077-T1083 CarbonylContact O-C 3.59Å; F1077-T1083 VanDerWaalsContact O-CA 3.24Å; F1077-T1083 WeakPolarHBondContact O-CA 3.37Å; H1078-T1083 PolarHBondContact ND1-OG1 2.8Å |
| 1084 | E | 90.2 | Very high | 91.5 | Very high | 88 Ų | 88 | 49.2 Ų | 49.2 | 41% | 0.411 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 147.7 | -173.9 | -67.5 | 178.5 | 168.1 | 0 | 0 | 109.8 | S1076 F1077 K1082 | S1076-E1084 CarbonylContact C-O 3.4Å; S1076-E1084 WeakPolarHBondContact CA-O 3.36Å; S1076-E1084 WeakPolarHBondContact CB-O 3.48Å; F1077-E1084 HydrophobicContact CB-CB 4.46Å; F1077-E1084 PolarHBondContact N-O 2.6Å; F1077-E1084 PolarHBondContact O-N 2.7Å; K1082-E1084 HydrophobicContact CD-CG 4.5Å; K1082-E1084 IonicContact NZ-OE2 2.67Å; K1082-E1084 PolarHBondContact NZ-OE2 3.24Å |
| 1085 | Q | 89.2 | Confident | 91.6 | Very high | 129 Ų | 129 | 48.9 Ų | 48.9 | 60% | 0.603 | 24% | 0.243 | S | C | * | . | trans | -66.4 | 145.3 | 176.2 | -76.2 | -178.1 | -22.6 | 0 | 0 | 110.4 | V997 D1072 T1087 | V997-Q1085 WeakPolarHBondContact CG2-O 3.23Å; D1072-Q1085 PolarHBondContact OD1-NE2 2.91Å; Q1085-T1087 PolarHBondContact O-N 3.47Å | ||
| 1086 | G | 86.1 | Confident | 91.4 | Very high | 35 Ų | 35 | 49.6 Ų | 49.6 | 36% | 0.361 | 25% | 0.247 | S | C | . | . | trans | -63.4 | 130.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V997 | V997-G1086 VanDerWaalsContact O-CA 3.26Å; V997-G1086 WeakPolarHBondContact O-CA 3.2Å | ||
| 1087 | T | 92.7 | Very high | 91.3 | Very high | 66 Ų | 66 | 50.9 Ų | 50.9 | 41% | 0.405 | 26% | 0.256 | S | S | . | . | B | Isolated β-bridge | trans | -140.2 | 153.4 | 179.5 | 60.7 | 0 | 0 | 0 | 0 | 110.4 | G996 V997 Q1085 F1089 | G996-T1087 CarbonylContact C-O 3.57Å; G996-T1087 WeakPolarHBondContact CA-O 3.22Å; V997-T1087 PolarHBondContact N-O 2.89Å; V997-T1087 PolarHBondContact O-N 3.22Å; Q1085-T1087 PolarHBondContact O-N 3.47Å; T1087-F1089 PolarHBondContact O-N 2.96Å |
| 1088 | G | 92.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 69.2 | 4.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N4 Y1048 | N4-G1088 PolarHBondContact N-O 2.85Å; N4-G1088 PolarHBondContact ND2-O 2.85Å; Y1048-G1088 PolarHBondContact OH-N 3.36Å; Y1048-G1088 VanDerWaalsContact OH-N 3.14Å |
| 1089 | F | 96.1 | Very high | 91 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 136.4 | -179.6 | -80.5 | -82.6 | 0 | 0 | 0 | 111.4 | N4 V6 L966 L974 V976 F998 T1087 | N4-F1089 HydrophobicContact CB-CD1 3.71Å; N4-F1089 HydrophobicContact CB-CE1 3.68Å; N4-F1089 HydrophobicContact CB-CG 4.44Å; N4-F1089 HydrophobicContact CB-CZ 4.39Å; N4-F1089 CarbonylContact O-C 3.6Å; N4-F1089 VanDerWaalsContact O-CA 3.31Å; N4-F1089 WeakPolarHBondContact O-CA 3.4Å; V6-F1089 HydrophobicContact CG2-CD1 3.44Å; V6-F1089 VanDerWaalsContact CG2-CD1 3.44Å; V6-F1089 HydrophobicContact CG2-CE1 3.58Å; L966-F1089 HydrophobicContact CD1-CZ 3.96Å; L974-F1089 HydrophobicContact CB-CZ 4.12Å; V976-F1089 HydrophobicContact CG2-CE2 3.87Å; V976-F1089 HydrophobicContact CG2-CZ 3.59Å; F998-F1089 HydrophobicContact CB-CB 3.77Å; F998-F1089 HydrophobicContact CB-CD1 4.23Å; F998-F1089 HydrophobicContact CB-CD2 3.57Å; F998-F1089 HydrophobicContact CB-CE2 4.14Å; F998-F1089 HydrophobicContact CB-CG 3.6Å; F998-F1089 HydrophobicContact CD2-CB 3.72Å; F998-F1089 HydrophobicContact CD2-CG 4.39Å; F998-F1089 HydrophobicContact CG-CB 3.95Å; F998-F1089 HydrophobicContact CG-CD1 4.49Å; F998-F1089 HydrophobicContact CG-CG 4.11Å; T1087-F1089 PolarHBondContact O-N 2.96Å |
| 1090 | I | 96.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132 | 170.8 | -60.6 | -59.6 | 0 | 0 | 0 | 108.9 | N4 Y5 V6 L1043 Y1048 L1051 L1052 G1092 I1095 | N4-I1090 PolarHBondContact O-N 3.33Å; Y5-I1090 HydrophobicContact CD2-CB 4.04Å; Y5-I1090 HydrophobicContact CD2-CG2 3.78Å; Y5-I1090 HydrophobicContact CE2-CG2 4.12Å; V6-I1090 PolarHBondContact N-O 3.43Å; L1043-I1090 HydrophobicContact CD1-CB 4.3Å; L1043-I1090 HydrophobicContact CD1-CG1 3.86Å; Y1048-I1090 HydrophobicContact CD2-CD1 3.81Å; Y1048-I1090 HydrophobicContact CD2-CG1 3.7Å; Y1048-I1090 HydrophobicContact CE2-CD1 3.71Å; Y1048-I1090 HydrophobicContact CE2-CG1 3.94Å; L1051-I1090 HydrophobicContact CB-CD1 4.33Å; L1051-I1090 HydrophobicContact CB-CG1 4.2Å; L1051-I1090 HydrophobicContact CB-CG2 4.01Å; L1051-I1090 HydrophobicContact CD1-CG2 4.46Å; L1052-I1090 HydrophobicContact CB-CD1 3.89Å; L1052-I1090 HydrophobicContact CD1-CD1 4.13Å; I1090-G1092 PolarHBondContact O-N 2.71Å; I1090-I1095 HydrophobicContact CG2-CD1 4.37Å; I1090-I1095 HydrophobicContact CG2-CG1 3.84Å |
| 1091 | D | 96.1 | Very high | 90.9 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 100 | 177.2 | -171.2 | -0.5 | 0 | 0 | 0 | 110.4 | F998 Q1055 H1070 R1075 D1093 L1094 I1095 | F998-D1091 HydrophobicContact CE2-CB 4.13Å; F998-D1091 HydrophobicContact CZ-CB 4.22Å; Q1055-D1091 VanDerWaalsContact OE1-N 3.13Å; H1070-D1091 IonicContact CD2-OD2 3.64Å; H1070-D1091 IonicContact CE1-OD2 2.75Å; H1070-D1091 IonicContact NE2-OD2 2.68Å; H1070-D1091 PolarHBondContact NE2-OD2 3.49Å; R1075-D1091 IonicContact CZ-OD1 3.63Å; R1075-D1091 IonicContact CZ-OD2 3.66Å; R1075-D1091 VanDerWaalsContact CZ-OD2 3.29Å; R1075-D1091 IonicContact NE-OD2 3.22Å; R1075-D1091 PolarHBondContact NE-OD2 3.13Å; R1075-D1091 IonicContact NH2-OD1 3.65Å; R1075-D1091 PolarHBondContact NH2-OD1 3.21Å; R1075-D1091 IonicContact NH2-OD2 3.22Å; R1075-D1091 PolarHBondContact NH2-OD2 2.87Å; D1091-D1093 VanDerWaalsContact C-N 3.29Å; D1091-D1093 PolarHBondContact O-N 3.09Å; D1091-D1093 PolarHBondContact OD1-N 2.94Å; D1091-L1094 HydrophobicContact CB-CB 4.29Å; D1091-L1094 PolarHBondContact O-N 3.3Å; D1091-I1095 WeakPolarHBondContact O-CG1 3.24Å; D1091-I1095 PolarHBondContact O-N 2.64Å |
| 1092 | G | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.5 | -35.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y5 V6 I1090 L1094 I1095 E1096 | Y5-G1092 WeakPolarHBondContact OH-CA 3.47Å; V6-G1092 WeakPolarHBondContact O-CA 3.49Å; V6-G1092 PolarHBondContact O-N 2.88Å; I1090-G1092 PolarHBondContact O-N 2.71Å; G1092-L1094 PolarHBondContact O-N 3.07Å; G1092-I1095 PolarHBondContact O-N 3.16Å; G1092-I1095 VanDerWaalsContact O-N 3.09Å; G1092-E1096 WeakPolarHBondContact O-CG 3.26Å; G1092-E1096 PolarHBondContact O-N 2.93Å |
| 1093 | D | 93.3 | Very high | 90.8 | Very high | 59 Ų | 59 | 42.5 Ų | 42.5 | 32% | 0.316 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.4 | -36.4 | 178.6 | -61.3 | -19.1 | 0 | 0 | 0 | 111.2 | T8 D1091 S1097 | T8-D1093 VanDerWaalsContact CB-OD1 3.28Å; T8-D1093 WeakPolarHBondContact CB-OD1 3.36Å; T8-D1093 PolarHBondContact N-OD1 2.95Å; T8-D1093 PolarHBondContact OG1-OD1 3.39Å; T8-D1093 PolarHBondContact OG1-OD2 3.08Å; D1091-D1093 VanDerWaalsContact C-N 3.29Å; D1091-D1093 PolarHBondContact O-N 3.09Å; D1091-D1093 PolarHBondContact OD1-N 2.94Å; D1093-S1097 PolarHBondContact O-N 2.82Å |
| 1094 | L | 93.4 | Very high | 90.8 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -73 | -43.4 | 175.6 | 180 | 57.5 | 0 | 0 | 0 | 111.3 | Q1055 L1058 I1062 D1091 G1092 E1096 S1097 | Q1055-L1094 HydrophobicContact CG-CD2 3.5Å; Q1055-L1094 VanDerWaalsContact CG-CD2 3.5Å; Q1055-L1094 HydrophobicContact CG-CG 4.35Å; L1058-L1094 HydrophobicContact CB-CD1 4.24Å; L1058-L1094 HydrophobicContact CB-CG 4.34Å; L1058-L1094 HydrophobicContact CD1-CG 4.43Å; I1062-L1094 HydrophobicContact CD1-CD1 3.59Å; D1091-L1094 HydrophobicContact CB-CB 4.29Å; D1091-L1094 PolarHBondContact O-N 3.3Å; G1092-L1094 PolarHBondContact O-N 3.07Å; L1094-E1096 VanDerWaalsContact C-N 3.32Å; L1094-E1096 PolarHBondContact O-N 2.91Å; L1094-S1097 WeakPolarHBondContact O-CB 3.41Å; L1094-S1097 PolarHBondContact O-N 3.04Å; L1094-S1097 PolarHBondContact O-OG 3.07Å |
| 1095 | I | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.4 | -43.1 | 178 | -62.6 | -57.8 | 0 | 0 | 0 | 111 | Y5 L1051 L1054 Q1055 L1058 I1090 D1091 G1092 S1097 F1098 V1134 L1137 | Y5-I1095 HydrophobicContact CE2-CG1 4.44Å; L1051-I1095 HydrophobicContact CD2-CG2 4.25Å; L1054-I1095 HydrophobicContact CB-CD1 4.33Å; L1054-I1095 HydrophobicContact CD2-CD1 4.12Å; L1054-I1095 HydrophobicContact CD2-CG2 4.32Å; L1054-I1095 HydrophobicContact CG-CD1 4.13Å; Q1055-I1095 HydrophobicContact CB-CD1 4.14Å; L1058-I1095 HydrophobicContact CD1-CD1 4.09Å; I1090-I1095 HydrophobicContact CG2-CD1 4.37Å; I1090-I1095 HydrophobicContact CG2-CG1 3.84Å; D1091-I1095 WeakPolarHBondContact O-CG1 3.24Å; D1091-I1095 PolarHBondContact O-N 2.64Å; G1092-I1095 PolarHBondContact O-N 3.16Å; G1092-I1095 VanDerWaalsContact O-N 3.09Å; I1095-S1097 VanDerWaalsContact C-N 3.3Å; I1095-S1097 PolarHBondContact O-N 3.24Å; I1095-F1098 WeakPolarHBondContact O-CB 3.38Å; I1095-F1098 PolarHBondContact O-N 3.33Å; I1095-F1098 VanDerWaalsContact O-N 3.14Å; I1095-V1134 HydrophobicContact CG2-CG1 4.33Å; I1095-V1134 HydrophobicContact CG2-CG2 3.88Å; I1095-L1137 HydrophobicContact CG2-CD1 4.33Å |
| 1096 | E | 92.1 | Very high | 90.7 | Very high | 36 Ų | 36 | 35.5 Ų | 35.5 | 17% | 0.168 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.9 | -30.1 | -179.4 | -69.6 | -172.1 | -176.4 | 0 | 0 | 113.3 | G1092 L1094 F1098 L1099 V1134 T1138 H1141 | G1092-E1096 WeakPolarHBondContact O-CG 3.26Å; G1092-E1096 PolarHBondContact O-N 2.93Å; L1094-E1096 VanDerWaalsContact C-N 3.32Å; L1094-E1096 PolarHBondContact O-N 2.91Å; E1096-F1098 PolarHBondContact O-N 3.07Å; E1096-L1099 PolarHBondContact O-N 3.02Å; E1096-V1134 HydrophobicContact CG-CG1 4.37Å; E1096-T1138 HydrophobicContact CB-CG2 4.34Å; E1096-T1138 VanDerWaalsContact CD-CG2 3.5Å; E1096-T1138 HydrophobicContact CG-CG2 3.64Å; E1096-H1141 IonicContact OE1-CE1 3.64Å; E1096-H1141 PolarHBondContact OE1-CE1 3.39Å; E1096-H1141 IonicContact OE1-ND1 2.87Å; E1096-H1141 IonicContact OE2-CE1 3.7Å; E1096-H1141 IonicContact OE2-NE2 3.96Å |
| 1097 | S | 90.6 | Very high | 90.9 | Very high | 29 Ų | 29 | 40 Ų | 40 | 20% | 0.203 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -60.3 | -15.5 | 173.8 | 80.6 | 0 | 0 | 0 | 0 | 113.5 | I1062 D1093 L1094 I1095 L1099 D1100 | I1062-S1097 WeakPolarHBondContact CD1-OG 3.33Å; D1093-S1097 PolarHBondContact O-N 2.82Å; L1094-S1097 WeakPolarHBondContact O-CB 3.41Å; L1094-S1097 PolarHBondContact O-N 3.04Å; L1094-S1097 PolarHBondContact O-OG 3.07Å; I1095-S1097 VanDerWaalsContact C-N 3.3Å; I1095-S1097 PolarHBondContact O-N 3.24Å; S1097-L1099 PolarHBondContact O-N 2.92Å; S1097-D1100 WeakPolarHBondContact O-CB 3.24Å; S1097-D1100 PolarHBondContact O-N 3.19Å |
| 1098 | F | 92 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -55.8 | -39.4 | 171.5 | 177.9 | -104.3 | 0 | 0 | 0 | 112.1 | L1058 I1095 E1096 D1100 L1101 M1106 V1109 V1110 V1130 I1131 V1134 | L1058-F1098 HydrophobicContact CD1-CB 4.43Å; L1058-F1098 HydrophobicContact CD2-CB 4.08Å; L1058-F1098 HydrophobicContact CD2-CD2 3.96Å; I1095-F1098 WeakPolarHBondContact O-CB 3.38Å; I1095-F1098 PolarHBondContact O-N 3.33Å; I1095-F1098 VanDerWaalsContact O-N 3.14Å; E1096-F1098 PolarHBondContact O-N 3.07Å; F1098-D1100 PolarHBondContact O-N 2.98Å; F1098-L1101 HydrophobicContact CD2-CD1 4.36Å; F1098-L1101 WeakPolarHBondContact O-CB 3.35Å; F1098-L1101 PolarHBondContact O-N 3.18Å; F1098-L1101 VanDerWaalsContact O-N 3.17Å; F1098-M1106 HydrophobicContact CD2-CG 4.31Å; F1098-M1106 HydrophobicContact CE1-CG 4.28Å; F1098-M1106 HydrophobicContact CE2-CB 3.76Å; F1098-M1106 HydrophobicContact CE2-CG 3.8Å; F1098-M1106 HydrophobicContact CZ-CB 3.72Å; F1098-M1106 HydrophobicContact CZ-CG 3.78Å; F1098-M1106 HydrophobicContact CZ-SD 4.47Å; F1098-M1106 WeakPolarHBondContact O-CE 3.46Å; F1098-V1109 HydrophobicContact CD2-CG1 4.24Å; F1098-V1109 HydrophobicContact CE2-CB 4.14Å; F1098-V1109 HydrophobicContact CE2-CG1 4.06Å; F1098-V1110 HydrophobicContact CE2-CG2 4.17Å; F1098-V1110 HydrophobicContact CZ-CG2 3.97Å; F1098-V1130 HydrophobicContact CD1-CG1 3.94Å; F1098-V1130 HydrophobicContact CE1-CB 3.91Å; F1098-V1130 HydrophobicContact CE1-CG1 3.51Å; F1098-V1130 HydrophobicContact CE2-CG1 4.34Å; F1098-V1130 HydrophobicContact CZ-CB 4.02Å; F1098-V1130 HydrophobicContact CZ-CG1 3.74Å; F1098-I1131 HydrophobicContact CE1-CG1 3.9Å; F1098-V1134 HydrophobicContact CD1-CG2 4.21Å |
| 1099 | L | 87.3 | Confident | 90.7 | Very high | 41 Ų | 41 | 42.3 Ų | 42.3 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -66.7 | -19.1 | 179.8 | -61.3 | 178.9 | 0 | 0 | 0 | 112.7 | E1096 S1097 I1131 V1134 E1135 T1138 | E1096-L1099 PolarHBondContact O-N 3.02Å; S1097-L1099 PolarHBondContact O-N 2.92Å; L1099-I1131 HydrophobicContact CD2-CB 4.33Å; L1099-I1131 HydrophobicContact CD2-CG1 4.24Å; L1099-I1131 HydrophobicContact CD2-CG2 4Å; L1099-V1134 HydrophobicContact CD1-CB 4.45Å; L1099-V1134 HydrophobicContact CD1-CG1 3.82Å; L1099-V1134 HydrophobicContact CD2-CB 4.2Å; L1099-V1134 HydrophobicContact CD2-CG1 4.24Å; L1099-V1134 HydrophobicContact CG-CB 4.24Å; L1099-V1134 HydrophobicContact CG-CG1 3.72Å; L1099-E1135 HydrophobicContact CD1-CG 4.27Å; L1099-E1135 HydrophobicContact CD2-CG 4.44Å; L1099-T1138 HydrophobicContact CD1-CG2 4.01Å |
| 1100 | D | 84.6 | Confident | 90.3 | Very high | 81 Ų | 81 | 42.3 Ų | 42.3 | 43% | 0.433 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -90.1 | -9.1 | 179.5 | -67.7 | -22.3 | 0 | 0 | 0 | 113.3 | K665 S1097 F1098 | K665-D1100 WeakPolarHBondContact CE-OD1 3.48Å; K665-D1100 IonicContact NZ-OD1 2.75Å; K665-D1100 PolarHBondContact NZ-OD1 3.49Å; K665-D1100 IonicContact NZ-OD2 2.75Å; K665-D1100 PolarHBondContact NZ-OD2 2.97Å; S1097-D1100 WeakPolarHBondContact O-CB 3.24Å; S1097-D1100 PolarHBondContact O-N 3.19Å; F1098-D1100 PolarHBondContact O-N 2.98Å |
| 1101 | L | 85.9 | Confident | 89.7 | Confident | 22 Ų | 22 | 45.3 Ų | 45.3 | 12% | 0.115 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -75.1 | 148.5 | 177.8 | -60.3 | -178.3 | 0 | 0 | 0 | 111.8 | L1058 I1062 F1098 K1105 M1106 V1109 | L1058-L1101 HydrophobicContact CD2-CD1 3.79Å; I1062-L1101 HydrophobicContact CG1-CD1 4.43Å; I1062-L1101 HydrophobicContact CG1-CD2 4.07Å; F1098-L1101 HydrophobicContact CD2-CD1 4.36Å; F1098-L1101 WeakPolarHBondContact O-CB 3.35Å; F1098-L1101 PolarHBondContact O-N 3.18Å; F1098-L1101 VanDerWaalsContact O-N 3.17Å; L1101-K1105 HydrophobicContact CB-CB 4.16Å; L1101-K1105 HydrophobicContact CD1-CB 4.49Å; L1101-K1105 HydrophobicContact CD2-CD 4.37Å; L1101-M1106 HydrophobicContact CB-CG 4.05Å; L1101-M1106 VanDerWaalsContact O-CE 3.31Å; L1101-M1106 WeakPolarHBondContact O-CE 2.97Å; L1101-V1109 HydrophobicContact CD1-CG2 4.26Å |
| 1102 | S | 86.2 | Confident | 88.9 | Confident | 65 Ų | 65 | 49.6 Ų | 49.6 | 46% | 0.455 | 27% | 0.268 | S | S | . | . | trans | -59.8 | 146.8 | 166.8 | 62.9 | 0 | 0 | 0 | 0 | 110.4 | A1104 K1105 M1106 | S1102-A1104 PolarHBondContact O-N 2.95Å; S1102-A1104 VanDerWaalsContact O-N 3.07Å; S1102-K1105 WeakPolarHBondContact O-CA 3.43Å; S1102-K1105 WeakPolarHBondContact O-CB 3.37Å; S1102-K1105 PolarHBondContact O-N 2.9Å; S1102-K1105 WeakPolarHBondContact OG-CG 3.18Å; S1102-M1106 PolarHBondContact O-N 3.48Å | ||
| 1103 | R | 84 | Confident | 88.5 | Confident | 130 Ų | 130 | 49.6 Ų | 49.6 | 49% | 0.491 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -55.2 | -33.2 | -178 | -158.9 | 169.2 | -166.6 | -157.6 | 3.1 | 114.1 | M1106 Q1107 D1128 | R1103-M1106 PolarHBondContact O-N 3.16Å; R1103-Q1107 PolarHBondContact O-N 3.12Å; R1103-D1128 IonicContact NH2-OD1 3.02Å; R1103-D1128 PolarHBondContact NH2-OD1 2.84Å; R1103-D1128 VanDerWaalsContact NH2-OD1 3.11Å; R1103-D1128 IonicContact NH2-OD2 3Å |
| 1104 | A | 88.1 | Confident | 88 | Confident | 73 Ų | 73 | 50.9 Ų | 50.9 | 60% | 0.603 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62.1 | -44.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1102 Q1107 E1108 | S1102-A1104 PolarHBondContact O-N 2.95Å; S1102-A1104 VanDerWaalsContact O-N 3.07Å; A1104-Q1107 WeakPolarHBondContact O-CB 3.46Å; A1104-Q1107 PolarHBondContact O-N 2.84Å; A1104-E1108 PolarHBondContact O-N 2.8Å |
| 1105 | K | 88.8 | Confident | 87.4 | Confident | 76 Ų | 76 | 51.5 Ų | 51.5 | 33% | 0.33 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.6 | -37.6 | 175.1 | -72.3 | -179.3 | -178.9 | 178.5 | 0 | 112.1 | V1061 L1101 S1102 Q1107 E1108 V1109 | V1061-K1105 HydrophobicContact CG1-CB 3.9Å; V1061-K1105 HydrophobicContact CG1-CD 4.17Å; V1061-K1105 HydrophobicContact CG1-CG 4.02Å; L1101-K1105 HydrophobicContact CB-CB 4.16Å; L1101-K1105 HydrophobicContact CD1-CB 4.49Å; L1101-K1105 HydrophobicContact CD2-CD 4.37Å; S1102-K1105 WeakPolarHBondContact O-CA 3.43Å; S1102-K1105 WeakPolarHBondContact O-CB 3.37Å; S1102-K1105 PolarHBondContact O-N 2.9Å; S1102-K1105 WeakPolarHBondContact OG-CG 3.18Å; K1105-Q1107 PolarHBondContact O-N 3.42Å; K1105-E1108 WeakPolarHBondContact O-CB 3.21Å; K1105-E1108 PolarHBondContact O-N 3.23Å; K1105-V1109 WeakPolarHBondContact O-CG2 3.23Å; K1105-V1109 PolarHBondContact O-N 3.24Å |
| 1106 | M | 90.1 | Very high | 86.3 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 6% | 0.064 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.9 | -41.9 | 173 | -67.7 | 171.6 | 165.9 | 0 | 0 | 110.8 | F1098 L1101 S1102 R1103 E1108 V1109 V1110 V1127 I1131 | F1098-M1106 HydrophobicContact CD2-CG 4.31Å; F1098-M1106 HydrophobicContact CE1-CG 4.28Å; F1098-M1106 HydrophobicContact CE2-CB 3.76Å; F1098-M1106 HydrophobicContact CE2-CG 3.8Å; F1098-M1106 HydrophobicContact CZ-CB 3.72Å; F1098-M1106 HydrophobicContact CZ-CG 3.78Å; F1098-M1106 HydrophobicContact CZ-SD 4.47Å; F1098-M1106 WeakPolarHBondContact O-CE 3.46Å; L1101-M1106 HydrophobicContact CB-CG 4.05Å; L1101-M1106 VanDerWaalsContact O-CE 3.31Å; L1101-M1106 WeakPolarHBondContact O-CE 2.97Å; S1102-M1106 PolarHBondContact O-N 3.48Å; R1103-M1106 PolarHBondContact O-N 3.16Å; M1106-E1108 VanDerWaalsContact C-N 3.35Å; M1106-V1109 PolarHBondContact O-N 2.91Å; M1106-V1110 WeakPolarHBondContact O-CB 3.49Å; M1106-V1110 VanDerWaalsContact O-CG2 3.27Å; M1106-V1110 WeakPolarHBondContact O-CG2 3.45Å; M1106-V1110 PolarHBondContact O-N 3.23Å; M1106-V1127 HydrophobicContact CB-CG1 3.76Å; M1106-V1127 HydrophobicContact CB-CG2 4.29Å; M1106-V1127 HydrophobicContact CG-CG1 4.46Å; M1106-V1127 HydrophobicContact SD-CG1 3.95Å; M1106-I1131 HydrophobicContact SD-CD1 4.14Å |
| 1107 | Q | 89.8 | Confident | 84.8 | Confident | 130 Ų | 130 | 57.7 Ų | 57.7 | 61% | 0.607 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -68 | -34.5 | 178.5 | -151.4 | 162.1 | 0.6 | 0 | 0 | 112.4 | R1103 A1104 K1105 S1111 V1127 | R1103-Q1107 PolarHBondContact O-N 3.12Å; A1104-Q1107 WeakPolarHBondContact O-CB 3.46Å; A1104-Q1107 PolarHBondContact O-N 2.84Å; K1105-Q1107 PolarHBondContact O-N 3.42Å; Q1107-S1111 PolarHBondContact O-N 3.23Å; Q1107-V1127 HydrophobicContact CB-CG2 4.11Å; Q1107-V1127 HydrophobicContact CG-CG2 4.19Å |
| 1108 | E | 91.2 | Very high | 83.4 | Confident | 114 Ų | 114 | 60 Ų | 60 | 53% | 0.533 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 170.7 | -173.7 | -179.5 | 178.4 | 0 | 0 | 111.7 | V1061 A1104 K1105 M1106 S1111 | V1061-E1108 HydrophobicContact CG2-CG 4.09Å; A1104-E1108 PolarHBondContact O-N 2.8Å; K1105-E1108 WeakPolarHBondContact O-CB 3.21Å; K1105-E1108 PolarHBondContact O-N 3.23Å; M1106-E1108 VanDerWaalsContact C-N 3.35Å; E1108-S1111 WeakPolarHBondContact O-CB 3.46Å; E1108-S1111 PolarHBondContact O-N 2.81Å; E1108-S1111 PolarHBondContact O-OG 2.84Å |
| 1109 | V | 89.4 | Confident | 81.7 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.012 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62 | -46.7 | 177.1 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | L1054 R1057 L1058 V1061 F1098 L1101 K1105 M1106 S1111 | L1054-V1109 HydrophobicContact CD1-CG1 3.56Å; R1057-V1109 HydrophobicContact CB-CG1 3.99Å; R1057-V1109 WeakPolarHBondContact CD-O 3.48Å; L1058-V1109 HydrophobicContact CD2-CG1 4.23Å; L1058-V1109 HydrophobicContact CD2-CG2 4.1Å; L1058-V1109 HydrophobicContact CG-CG1 4.28Å; V1061-V1109 HydrophobicContact CB-CG2 3.93Å; V1061-V1109 HydrophobicContact CG1-CG2 4.13Å; V1061-V1109 HydrophobicContact CG2-CG2 3.71Å; F1098-V1109 HydrophobicContact CD2-CG1 4.24Å; F1098-V1109 HydrophobicContact CE2-CB 4.14Å; F1098-V1109 HydrophobicContact CE2-CG1 4.06Å; L1101-V1109 HydrophobicContact CD1-CG2 4.26Å; K1105-V1109 WeakPolarHBondContact O-CG2 3.23Å; K1105-V1109 PolarHBondContact O-N 3.24Å; M1106-V1109 PolarHBondContact O-N 2.91Å; V1109-S1111 VanDerWaalsContact C-N 3.29Å; V1109-S1111 PolarHBondContact O-N 2.83Å |
| 1110 | V | 88.9 | Confident | 80.5 | Confident | 8 Ų | 8 | 64.7 Ų | 64.7 | 5% | 0.048 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -75 | -18.8 | -175.6 | 175 | 0 | 0 | 0 | 0 | 112.6 | F1098 M1106 T1112 L1113 A1125 V1127 V1130 | F1098-V1110 HydrophobicContact CE2-CG2 4.17Å; F1098-V1110 HydrophobicContact CZ-CG2 3.97Å; M1106-V1110 WeakPolarHBondContact O-CB 3.49Å; M1106-V1110 VanDerWaalsContact O-CG2 3.27Å; M1106-V1110 WeakPolarHBondContact O-CG2 3.45Å; M1106-V1110 PolarHBondContact O-N 3.23Å; V1110-T1112 PolarHBondContact O-N 3.29Å; V1110-T1112 VanDerWaalsContact O-N 3.14Å; V1110-L1113 VanDerWaalsContact O-CB 3.25Å; V1110-L1113 WeakPolarHBondContact O-CB 3.49Å; V1110-L1113 PolarHBondContact O-N 2.95Å; V1110-A1125 HydrophobicContact CG1-CB 3.99Å; V1110-A1125 WeakPolarHBondContact CG1-O 2.99Å; V1110-V1127 HydrophobicContact CB-CG2 4.23Å; V1110-V1127 HydrophobicContact CG2-CG2 4.18Å; V1110-V1130 HydrophobicContact CG2-CB 4.29Å; V1110-V1130 HydrophobicContact CG2-CG2 3.89Å |
| 1111 | S | 83.1 | Confident | 79.8 | Confident | 63 Ų | 63 | 67.5 Ų | 67.5 | 44% | 0.441 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 123.5 | 178.1 | 72.5 | 0 | 0 | 0 | 0 | 110.9 | R1057 Q1107 E1108 V1109 L1113 | R1057-S1111 PolarHBondContact NH1-O 3.02Å; Q1107-S1111 PolarHBondContact O-N 3.23Å; E1108-S1111 WeakPolarHBondContact O-CB 3.46Å; E1108-S1111 PolarHBondContact O-N 2.81Å; E1108-S1111 PolarHBondContact O-OG 2.84Å; V1109-S1111 VanDerWaalsContact C-N 3.29Å; V1109-S1111 PolarHBondContact O-N 2.83Å; S1111-L1113 PolarHBondContact O-N 3.29Å |
| 1112 | T | 80.2 | Confident | 79.3 | Confident | 93 Ų | 93 | 74.1 Ų | 74.1 | 57% | 0.571 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 13.4 | -176.9 | 71.7 | 0 | 0 | 0 | 0 | 116.4 | R1057 V1110 | R1057-T1112 PolarHBondContact NH1-OG1 3.12Å; R1057-T1112 VanDerWaalsContact NH1-OG1 3.12Å; R1057-T1112 PolarHBondContact NH2-O 2.94Å; V1110-T1112 PolarHBondContact O-N 3.29Å; V1110-T1112 VanDerWaalsContact O-N 3.14Å |
| 1113 | L | 85.8 | Confident | 79.1 | Confident | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.005 | 42% | 0.424 | C | S | . | . | trans | -74.7 | 128.8 | 170.6 | -176.2 | 67.6 | 0 | 0 | 0 | 109.4 | L1050 D1053 L1054 V1110 S1111 E1124 A1125 V1130 | L1050-L1113 HydrophobicContact CD1-CD1 4.19Å; L1050-L1113 HydrophobicContact CD1-CD2 4.46Å; L1050-L1113 HydrophobicContact CD1-CG 4.42Å; D1053-L1113 HydrophobicContact CB-CD1 4.3Å; D1053-L1113 VanDerWaalsContact OD2-CD1 3.27Å; D1053-L1113 WeakPolarHBondContact OD2-CD1 3.27Å; L1054-L1113 HydrophobicContact CD1-CD2 4.49Å; V1110-L1113 VanDerWaalsContact O-CB 3.25Å; V1110-L1113 WeakPolarHBondContact O-CB 3.49Å; V1110-L1113 PolarHBondContact O-N 2.95Å; S1111-L1113 PolarHBondContact O-N 3.29Å; L1113-E1124 WeakPolarHBondContact O-CA 3.28Å; L1113-A1125 HydrophobicContact CB-CB 4.18Å; L1113-A1125 HydrophobicContact CD2-CB 3.95Å; L1113-A1125 HydrophobicContact CG-CB 4.12Å; L1113-A1125 PolarHBondContact O-N 2.75Å; L1113-V1130 HydrophobicContact CD2-CG2 3.91Å | ||
| 1114 | L | 82.8 | Confident | 79.1 | Confident | 85 Ų | 85 | 76.7 Ų | 76.7 | 45% | 0.445 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 126 | -179.5 | -67.1 | 175.5 | 0 | 0 | 0 | 110.5 | K1122 R1123 E1124 | L1114-K1122 HydrophobicContact CB-CB 4.18Å; L1114-K1122 HydrophobicContact CB-CD 4.35Å; L1114-K1122 HydrophobicContact CD1-CB 4.31Å; L1114-K1122 HydrophobicContact CD1-CD 4.23Å; L1114-K1122 HydrophobicContact CD2-CB 4.47Å; L1114-R1123 CarbonylContact C-O 3.57Å; L1114-R1123 WeakPolarHBondContact CA-O 3.02Å; L1114-E1124 HydrophobicContact CD2-CG 4.19Å |
| 1115 | I | 79.4 | Confident | 78.8 | Confident | 20 Ų | 20 | 73.7 Ų | 73.7 | 10% | 0.103 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 140.7 | 173.7 | -68 | 172.1 | 0 | 0 | 0 | 108.8 | L1050 K1122 R1123 A1125 I1133 | L1050-I1115 HydrophobicContact CD1-CG1 3.7Å; L1050-I1115 HydrophobicContact CD2-CG1 4.31Å; I1115-K1122 WeakPolarHBondContact O-CA 3.24Å; I1115-R1123 PolarHBondContact N-O 2.87Å; I1115-R1123 PolarHBondContact O-N 3.12Å; I1115-A1125 HydrophobicContact CD1-CB 3.3Å; I1115-A1125 HydrophobicContact CG1-CB 3.76Å; I1115-I1133 HydrophobicContact CD1-CD1 4.23Å |
| 1116 | D | 72.1 | Confident | 78.7 | Confident | 91 Ų | 91 | 73.3 Ų | 73.3 | 49% | 0.487 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 123.4 | 168.6 | -167.9 | -21.1 | 0 | 0 | 0 | 108.9 | G1118 G1120 | D1116-G1118 PolarHBondContact O-N 2.88Å; D1116-G1118 PolarHBondContact OD1-N 3.27Å; D1116-G1120 VanDerWaalsContact OD1-CA 3.29Å; D1116-G1120 WeakPolarHBondContact OD1-CA 3.25Å; D1116-G1120 PolarHBondContact OD1-N 3.49Å |
| 1117 | D | 61.2 | Low | 78.6 | Confident | 75 Ų | 75 | 73.5 Ų | 73.5 | 40% | 0.401 | 41% | 0.412 | S | S | . | . | trans | -79.4 | 9 | -179.1 | 66.6 | -0.3 | 0 | 0 | 0 | 113.8 | S1119 M1121 R1123 | D1117-S1119 VanDerWaalsContact CG-OG 3.25Å; D1117-S1119 PolarHBondContact O-N 2.8Å; D1117-S1119 WeakPolarHBondContact OD1-CA 3.33Å; D1117-S1119 VanDerWaalsContact OD1-CB 3.22Å; D1117-S1119 WeakPolarHBondContact OD1-CB 3.19Å; D1117-S1119 PolarHBondContact OD1-N 2.72Å; D1117-S1119 PolarHBondContact OD1-OG 3.27Å; D1117-S1119 PolarHBondContact OD2-OG 2.9Å; D1117-M1121 PolarHBondContact N-O 2.8Å; D1117-R1123 HydrophobicContact CB-CG 4.33Å | ||
| 1118 | G | 60.1 | Low | 78.3 | Confident | 76 Ų | 76 | 71.7 Ų | 71.7 | 78% | 0.784 | 41% | 0.407 | S | S | * | . | S | Bend | trans | 81.2 | -2.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1116 | D1116-G1118 PolarHBondContact O-N 2.88Å; D1116-G1118 PolarHBondContact OD1-N 3.27Å |
| 1119 | S | 56.3 | Low | 78 | Confident | 84 Ų | 84 | 68.8 Ų | 68.8 | 59% | 0.587 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -95.3 | -2.3 | 169.3 | 81.6 | 0 | 0 | 0 | 0 | 112.9 | D1117 M1121 | D1117-S1119 VanDerWaalsContact CG-OG 3.25Å; D1117-S1119 PolarHBondContact O-N 2.8Å; D1117-S1119 WeakPolarHBondContact OD1-CA 3.33Å; D1117-S1119 VanDerWaalsContact OD1-CB 3.22Å; D1117-S1119 WeakPolarHBondContact OD1-CB 3.19Å; D1117-S1119 PolarHBondContact OD1-N 2.72Å; D1117-S1119 PolarHBondContact OD1-OG 3.27Å; D1117-S1119 PolarHBondContact OD2-OG 2.9Å; S1119-M1121 VanDerWaalsContact C-N 3.3Å |
| 1120 | G | 63.2 | Low | 78 | Confident | 57 Ų | 57 | 68.8 Ų | 68.8 | 59% | 0.588 | 39% | 0.394 | S | S | * | . | S | Bend | trans | 81.7 | 6.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1116 | D1116-G1120 VanDerWaalsContact OD1-CA 3.29Å; D1116-G1120 WeakPolarHBondContact OD1-CA 3.25Å; D1116-G1120 PolarHBondContact OD1-N 3.49Å |
| 1121 | M | 68.6 | Low | 77.8 | Confident | 139 Ų | 139 | 70 Ų | 70 | 69% | 0.685 | 40% | 0.399 | S | S | * | . | trans | -98.3 | 133.4 | 173.1 | -73.4 | -160.5 | 176.5 | 0 | 0 | 110.8 | D1117 S1119 | D1117-M1121 PolarHBondContact N-O 2.8Å; S1119-M1121 VanDerWaalsContact C-N 3.3Å | ||
| 1122 | K | 75.8 | Confident | 77.9 | Confident | 162 Ų | 162 | 73 Ų | 73 | 70% | 0.704 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 119.6 | 176.7 | -70.1 | -171.6 | 179.7 | -171.9 | 0 | 110 | L1114 I1115 | L1114-K1122 HydrophobicContact CB-CB 4.18Å; L1114-K1122 HydrophobicContact CB-CD 4.35Å; L1114-K1122 HydrophobicContact CD1-CB 4.31Å; L1114-K1122 HydrophobicContact CD1-CD 4.23Å; L1114-K1122 HydrophobicContact CD2-CB 4.47Å; I1115-K1122 WeakPolarHBondContact O-CA 3.24Å |
| 1123 | R | 82.6 | Confident | 78.2 | Confident | 110 Ų | 110 | 69.7 Ų | 69.7 | 42% | 0.415 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 157.2 | 173.2 | 67.7 | 179.3 | 178.7 | 118.3 | 1.2 | 111.2 | L1114 I1115 D1117 A1125 E1129 | L1114-R1123 CarbonylContact C-O 3.57Å; L1114-R1123 WeakPolarHBondContact CA-O 3.02Å; I1115-R1123 PolarHBondContact N-O 2.87Å; I1115-R1123 PolarHBondContact O-N 3.12Å; D1117-R1123 HydrophobicContact CB-CG 4.33Å; R1123-A1125 PolarHBondContact O-N 2.66Å; R1123-E1129 IonicContact CZ-OE1 3.47Å; R1123-E1129 IonicContact NH1-OE1 3.12Å; R1123-E1129 PolarHBondContact NH1-OE1 3.09Å; R1123-E1129 IonicContact NH1-OE2 2.84Å; R1123-E1129 IonicContact NH2-OE1 2.78Å; R1123-E1129 PolarHBondContact NH2-OE1 3.39Å; R1123-E1129 IonicContact NH2-OE2 3.9Å |
| 1124 | E | 83.1 | Confident | 78.3 | Confident | 139 Ų | 139 | 69.7 Ų | 69.7 | 65% | 0.65 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 131.8 | 173.2 | -68.1 | -174 | 167.6 | 0 | 0 | 110.4 | L1113 L1114 | L1113-E1124 WeakPolarHBondContact O-CA 3.28Å; L1114-E1124 HydrophobicContact CD2-CG 4.19Å |
| 1125 | A | 82.6 | Confident | 78.3 | Confident | 10 Ų | 10 | 67.3 Ų | 67.3 | 8% | 0.083 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 147.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1110 L1113 I1115 R1123 V1130 | V1110-A1125 HydrophobicContact CG1-CB 3.99Å; V1110-A1125 WeakPolarHBondContact CG1-O 2.99Å; L1113-A1125 HydrophobicContact CB-CB 4.18Å; L1113-A1125 HydrophobicContact CD2-CB 3.95Å; L1113-A1125 HydrophobicContact CG-CB 4.12Å; L1113-A1125 PolarHBondContact O-N 2.75Å; I1115-A1125 HydrophobicContact CD1-CB 3.3Å; I1115-A1125 HydrophobicContact CG1-CB 3.76Å; R1123-A1125 PolarHBondContact O-N 2.66Å; A1125-V1130 HydrophobicContact CB-CG2 4.25Å |
| 1126 | T | 87.4 | Confident | 78.4 | Confident | 68 Ų | 68 | 69.4 Ų | 69.4 | 42% | 0.417 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -98.7 | 157.5 | 167.8 | 62.2 | 0 | 0 | 0 | 0 | 111.2 | D1128 E1129 V1130 | T1126-D1128 VanDerWaalsContact C-N 3.27Å; T1126-D1128 PolarHBondContact O-N 3.44Å; T1126-E1129 PolarHBondContact N-OE2 3.38Å; T1126-E1129 PolarHBondContact O-N 3.19Å; T1126-E1129 WeakPolarHBondContact OG1-CG 3.48Å; T1126-E1129 PolarHBondContact OG1-N 2.87Å; T1126-E1129 PolarHBondContact OG1-OE2 3.31Å; T1126-V1130 PolarHBondContact O-N 3.13Å |
| 1127 | V | 87 | Confident | 79.1 | Confident | 16 Ų | 16 | 65 Ų | 65 | 10% | 0.097 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.1 | -42.8 | 177.3 | 173 | 0 | 0 | 0 | 0 | 111.1 | M1106 Q1107 V1110 E1129 V1130 I1131 | M1106-V1127 HydrophobicContact CB-CG1 3.76Å; M1106-V1127 HydrophobicContact CB-CG2 4.29Å; M1106-V1127 HydrophobicContact CG-CG1 4.46Å; M1106-V1127 HydrophobicContact SD-CG1 3.95Å; Q1107-V1127 HydrophobicContact CB-CG2 4.11Å; Q1107-V1127 HydrophobicContact CG-CG2 4.19Å; V1110-V1127 HydrophobicContact CB-CG2 4.23Å; V1110-V1127 HydrophobicContact CG2-CG2 4.18Å; V1127-E1129 VanDerWaalsContact C-N 3.3Å; V1127-E1129 PolarHBondContact O-N 3.31Å; V1127-V1130 PolarHBondContact O-N 3.48Å; V1127-I1131 HydrophobicContact CG1-CD1 3.81Å; V1127-I1131 HydrophobicContact CG1-CG1 4.29Å; V1127-I1131 VanDerWaalsContact O-CG1 3.31Å; V1127-I1131 WeakPolarHBondContact O-CG1 3.24Å; V1127-I1131 PolarHBondContact O-N 3.19Å |
| 1128 | D | 83.6 | Confident | 80.2 | Confident | 93 Ų | 93 | 63.2 Ų | 63.2 | 50% | 0.497 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.5 | -29.4 | -176.9 | -56.6 | -30.6 | 0 | 0 | 0 | 112 | R1103 T1126 K1132 | R1103-D1128 IonicContact NH2-OD1 3.02Å; R1103-D1128 PolarHBondContact NH2-OD1 2.84Å; R1103-D1128 VanDerWaalsContact NH2-OD1 3.11Å; R1103-D1128 IonicContact NH2-OD2 3Å; T1126-D1128 VanDerWaalsContact C-N 3.27Å; T1126-D1128 PolarHBondContact O-N 3.44Å; D1128-K1132 PolarHBondContact O-N 3.24Å; D1128-K1132 VanDerWaalsContact O-N 3.1Å |
| 1129 | E | 85.6 | Confident | 81.2 | Confident | 52 Ų | 52 | 65 Ų | 65 | 24% | 0.243 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.8 | -43.9 | 172.4 | -75.8 | 166.1 | 161.1 | 0 | 0 | 112 | R1123 T1126 V1127 K1132 I1133 | R1123-E1129 IonicContact CZ-OE1 3.47Å; R1123-E1129 IonicContact NH1-OE1 3.12Å; R1123-E1129 PolarHBondContact NH1-OE1 3.09Å; R1123-E1129 IonicContact NH1-OE2 2.84Å; R1123-E1129 IonicContact NH2-OE1 2.78Å; R1123-E1129 PolarHBondContact NH2-OE1 3.39Å; R1123-E1129 IonicContact NH2-OE2 3.9Å; T1126-E1129 PolarHBondContact N-OE2 3.38Å; T1126-E1129 PolarHBondContact O-N 3.19Å; T1126-E1129 WeakPolarHBondContact OG1-CG 3.48Å; T1126-E1129 PolarHBondContact OG1-N 2.87Å; T1126-E1129 PolarHBondContact OG1-OE2 3.31Å; V1127-E1129 VanDerWaalsContact C-N 3.3Å; V1127-E1129 PolarHBondContact O-N 3.31Å; E1129-K1132 PolarHBondContact O-N 3.43Å; E1129-I1133 WeakPolarHBondContact O-CG1 2.94Å; E1129-I1133 PolarHBondContact O-N 2.76Å |
| 1130 | V | 88.2 | Confident | 82.5 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.4 | -37.9 | 176.9 | -178.5 | 0 | 0 | 0 | 0 | 111 | L1054 F1098 V1110 L1113 A1125 T1126 V1127 K1132 I1133 V1134 | L1054-V1130 HydrophobicContact CD1-CG1 4.28Å; L1054-V1130 HydrophobicContact CD2-CG1 3.96Å; F1098-V1130 HydrophobicContact CD1-CG1 3.94Å; F1098-V1130 HydrophobicContact CE1-CB 3.91Å; F1098-V1130 HydrophobicContact CE1-CG1 3.51Å; F1098-V1130 HydrophobicContact CE2-CG1 4.34Å; F1098-V1130 HydrophobicContact CZ-CB 4.02Å; F1098-V1130 HydrophobicContact CZ-CG1 3.74Å; V1110-V1130 HydrophobicContact CG2-CB 4.29Å; V1110-V1130 HydrophobicContact CG2-CG2 3.89Å; L1113-V1130 HydrophobicContact CD2-CG2 3.91Å; A1125-V1130 HydrophobicContact CB-CG2 4.25Å; T1126-V1130 PolarHBondContact O-N 3.13Å; V1127-V1130 PolarHBondContact O-N 3.48Å; V1130-K1132 VanDerWaalsContact C-N 3.31Å; V1130-K1132 PolarHBondContact O-N 2.99Å; V1130-I1133 PolarHBondContact O-N 3.22Å; V1130-V1134 HydrophobicContact CG1-CG2 4.23Å; V1130-V1134 WeakPolarHBondContact O-CG2 3.38Å; V1130-V1134 PolarHBondContact O-N 3.19Å |
| 1131 | I | 86.2 | Confident | 83.4 | Confident | 33 Ų | 33 | 60 Ų | 60 | 17% | 0.169 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.9 | -49 | 172.2 | -71.4 | 170.8 | 0 | 0 | 0 | 109.9 | F1098 L1099 M1106 V1127 I1133 V1134 E1135 | F1098-I1131 HydrophobicContact CE1-CG1 3.9Å; L1099-I1131 HydrophobicContact CD2-CB 4.33Å; L1099-I1131 HydrophobicContact CD2-CG1 4.24Å; L1099-I1131 HydrophobicContact CD2-CG2 4Å; M1106-I1131 HydrophobicContact SD-CD1 4.14Å; V1127-I1131 HydrophobicContact CG1-CD1 3.81Å; V1127-I1131 HydrophobicContact CG1-CG1 4.29Å; V1127-I1131 VanDerWaalsContact O-CG1 3.31Å; V1127-I1131 WeakPolarHBondContact O-CG1 3.24Å; V1127-I1131 PolarHBondContact O-N 3.19Å; I1131-I1133 VanDerWaalsContact C-N 3.33Å; I1131-I1133 PolarHBondContact O-N 3.45Å; I1131-V1134 PolarHBondContact O-N 3.45Å; I1131-E1135 HydrophobicContact CG2-CG 4.18Å; I1131-E1135 WeakPolarHBondContact CG2-OE1 3.32Å; I1131-E1135 WeakPolarHBondContact O-CB 3.43Å; I1131-E1135 WeakPolarHBondContact O-CG 3.29Å; I1131-E1135 PolarHBondContact O-N 3.22Å |
| 1132 | K | 83.4 | Confident | 84.1 | Confident | 126 Ų | 126 | 56.1 Ų | 56.1 | 55% | 0.548 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 179.2 | -174.9 | -179.4 | 174.4 | -173.6 | 0 | 112.3 | D1128 E1129 V1130 E1135 E1136 | D1128-K1132 PolarHBondContact O-N 3.24Å; D1128-K1132 VanDerWaalsContact O-N 3.1Å; E1129-K1132 PolarHBondContact O-N 3.43Å; V1130-K1132 VanDerWaalsContact C-N 3.31Å; V1130-K1132 PolarHBondContact O-N 2.99Å; K1132-E1135 PolarHBondContact O-N 3.24Å; K1132-E1136 WeakPolarHBondContact CE-OE1 3.43Å; K1132-E1136 WeakPolarHBondContact O-CG 3.3Å; K1132-E1136 PolarHBondContact O-N 2.83Å |
| 1133 | I | 87.4 | Confident | 84.6 | Confident | 24 Ų | 24 | 50.5 Ų | 50.5 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.4 | -50.1 | 176.9 | -71.3 | 173.6 | 0 | 0 | 0 | 111 | W1047 L1050 I1115 E1129 V1130 I1131 E1136 L1137 | W1047-I1133 HydrophobicContact CH2-CB 4.45Å; W1047-I1133 HydrophobicContact CH2-CD1 4.14Å; W1047-I1133 HydrophobicContact CH2-CG1 3.95Å; W1047-I1133 HydrophobicContact CH2-CG2 3.83Å; W1047-I1133 HydrophobicContact CZ3-CB 4.46Å; W1047-I1133 HydrophobicContact CZ3-CD1 4.16Å; W1047-I1133 HydrophobicContact CZ3-CG1 4.25Å; W1047-I1133 HydrophobicContact CZ3-CG2 3.46Å; W1047-I1133 VanDerWaalsContact CZ3-CG2 3.46Å; L1050-I1133 HydrophobicContact CD2-CD1 4.2Å; I1115-I1133 HydrophobicContact CD1-CD1 4.23Å; E1129-I1133 WeakPolarHBondContact O-CG1 2.94Å; E1129-I1133 PolarHBondContact O-N 2.76Å; V1130-I1133 PolarHBondContact O-N 3.22Å; I1131-I1133 VanDerWaalsContact C-N 3.33Å; I1131-I1133 PolarHBondContact O-N 3.45Å; I1133-E1136 PolarHBondContact O-N 3.47Å; I1133-L1137 HydrophobicContact CG2-CD1 4.33Å; I1133-L1137 WeakPolarHBondContact O-CG 3.38Å; I1133-L1137 PolarHBondContact O-N 2.92Å |
| 1134 | V | 88.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.6 | -37.9 | -177.5 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | I1095 E1096 F1098 L1099 V1130 I1131 E1136 L1137 T1138 | I1095-V1134 HydrophobicContact CG2-CG1 4.33Å; I1095-V1134 HydrophobicContact CG2-CG2 3.88Å; E1096-V1134 HydrophobicContact CG-CG1 4.37Å; F1098-V1134 HydrophobicContact CD1-CG2 4.21Å; L1099-V1134 HydrophobicContact CD1-CB 4.45Å; L1099-V1134 HydrophobicContact CD1-CG1 3.82Å; L1099-V1134 HydrophobicContact CD2-CB 4.2Å; L1099-V1134 HydrophobicContact CD2-CG1 4.24Å; L1099-V1134 HydrophobicContact CG-CB 4.24Å; L1099-V1134 HydrophobicContact CG-CG1 3.72Å; V1130-V1134 HydrophobicContact CG1-CG2 4.23Å; V1130-V1134 WeakPolarHBondContact O-CG2 3.38Å; V1130-V1134 PolarHBondContact O-N 3.19Å; I1131-V1134 PolarHBondContact O-N 3.45Å; V1134-E1136 VanDerWaalsContact C-N 3.34Å; V1134-E1136 PolarHBondContact O-N 3.41Å; V1134-L1137 PolarHBondContact O-N 3.42Å; V1134-T1138 HydrophobicContact CG1-CG2 4.37Å; V1134-T1138 VanDerWaalsContact O-CG2 3.27Å; V1134-T1138 WeakPolarHBondContact O-CG2 3.37Å; V1134-T1138 PolarHBondContact O-N 2.67Å |
| 1135 | E | 81.9 | Confident | 84.8 | Confident | 35 Ų | 35 | 41.8 Ų | 41.8 | 16% | 0.164 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60 | -41.3 | 172.5 | -77.3 | -177.8 | 179.8 | 0 | 0 | 112.3 | L1099 I1131 K1132 L1137 T1138 R1139 | L1099-E1135 HydrophobicContact CD1-CG 4.27Å; L1099-E1135 HydrophobicContact CD2-CG 4.44Å; I1131-E1135 HydrophobicContact CG2-CG 4.18Å; I1131-E1135 WeakPolarHBondContact CG2-OE1 3.32Å; I1131-E1135 WeakPolarHBondContact O-CB 3.43Å; I1131-E1135 WeakPolarHBondContact O-CG 3.29Å; I1131-E1135 PolarHBondContact O-N 3.22Å; K1132-E1135 PolarHBondContact O-N 3.24Å; E1135-L1137 VanDerWaalsContact C-N 3.33Å; E1135-L1137 PolarHBondContact O-N 3.18Å; E1135-T1138 WeakPolarHBondContact CA-OG1 3.41Å; E1135-T1138 PolarHBondContact O-N 2.88Å; E1135-T1138 PolarHBondContact O-OG1 2.8Å; E1135-R1139 WeakPolarHBondContact O-CG 3.5Å; E1135-R1139 PolarHBondContact O-N 3.26Å |
| 1136 | E | 81.4 | Confident | 84.9 | Confident | 64 Ų | 64 | 43.8 Ų | 43.8 | 30% | 0.299 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.7 | -38.7 | 174.8 | -75.8 | 173.8 | -171.1 | 0 | 0 | 111.9 | P1023 K1132 I1133 V1134 R1139 | P1023-E1136 HydrophobicContact CG-CB 4.32Å; K1132-E1136 WeakPolarHBondContact CE-OE1 3.43Å; K1132-E1136 WeakPolarHBondContact O-CG 3.3Å; K1132-E1136 PolarHBondContact O-N 2.83Å; I1133-E1136 PolarHBondContact O-N 3.47Å; V1134-E1136 VanDerWaalsContact C-N 3.34Å; V1134-E1136 PolarHBondContact O-N 3.41Å; E1136-R1139 PolarHBondContact O-N 3.41Å |
| 1137 | L | 86.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.7 | -40.2 | 174.6 | -68.4 | 172.4 | 0 | 0 | 0 | 112.2 | Y5 P1023 T1024 L1051 I1095 I1133 V1134 E1135 R1139 I1140 | Y5-L1137 HydrophobicContact CE2-CD1 4.3Å; P1023-L1137 HydrophobicContact CB-CD2 4.43Å; P1023-L1137 HydrophobicContact CG-CD2 4.28Å; T1024-L1137 HydrophobicContact CG2-CD2 3.75Å; L1051-L1137 HydrophobicContact CD1-CD1 4.19Å; L1051-L1137 HydrophobicContact CD2-CD1 4.05Å; I1095-L1137 HydrophobicContact CG2-CD1 4.33Å; I1133-L1137 HydrophobicContact CG2-CD1 4.33Å; I1133-L1137 WeakPolarHBondContact O-CG 3.38Å; I1133-L1137 PolarHBondContact O-N 2.92Å; V1134-L1137 PolarHBondContact O-N 3.42Å; E1135-L1137 VanDerWaalsContact C-N 3.33Å; E1135-L1137 PolarHBondContact O-N 3.18Å; L1137-R1139 PolarHBondContact O-N 2.85Å; L1137-R1139 VanDerWaalsContact O-N 3.08Å; L1137-I1140 WeakPolarHBondContact O-CG1 3.11Å; L1137-I1140 PolarHBondContact O-N 3.45Å; L1137-I1140 VanDerWaalsContact O-N 3.15Å |
| 1138 | T | 83.7 | Confident | 84.6 | Confident | 37 Ų | 37 | 44 Ų | 44 | 23% | 0.227 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -18.7 | 178.6 | 60.9 | 0 | 0 | 0 | 0 | 113.5 | E1096 L1099 V1134 E1135 I1140 | E1096-T1138 HydrophobicContact CB-CG2 4.34Å; E1096-T1138 VanDerWaalsContact CD-CG2 3.5Å; E1096-T1138 HydrophobicContact CG-CG2 3.64Å; L1099-T1138 HydrophobicContact CD1-CG2 4.01Å; V1134-T1138 HydrophobicContact CG1-CG2 4.37Å; V1134-T1138 VanDerWaalsContact O-CG2 3.27Å; V1134-T1138 WeakPolarHBondContact O-CG2 3.37Å; V1134-T1138 PolarHBondContact O-N 2.67Å; E1135-T1138 WeakPolarHBondContact CA-OG1 3.41Å; E1135-T1138 PolarHBondContact O-N 2.88Å; E1135-T1138 PolarHBondContact O-OG1 2.8Å; T1138-I1140 VanDerWaalsContact C-N 3.33Å |
| 1139 | R | 81.3 | Confident | 84.7 | Confident | 114 Ų | 114 | 40.2 Ų | 40.2 | 43% | 0.43 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -7.2 | 179.9 | -71 | 172.7 | -172.5 | -176.1 | 2.3 | 113.8 | V1013 E1135 E1136 L1137 H1141 | V1013-R1139 WeakPolarHBondContact CG1-O 3.33Å; V1013-R1139 WeakPolarHBondContact CG2-O 2.87Å; E1135-R1139 WeakPolarHBondContact O-CG 3.5Å; E1135-R1139 PolarHBondContact O-N 3.26Å; E1136-R1139 PolarHBondContact O-N 3.41Å; L1137-R1139 PolarHBondContact O-N 2.85Å; L1137-R1139 VanDerWaalsContact O-N 3.08Å; R1139-H1141 VanDerWaalsContact C-N 3.3Å |
| 1140 | I | 83.7 | Confident | 84.6 | Confident | 23 Ų | 23 | 39.3 Ų | 39.3 | 12% | 0.118 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -11.2 | -177.5 | 75.5 | -171.5 | 0 | 0 | 0 | 113.3 | Y5 L1039 T1041 L1137 T1138 | Y5-I1140 HydrophobicContact CD1-CD1 4.07Å; Y5-I1140 HydrophobicContact CE1-CD1 3.92Å; L1039-I1140 HydrophobicContact CD2-CB 4.38Å; L1039-I1140 HydrophobicContact CD2-CD1 3.98Å; L1039-I1140 HydrophobicContact CD2-CG1 3.66Å; T1041-I1140 HydrophobicContact CG2-CD1 4.05Å; L1137-I1140 WeakPolarHBondContact O-CG1 3.11Å; L1137-I1140 PolarHBondContact O-N 3.45Å; L1137-I1140 VanDerWaalsContact O-N 3.15Å; T1138-I1140 VanDerWaalsContact C-N 3.33Å |
| 1141 | H | 82.6 | Confident | 84.3 | Confident | 12 Ų | 12 | 42.5 Ų | 42.5 | 6% | 0.056 | 19% | 0.194 | C | C | . | . | trans | -140.3 | 0 | -171.8 | 73.9 | -86.1 | 0 | 0 | 0 | 114.8 | V7 A9 K709 L1039 E1096 R1139 | V7-H1141 HydrophobicContact CG1-CB 4.3Å; A9-H1141 HydrophobicContact CB-CB 4.18Å; K709-H1141 PolarHBondContact NZ-CD2 3.38Å; K709-H1141 PolarHBondContact NZ-NE2 3.35Å; K709-H1141 PolarHBondContact NZ-O 3.22Å; L1039-H1141 HydrophobicContact CD2-CB 3.87Å; E1096-H1141 IonicContact OE1-CE1 3.64Å; E1096-H1141 PolarHBondContact OE1-CE1 3.39Å; E1096-H1141 IonicContact OE1-ND1 2.87Å; E1096-H1141 IonicContact OE2-CE1 3.7Å; E1096-H1141 IonicContact OE2-NE2 3.96Å; R1139-H1141 VanDerWaalsContact C-N 3.3Å |
Retrieved 1,141 of 1,141 residues in 1938.3 ms
(Link to these results)