| 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 | 74.4 | Confident | 91.4 | Very high | 123 Ų | 123 | 30.2 Ų | 30.2 | 61% | 0.606 | 15% | 0.146 | S | C | * | . | 0 | 139.9 | 0 | -159.4 | 176 | -140.9 | 0 | 0 | 107.6 | Y3 | M1-Y3 HydrophobicContact CB-CE1 4.39Å; M1-Y3 HydrophobicContact CG-CE1 4.17Å; M1-Y3 HydrophobicContact SD-CE1 3.83Å | |||
| 2 | S | 85.9 | Confident | 91.8 | Very high | 5 Ų | 5 | 28.1 Ų | 28.1 | 4% | 0.035 | 14% | 0.137 | C | C | . | . | trans | -106.6 | 137.4 | 175.9 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | N4 N964 G1087 | S2-N4 WeakPolarHBondContact CB-ND2 3.5Å; S2-N4 PolarHBondContact OG-ND2 2.96Å; S2-N4 PolarHBondContact OG-OD1 2.74Å; S2-N964 WeakPolarHBondContact CB-OD1 3.48Å; S2-N964 PolarHBondContact OG-OD1 3.28Å; S2-G1087 WeakPolarHBondContact O-CA 3.35Å | ||
| 3 | Y | 94.6 | Very high | 92.2 | Very high | 51 Ų | 51 | 26.7 Ų | 26.7 | 20% | 0.2 | 13% | 0.131 | C | C | . | . | trans | -113.1 | 99 | -176 | -57.7 | -62.3 | 0 | 0 | 0 | 109.1 | M1 S1042 L1043 E1045 Y1048 | M1-Y3 HydrophobicContact CB-CE1 4.39Å; M1-Y3 HydrophobicContact CG-CE1 4.17Å; M1-Y3 HydrophobicContact SD-CE1 3.83Å; Y3-S1042 CarbonylContact O-C 3.47Å; Y3-S1042 WeakPolarHBondContact O-CA 3.12Å; Y3-L1043 WeakPolarHBondContact CB-O 3.34Å; Y3-L1043 PolarHBondContact O-N 3.32Å; Y3-E1045 HydrophobicContact CD2-CB 4.09Å; Y3-E1045 HydrophobicContact CE1-CG 4.25Å; Y3-E1045 HydrophobicContact CE2-CB 3.6Å; Y3-E1045 HydrophobicContact CE2-CG 3.95Å; Y3-E1045 PolarHBondContact OH-OE1 3.36Å; 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 3.86Å; Y3-Y1048 HydrophobicContact CD1-CD2 3.86Å; Y3-Y1048 AromaticContact CD1-CE1 3.87Å; Y3-Y1048 HydrophobicContact CD1-CE1 3.87Å; Y3-Y1048 HydrophobicContact CD1-CE2 4.27Å; Y3-Y1048 AromaticContact CD1-CG 3.42Å; Y3-Y1048 HydrophobicContact CD1-CG 3.42Å; Y3-Y1048 VanDerWaalsContact CD1-CG 3.42Å; Y3-Y1048 AromaticContact CE1-CD1 3.93Å; Y3-Y1048 HydrophobicContact CE1-CD1 3.93Å; Y3-Y1048 HydrophobicContact CE1-CE1 4.29Å; Y3-Y1048 HydrophobicContact CE1-CG 4.34Å; Y3-Y1048 HydrophobicContact CG-CD1 4.38Å; Y3-Y1048 HydrophobicContact CG-CD2 4.25Å; Y3-Y1048 AromaticContact CG-CG 3.96Å; Y3-Y1048 HydrophobicContact CG-CG 3.96Å | ||
| 4 | N | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 151.2 | -172.2 | -53.1 | -76.9 | 0 | 0 | 0 | 111.4 | S2 V1040 T1041 G1087 F1088 I1089 | S2-N4 WeakPolarHBondContact CB-ND2 3.5Å; S2-N4 PolarHBondContact OG-ND2 2.96Å; S2-N4 PolarHBondContact OG-OD1 2.74Å; N4-V1040 HydrophobicContact CB-CG1 4.39Å; N4-T1041 CarbonylContact C-O 3.57Å; N4-T1041 WeakPolarHBondContact CA-O 3.46Å; N4-G1087 WeakPolarHBondContact CB-O 3.47Å; N4-G1087 PolarHBondContact N-O 2.66Å; N4-G1087 PolarHBondContact ND2-O 3.19Å; N4-F1088 HydrophobicContact CB-CD1 3.6Å; N4-F1088 HydrophobicContact CB-CE1 3.73Å; N4-F1088 HydrophobicContact CB-CG 4.26Å; N4-F1088 HydrophobicContact CB-CZ 4.49Å; N4-F1088 CarbonylContact O-C 3.43Å; N4-F1088 WeakPolarHBondContact O-CA 3.19Å; N4-I1089 PolarHBondContact O-N 3.38Å |
| 5 | Y | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 128.5 | 170.4 | -176.9 | -99.4 | 0 | 0 | 0 | 108 | V7 V1040 T1041 L1043 L1051 I1089 G1091 I1094 L1136 I1139 | Y5-V7 HydrophobicContact CD1-CB 4.28Å; Y5-V7 HydrophobicContact CD1-CG1 4.19Å; Y5-V7 HydrophobicContact CE1-CB 3.6Å; Y5-V7 HydrophobicContact CE1-CG1 3.68Å; Y5-V7 HydrophobicContact CE1-CG2 4.27Å; Y5-V1040 WeakPolarHBondContact O-CA 3.41Å; Y5-T1041 HydrophobicContact CD1-CG2 4.09Å; Y5-T1041 HydrophobicContact CG-CG2 4.46Å; Y5-T1041 PolarHBondContact N-O 2.9Å; Y5-T1041 PolarHBondContact O-N 3.46Å; Y5-L1043 HydrophobicContact CD2-CD1 4.4Å; Y5-L1051 HydrophobicContact CD2-CD1 4.22Å; Y5-L1051 HydrophobicContact CE2-CD1 4.45Å; Y5-I1089 HydrophobicContact CD2-CB 3.89Å; Y5-I1089 HydrophobicContact CD2-CG2 3.72Å; Y5-I1089 HydrophobicContact CE2-CG2 3.99Å; Y5-G1091 VanDerWaalsContact CE2-CA 3.42Å; Y5-G1091 WeakPolarHBondContact OH-CA 3.44Å; Y5-I1094 HydrophobicContact CE2-CB 4.5Å; Y5-I1094 HydrophobicContact CE2-CG1 4.34Å; Y5-L1136 HydrophobicContact CE2-CD1 4.23Å; Y5-I1139 HydrophobicContact CD1-CD1 4Å; Y5-I1139 HydrophobicContact CE1-CD1 3.9Å |
| 6 | V | 96.6 | Very high | 93 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.024 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 129 | 178 | 57.9 | 0 | 0 | 0 | 0 | 109.6 | L974 F998 L1000 F1030 L1039 V1040 F1088 I1089 G1091 | V6-L974 HydrophobicContact CG2-CD1 4.11Å; V6-F998 HydrophobicContact CG1-CD1 4.08Å; V6-F998 HydrophobicContact CG1-CE1 3.61Å; V6-F998 HydrophobicContact CG1-CE2 4.13Å; V6-F998 HydrophobicContact CG1-CZ 3.62Å; V6-L1000 HydrophobicContact CG2-CD1 4.26Å; V6-F1030 HydrophobicContact CG2-CE1 3.97Å; V6-F1030 HydrophobicContact CG2-CZ 4.01Å; V6-L1039 VanDerWaalsContact CA-O 3.31Å; V6-L1039 WeakPolarHBondContact CA-O 3.41Å; V6-V1040 HydrophobicContact CB-CG2 4.41Å; V6-V1040 HydrophobicContact CG2-CG2 4.19Å; V6-F1088 HydrophobicContact CB-CD1 4.2Å; V6-F1088 HydrophobicContact CG1-CB 4.41Å; V6-F1088 HydrophobicContact CG1-CD1 4.05Å; V6-I1089 WeakPolarHBondContact CG1-O 3.42Å; V6-I1089 PolarHBondContact N-O 3.33Å; V6-G1091 VanDerWaalsContact O-CA 3.31Å; V6-G1091 WeakPolarHBondContact O-CA 3.42Å; V6-G1091 PolarHBondContact O-N 3.06Å |
| 7 | V | 94.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 153.1 | -176.6 | 67.5 | 0 | 0 | 0 | 0 | 111.9 | Y5 G1038 L1039 H1140 | Y5-V7 HydrophobicContact CD1-CB 4.28Å; Y5-V7 HydrophobicContact CD1-CG1 4.19Å; Y5-V7 HydrophobicContact CE1-CB 3.6Å; Y5-V7 HydrophobicContact CE1-CG1 3.68Å; Y5-V7 HydrophobicContact CE1-CG2 4.27Å; V7-G1038 CarbonylContact O-C 3.58Å; V7-G1038 WeakPolarHBondContact O-CA 3.35Å; V7-L1039 HydrophobicContact CG1-CB 4.03Å; V7-L1039 HydrophobicContact CG1-CD2 4.23Å; V7-L1039 PolarHBondContact N-O 2.93Å; V7-L1039 PolarHBondContact O-N 2.91Å; V7-H1140 VanDerWaalsContact CG1-CD2 3.48Å; V7-H1140 WeakPolarHBondContact CG1-CD2 3.31Å; V7-H1140 WeakPolarHBondContact CG2-NE2 3.11Å |
| 8 | T | 93 | Very high | 93.5 | Very high | 14 Ų | 14 | 23.2 Ų | 23.2 | 9% | 0.086 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 117.8 | 176.6 | -52.4 | 0 | 0 | 0 | 0 | 111.5 | Q10 K11 M1036 D1092 H1140 | T8-Q10 VanDerWaalsContact CG2-C 3.46Å; T8-Q10 VanDerWaalsContact CG2-O 3.26Å; T8-Q10 WeakPolarHBondContact CG2-O 3.42Å; T8-K11 HydrophobicContact CG2-CG 4.25Å; T8-M1036 HydrophobicContact CG2-CE 3.57Å; T8-M1036 HydrophobicContact CG2-CG 4.01Å; T8-M1036 WeakPolarHBondContact OG1-CE 3.48Å; T8-D1092 WeakPolarHBondContact CB-OD1 3.25Å; T8-D1092 PolarHBondContact N-OD1 3.2Å; T8-D1092 PolarHBondContact OG1-OD1 2.56Å; T8-D1092 PolarHBondContact OG1-OD2 3.34Å; T8-H1140 PolarHBondContact O-CE1 3.11Å; T8-H1140 VanDerWaalsContact O-CE1 3.28Å; T8-H1140 PolarHBondContact O-ND1 2.92Å |
| 9 | A | 89.8 | Confident | 93.7 | Very high | 14 Ų | 14 | 22.9 Ų | 22.9 | 12% | 0.116 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -47.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1012 I1037 H1140 | A9-L1012 HydrophobicContact CB-CD1 4.4Å; A9-I1037 HydrophobicContact CB-CG2 4.22Å; A9-I1037 PolarHBondContact N-O 3.49Å; A9-H1140 WeakPolarHBondContact CA-ND1 3.5Å; A9-H1140 HydrophobicContact CB-CB 3.89Å |
| 10 | Q | 91.8 | Very high | 93.8 | Very high | 39 Ų | 39 | 23.9 Ų | 23.9 | 18% | 0.182 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 126.5 | 172.8 | -178.3 | 58.8 | 14.3 | 0 | 0 | 109.4 | T8 T13 L356 L710 M1036 I1037 | T8-Q10 VanDerWaalsContact CG2-C 3.46Å; T8-Q10 VanDerWaalsContact CG2-O 3.26Å; T8-Q10 WeakPolarHBondContact CG2-O 3.42Å; Q10-T13 HydrophobicContact CG-CG2 4.44Å; Q10-L356 HydrophobicContact CG-CD1 3.8Å; Q10-L710 HydrophobicContact CB-CD1 3.96Å; Q10-M1036 WeakPolarHBondContact O-CA 3.37Å; Q10-M1036 WeakPolarHBondContact O-CG 3.33Å; Q10-I1037 HydrophobicContact CB-CB 3.92Å; Q10-I1037 HydrophobicContact CB-CD1 4.1Å; Q10-I1037 HydrophobicContact CB-CG1 4.25Å; Q10-I1037 PolarHBondContact N-O 2.7Å; Q10-I1037 PolarHBondContact O-N 3.1Å |
| 11 | K | 93.2 | Very high | 93.9 | Very high | 81 Ų | 81 | 23.1 Ų | 23.1 | 35% | 0.352 | 13% | 0.125 | S | C | . | . | trans | -65.6 | 159.7 | 178.7 | -61.8 | 171.9 | 179.6 | 178.5 | 0 | 111 | T8 T13 R38 E54 | T8-K11 HydrophobicContact CG2-CG 4.25Å; K11-T13 PolarHBondContact O-N 3.07Å; K11-R38 VanDerWaalsContact CD-CZ 3.4Å; K11-E54 VanDerWaalsContact CD-OE1 3.28Å; K11-E54 WeakPolarHBondContact CD-OE1 3.48Å; K11-E54 WeakPolarHBondContact CE-OE1 3.2Å; K11-E54 IonicContact NZ-OE1 3.52Å; K11-E54 PolarHBondContact NZ-OE1 2.86Å; K11-E54 IonicContact NZ-OE2 3.74Å; K11-E54 PolarHBondContact NZ-OE2 2.84Å | ||
| 12 | P | 96.2 | Very high | 95 | Very high | 5 Ų | 5 | 20.2 Ų | 20.2 | 3% | 0.032 | 11% | 0.11 | C | C | . | . | trans | -54.7 | 131.7 | 173.3 | -22.4 | 33.3 | 0 | 0 | 0 | 110.6 | K35 N36 E1002 N1034 M1036 | P12-K35 WeakPolarHBondContact O-CD 3.19Å; P12-N36 HydrophobicContact CB-CB 4.34Å; P12-E1002 WeakPolarHBondContact CG-OE1 3.48Å; P12-N1034 HydrophobicContact CB-CB 4.16Å; P12-M1036 HydrophobicContact CB-CB 4.5Å; P12-M1036 HydrophobicContact CG-CB 4.09Å; P12-M1036 HydrophobicContact CG-CG 4.36Å | ||
| 13 | T | 96.1 | Very high | 95.6 | Very high | 10 Ų | 10 | 20 Ų | 20 | 6% | 0.061 | 11% | 0.108 | C | C | . | . | trans | -110.4 | -23.8 | -175.6 | 47.3 | 0 | 0 | 0 | 0 | 112.6 | Q10 K11 V15 N355 L356 N1034 G1035 | Q10-T13 HydrophobicContact CG-CG2 4.44Å; K11-T13 PolarHBondContact O-N 3.07Å; T13-V15 PolarHBondContact O-N 3.01Å; T13-N355 PolarHBondContact OG1-OD1 2.97Å; T13-L356 PolarHBondContact OG1-N 3.47Å; T13-N1034 PolarHBondContact N-O 2.93Å; T13-G1035 PolarHBondContact OG1-O 2.84Å | ||
| 14 | A | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | trans | -66.3 | 129.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K35 R327 N355 N1034 | A14-K35 WeakPolarHBondContact O-CA 3.45Å; A14-R327 HydrophobicContact CB-CG 4.29Å; A14-N355 WeakPolarHBondContact CA-OD1 3.17Å; A14-N355 PolarHBondContact N-OD1 2.77Å; A14-N355 VanDerWaalsContact N-OD1 3.11Å; A14-N1034 HydrophobicContact CB-CB 4.16Å; A14-N1034 WeakPolarHBondContact CB-O 3.34Å; A14-N1034 PolarHBondContact N-O 3.01Å | ||
| 15 | V | 98.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | trans | -86.8 | 126.5 | 176.9 | 178.2 | 0 | 0 | 0 | 0 | 109.3 | T13 I33 K35 F323 S326 S331 | T13-V15 PolarHBondContact O-N 3.01Å; V15-I33 HydrophobicContact CB-CG2 4.29Å; V15-I33 HydrophobicContact CG1-CG2 3.69Å; V15-I33 HydrophobicContact CG2-CG2 3.67Å; V15-K35 HydrophobicContact CG2-CG 4.25Å; V15-F323 HydrophobicContact CG1-CE1 4.49Å; V15-F323 HydrophobicContact CG2-CZ 4.49Å; V15-S326 PolarHBondContact N-O 2.84Å; V15-S331 WeakPolarHBondContact CG2-OG 3.2Å | ||
| 16 | N | 94 | Very high | 95.5 | Very high | 38 Ų | 38 | 21.4 Ų | 21.4 | 20% | 0.203 | 13% | 0.128 | C | C | . | . | trans | -112.9 | -1.4 | 177.1 | 71 | -72.7 | 0 | 0 | 0 | 113.6 | A34 K35 N36 I61 | N16-A34 PolarHBondContact N-O 2.83Å; N16-A34 PolarHBondContact OD1-O 3.03Å; N16-K35 PolarHBondContact OD1-N 2.82Å; N16-N36 PolarHBondContact OD1-N 2.91Å; N16-I61 PolarHBondContact ND2-O 3.39Å | ||
| 17 | G | 96.6 | Very high | 95.3 | Very high | 16 Ų | 16 | 29.3 Ų | 29.3 | 17% | 0.165 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.8 | 145.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A34 | G17-A34 PolarHBondContact O-N 2.7Å |
| 18 | C | 97.8 | Very high | 95.4 | Very high | 14 Ų | 14 | 32 Ų | 32 | 10% | 0.095 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 145.2 | 173.5 | 64.1 | 0 | 0 | 0 | 0 | 110.1 | L31 L32 C313 T315 F323 | C18-L31 HydrophobicContact CB-CD1 4.23Å; C18-L32 CarbonylContact C-O 3.54Å; C18-L32 VanDerWaalsContact CA-O 3.23Å; C18-L32 WeakPolarHBondContact CA-O 3.3Å; C18-C313 PolarHBondContact SG-SG 3.19Å; C18-T315 PolarHBondContact O-OG1 3.21Å; C18-T315 PolarHBondContact SG-OG1 2.93Å; C18-F323 HydrophobicContact CB-CD1 4Å; C18-F323 HydrophobicContact CB-CE1 4.07Å |
| 19 | V | 97.4 | Very high | 95.5 | Very high | 19 Ų | 19 | 33.1 Ų | 33.1 | 12% | 0.115 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 151.4 | 176.8 | -63.8 | 0 | 0 | 0 | 0 | 110.3 | L32 M64 L66 L77 | V19-L32 HydrophobicContact CG2-CB 3.74Å; V19-L32 HydrophobicContact CG2-CD2 4.43Å; V19-L32 PolarHBondContact N-O 3.47Å; V19-L32 PolarHBondContact O-N 3.26Å; V19-M64 HydrophobicContact CG1-CE 4.4Å; V19-M64 WeakPolarHBondContact CG1-O 3.47Å; V19-M64 HydrophobicContact CG2-CE 3.97Å; V19-M64 HydrophobicContact CG2-CG 4.23Å; V19-M64 HydrophobicContact CG2-SD 4.32Å; V19-L66 HydrophobicContact CB-CD1 4.18Å; V19-L66 HydrophobicContact CB-CG 4.4Å; V19-L66 HydrophobicContact CG2-CD1 3.7Å; V19-L66 HydrophobicContact CG2-CG 3.77Å; V19-L77 HydrophobicContact CG2-CD1 4.36Å |
| 20 | T | 96.7 | Very high | 95.9 | Very high | 42 Ų | 42 | 32.5 Ų | 32.5 | 26% | 0.258 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 150.3 | 171.7 | -167.6 | 0 | 0 | 0 | 0 | 111.9 | L29 N30 L66 T315 Y316 | T20-L29 WeakPolarHBondContact OG1-CD1 3.18Å; T20-N30 WeakPolarHBondContact CA-O 3.36Å; T20-N30 WeakPolarHBondContact CB-O 3.31Å; T20-N30 PolarHBondContact OG1-O 2.65Å; T20-L66 VanDerWaalsContact C-CD1 3.49Å; T20-T315 HydrophobicContact CG2-CG2 3.51Å; T20-Y316 WeakPolarHBondContact CG2-O 3.28Å |
| 21 | G | 96.1 | Very high | 96.2 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 8% | 0.082 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.3 | -167.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | N30 D75 | G21-N30 PolarHBondContact N-O 2.87Å; G21-N30 WeakPolarHBondContact O-CA 3.48Å; G21-N30 WeakPolarHBondContact O-CB 3.29Å; G21-N30 PolarHBondContact O-N 3.4Å; G21-D75 WeakPolarHBondContact CA-OD2 3.42Å |
| 22 | H | 97.2 | Very high | 96.5 | Very high | 61 Ų | 61 | 26.8 Ų | 26.8 | 28% | 0.282 | 15% | 0.153 | S | C | . | . | trans | -106.3 | 79.6 | -178.1 | -46.2 | -96.6 | 0 | 0 | 0 | 109.8 | S25 A26 D28 R68 K74 D75 | H22-S25 CarbonylContact C-O 3.58Å; H22-S25 WeakPolarHBondContact CB-O 3.45Å; H22-A26 PolarHBondContact ND1-O 3.14Å; H22-D28 VanDerWaalsContact CA-O 3.3Å; H22-D28 WeakPolarHBondContact CA-O 3.34Å; H22-D28 WeakPolarHBondContact CB-O 3.06Å; H22-D28 PolarHBondContact ND1-O 3.22Å; H22-R68 VanDerWaalsContact CB-NH2 3.33Å; H22-R68 PolarHBondContact CD2-NH2 2.89Å; H22-K74 CarbonylContact O-C 3.53Å; H22-K74 WeakPolarHBondContact O-CA 3.32Å; H22-K74 WeakPolarHBondContact O-CB 3.36Å; H22-D75 PolarHBondContact N-OD2 2.52Å; H22-D75 WeakPolarHBondContact O-CB 3.34Å; H22-D75 PolarHBondContact O-N 2.69Å | ||
| 23 | F | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -90 | -38.5 | -174 | -176 | -116.9 | 0 | 0 | 0 | 112.9 | N30 L32 I41 L66 K74 D75 L77 Y91 I100 | F23-N30 WeakPolarHBondContact CA-OD1 3.48Å; F23-N30 HydrophobicContact CB-CB 4.38Å; F23-N30 PolarHBondContact N-OD1 2.87Å; F23-L32 HydrophobicContact CB-CD1 4.12Å; F23-L32 HydrophobicContact CD1-CD1 4.33Å; F23-L32 HydrophobicContact CD1-CD2 4.04Å; F23-L32 HydrophobicContact CE1-CD2 4.4Å; F23-L32 HydrophobicContact CG-CD1 4.45Å; F23-L32 HydrophobicContact CG-CD2 4.19Å; F23-I41 HydrophobicContact CD1-CD1 4.33Å; F23-I41 HydrophobicContact CD1-CG2 4.46Å; F23-I41 HydrophobicContact CE1-CD1 3.91Å; F23-L66 HydrophobicContact CB-CD2 4.23Å; F23-L66 HydrophobicContact CD2-CD2 3.86Å; F23-L66 HydrophobicContact CG-CD2 4.29Å; F23-K74 WeakPolarHBondContact O-CD 3.17Å; F23-D75 WeakPolarHBondContact CD2-O 3.21Å; F23-L77 HydrophobicContact CD2-CB 4.22Å; F23-L77 HydrophobicContact CE2-CB 3.59Å; F23-L77 HydrophobicContact CZ-CB 4.02Å; F23-Y91 WeakPolarHBondContact O-CB 3.44Å; F23-I100 HydrophobicContact CE1-CD1 4.08Å |
| 24 | T | 96.1 | Very high | 96.6 | Very high | 9 Ų | 9 | 26.2 Ų | 26.2 | 6% | 0.055 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -78.2 | -45.4 | -177.6 | 55.5 | 0 | 0 | 0 | 0 | 111.4 | D28 N30 I41 V52 K74 Y91 | T24-D28 VanDerWaalsContact OG1-CB 3.25Å; T24-D28 WeakPolarHBondContact OG1-CB 3.26Å; T24-D28 PolarHBondContact OG1-OD2 2.92Å; T24-N30 WeakPolarHBondContact CG2-ND2 3.34Å; T24-N30 PolarHBondContact N-OD1 3.41Å; T24-N30 PolarHBondContact OG1-ND2 3.08Å; T24-N30 PolarHBondContact OG1-OD1 2.78Å; T24-I41 HydrophobicContact CG2-CG2 4.34Å; T24-V52 HydrophobicContact CG2-CG1 4.47Å; T24-K74 PolarHBondContact O-NZ 2.81Å; T24-Y91 HydrophobicContact CG2-CD1 4.28Å; T24-Y91 HydrophobicContact CG2-CD2 3.89Å; T24-Y91 HydrophobicContact CG2-CE1 4.22Å; T24-Y91 HydrophobicContact CG2-CE2 3.81Å; T24-Y91 HydrophobicContact CG2-CG 4.13Å; T24-Y91 WeakPolarHBondContact O-CD1 3.3Å |
| 25 | S | 94.9 | Very high | 96.6 | Very high | 37 Ų | 37 | 27.4 Ų | 27.4 | 26% | 0.259 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -144.1 | -175.8 | 176.3 | 76.5 | 0 | 0 | 0 | 0 | 111 | H22 E27 D28 | H22-S25 CarbonylContact C-O 3.58Å; H22-S25 WeakPolarHBondContact CB-O 3.45Å; S25-E27 VanDerWaalsContact C-N 3.34Å; S25-E27 PolarHBondContact OG-N 3.3Å; S25-D28 WeakPolarHBondContact CB-OD2 3.45Å; S25-D28 WeakPolarHBondContact OG-CB 3.44Å; S25-D28 PolarHBondContact OG-N 3.02Å; S25-D28 PolarHBondContact OG-OD2 2.88Å |
| 26 | A | 93.9 | Very high | 96.5 | Very high | 36 Ų | 36 | 27.4 Ų | 27.4 | 30% | 0.298 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -76.8 | -23.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | H22 S73 | H22-A26 PolarHBondContact ND1-O 3.14Å; A26-S73 WeakPolarHBondContact CB-O 3.28Å |
| 27 | E | 93.1 | Very high | 96.6 | Very high | 169 Ų | 169 | 26.6 Ų | 26.6 | 79% | 0.79 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -107.2 | -29.3 | -171.6 | -56.7 | -58.5 | 143 | 0 | 0 | 112.1 | S25 L29 | S25-E27 VanDerWaalsContact C-N 3.34Å; S25-E27 PolarHBondContact OG-N 3.3Å; E27-L29 PolarHBondContact O-N 3.07Å |
| 28 | D | 94.9 | Very high | 96.5 | Very high | 59 Ų | 59 | 27.9 Ų | 27.9 | 32% | 0.316 | 15% | 0.151 | S | C | . | . | trans | -69 | 129.7 | 178 | -61 | -37.9 | 0 | 0 | 0 | 109.5 | H22 T24 S25 V43 | H22-D28 VanDerWaalsContact CA-O 3.3Å; H22-D28 WeakPolarHBondContact CA-O 3.34Å; H22-D28 WeakPolarHBondContact CB-O 3.06Å; H22-D28 PolarHBondContact ND1-O 3.22Å; T24-D28 VanDerWaalsContact OG1-CB 3.25Å; T24-D28 WeakPolarHBondContact OG1-CB 3.26Å; T24-D28 PolarHBondContact OG1-OD2 2.92Å; S25-D28 WeakPolarHBondContact CB-OD2 3.45Å; S25-D28 WeakPolarHBondContact OG-CB 3.44Å; S25-D28 PolarHBondContact OG-N 3.02Å; S25-D28 PolarHBondContact OG-OD2 2.88Å; D28-V43 HydrophobicContact CB-CG1 4.49Å | ||
| 29 | L | 97 | Very high | 96.4 | Very high | 37 Ų | 37 | 27.4 Ų | 27.4 | 19% | 0.194 | 15% | 0.147 | C | C | . | . | trans | -85.5 | 127.4 | 163.5 | -175.7 | 67.4 | 0 | 0 | 0 | 108.3 | T20 E27 V44 L317 D318 | T20-L29 WeakPolarHBondContact OG1-CD1 3.18Å; E27-L29 PolarHBondContact O-N 3.07Å; L29-V44 HydrophobicContact CB-CB 4.26Å; L29-V44 HydrophobicContact CB-CG2 4.42Å; L29-V44 HydrophobicContact CD2-CB 4.19Å; L29-V44 HydrophobicContact CD2-CG1 4.36Å; L29-V44 HydrophobicContact CD2-CG2 4.12Å; L29-V44 HydrophobicContact CG-CB 4.3Å; L29-V44 HydrophobicContact CG-CG2 4.03Å; L29-V44 PolarHBondContact O-N 3.2Å; L29-L317 HydrophobicContact CD2-CB 4.39Å; L29-L317 WeakPolarHBondContact CD2-O 3.43Å; L29-D318 HydrophobicContact CD2-CB 4.08Å | ||
| 30 | N | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 147.2 | -179.2 | -55.8 | 118.5 | 0 | 0 | 0 | 111.4 | T20 G21 F23 T24 L32 Y42 V43 | T20-N30 WeakPolarHBondContact CA-O 3.36Å; T20-N30 WeakPolarHBondContact CB-O 3.31Å; T20-N30 PolarHBondContact OG1-O 2.65Å; G21-N30 PolarHBondContact N-O 2.87Å; G21-N30 WeakPolarHBondContact O-CA 3.48Å; G21-N30 WeakPolarHBondContact O-CB 3.29Å; G21-N30 PolarHBondContact O-N 3.4Å; F23-N30 WeakPolarHBondContact CA-OD1 3.48Å; F23-N30 HydrophobicContact CB-CB 4.38Å; F23-N30 PolarHBondContact N-OD1 2.87Å; T24-N30 WeakPolarHBondContact CG2-ND2 3.34Å; T24-N30 PolarHBondContact N-OD1 3.41Å; T24-N30 PolarHBondContact OG1-ND2 3.08Å; T24-N30 PolarHBondContact OG1-OD1 2.78Å; N30-L32 HydrophobicContact CB-CD1 3.7Å; N30-Y42 CarbonylContact C-O 3.53Å; N30-Y42 WeakPolarHBondContact CA-O 3.49Å; N30-Y42 WeakPolarHBondContact CB-O 3.39Å; N30-Y42 PolarHBondContact ND2-O 2.78Å; N30-V43 VanDerWaalsContact ND2-CG2 3.3Å; N30-V43 WeakPolarHBondContact ND2-CG2 3.19Å |
| 31 | L | 97.9 | Very high | 96.3 | 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 | -110.2 | 124.2 | 164.4 | 170.4 | 63.6 | 0 | 0 | 0 | 107.8 | C18 I33 Y42 V44 L49 T315 L317 F323 | C18-L31 HydrophobicContact CB-CD1 4.23Å; L31-I33 HydrophobicContact CD1-CG1 4.21Å; L31-I33 HydrophobicContact CD2-CD1 3.98Å; L31-I33 HydrophobicContact CD2-CG1 4.2Å; L31-I33 HydrophobicContact CG-CD1 4.23Å; L31-I33 HydrophobicContact CG-CG1 3.91Å; L31-Y42 PolarHBondContact N-O 2.9Å; L31-Y42 PolarHBondContact O-N 2.79Å; L31-V44 HydrophobicContact CB-CG2 4.46Å; L31-L49 HydrophobicContact CB-CD2 4.46Å; L31-L49 HydrophobicContact CD2-CD1 3.65Å; L31-L49 HydrophobicContact CD2-CD2 4.11Å; L31-T315 HydrophobicContact CD1-CG2 4.14Å; L31-L317 HydrophobicContact CB-CD2 4.02Å; L31-L317 HydrophobicContact CD1-CD2 4.21Å; L31-L317 HydrophobicContact CG-CD2 4.47Å; L31-F323 HydrophobicContact CD1-CB 4.25Å; L31-F323 HydrophobicContact CD1-CD1 4Å; L31-F323 HydrophobicContact CD1-CG 4.21Å; L31-F323 HydrophobicContact CD2-CB 3.85Å; L31-F323 HydrophobicContact CD2-CD1 4.03Å; L31-F323 HydrophobicContact CD2-CD2 3.75Å; L31-F323 HydrophobicContact CD2-CE2 4.32Å; L31-F323 HydrophobicContact CD2-CG 3.58Å |
| 32 | L | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.6 | 175.2 | -81.1 | 67.2 | 0 | 0 | 0 | 108.7 | C18 V19 F23 N30 L39 E40 I41 M64 L66 L77 | C18-L32 CarbonylContact C-O 3.54Å; C18-L32 VanDerWaalsContact CA-O 3.23Å; C18-L32 WeakPolarHBondContact CA-O 3.3Å; V19-L32 HydrophobicContact CG2-CB 3.74Å; V19-L32 HydrophobicContact CG2-CD2 4.43Å; V19-L32 PolarHBondContact N-O 3.47Å; V19-L32 PolarHBondContact O-N 3.26Å; F23-L32 HydrophobicContact CB-CD1 4.12Å; F23-L32 HydrophobicContact CD1-CD1 4.33Å; F23-L32 HydrophobicContact CD1-CD2 4.04Å; F23-L32 HydrophobicContact CE1-CD2 4.4Å; F23-L32 HydrophobicContact CG-CD1 4.45Å; F23-L32 HydrophobicContact CG-CD2 4.19Å; N30-L32 HydrophobicContact CB-CD1 3.7Å; L32-L39 HydrophobicContact CB-CD1 4.13Å; L32-L39 HydrophobicContact CD2-CD1 4.33Å; L32-L39 HydrophobicContact CG-CD1 4.36Å; L32-E40 WeakPolarHBondContact CA-O 3.4Å; L32-I41 HydrophobicContact CD1-CG2 4.15Å; L32-I41 HydrophobicContact CG-CG1 4.39Å; L32-I41 HydrophobicContact CG-CG2 4.45Å; L32-M64 HydrophobicContact CB-SD 4.41Å; L32-L66 HydrophobicContact CD2-CD2 4.19Å; L32-L77 HydrophobicContact CD2-CD1 3.69Å; L32-L77 HydrophobicContact CD2-CD2 3.68Å; L32-L77 HydrophobicContact CD2-CG 4.19Å |
| 33 | I | 98.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129.7 | -175.9 | -55.6 | 174.3 | 0 | 0 | 0 | 108.8 | V15 L31 K35 L39 E40 Y42 F323 | V15-I33 HydrophobicContact CB-CG2 4.29Å; V15-I33 HydrophobicContact CG1-CG2 3.69Å; V15-I33 HydrophobicContact CG2-CG2 3.67Å; L31-I33 HydrophobicContact CD1-CG1 4.21Å; L31-I33 HydrophobicContact CD2-CD1 3.98Å; L31-I33 HydrophobicContact CD2-CG1 4.2Å; L31-I33 HydrophobicContact CG-CD1 4.23Å; L31-I33 HydrophobicContact CG-CG1 3.91Å; I33-K35 HydrophobicContact CG2-CG 4.14Å; I33-L39 CarbonylContact O-C 3.6Å; I33-L39 WeakPolarHBondContact O-CA 3.36Å; I33-E40 HydrophobicContact CB-CB 4.34Å; I33-E40 PolarHBondContact N-O 3.18Å; I33-E40 PolarHBondContact O-N 3.09Å; I33-Y42 HydrophobicContact CD1-CD2 4.13Å; I33-Y42 HydrophobicContact CD1-CE2 3.84Å; I33-F323 HydrophobicContact CD1-CE1 3.79Å; I33-F323 HydrophobicContact CD1-CE2 3.91Å; I33-F323 HydrophobicContact CD1-CZ 3.42Å; I33-F323 VanDerWaalsContact CD1-CZ 3.42Å; I33-F323 HydrophobicContact CG1-CE1 3.98Å; I33-F323 HydrophobicContact CG1-CZ 4.13Å |
| 34 | A | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 126.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | N16 G17 R38 I61 M64 | N16-A34 PolarHBondContact N-O 2.83Å; N16-A34 PolarHBondContact OD1-O 3.03Å; G17-A34 PolarHBondContact O-N 2.7Å; A34-R38 WeakPolarHBondContact CA-O 3.41Å; A34-I61 HydrophobicContact CB-CB 4.31Å; A34-I61 HydrophobicContact CB-CD1 3.73Å; A34-I61 HydrophobicContact CB-CG2 3.98Å; A34-M64 HydrophobicContact CB-CE 3.75Å; A34-M64 HydrophobicContact CB-SD 4.1Å |
| 35 | K | 97.1 | Very high | 95.7 | Very high | 26 Ų | 26 | 28.3 Ų | 28.3 | 11% | 0.113 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 84.8 | 172.7 | -64.4 | -177.5 | -177 | 164.8 | 0 | 109.4 | P12 A14 V15 N16 I33 T37 R38 E40 | P12-K35 WeakPolarHBondContact O-CD 3.19Å; A14-K35 WeakPolarHBondContact O-CA 3.45Å; V15-K35 HydrophobicContact CG2-CG 4.25Å; N16-K35 PolarHBondContact OD1-N 2.82Å; I33-K35 HydrophobicContact CG2-CG 4.14Å; K35-T37 PolarHBondContact O-N 3.4Å; K35-R38 PolarHBondContact N-O 3.01Å; K35-R38 PolarHBondContact O-N 2.92Å; K35-E40 WeakPolarHBondContact CD-OE1 3.31Å; K35-E40 WeakPolarHBondContact CE-OE1 3.3Å; K35-E40 WeakPolarHBondContact CE-OE2 3.42Å; K35-E40 IonicContact NZ-OE1 2.88Å; K35-E40 PolarHBondContact NZ-OE1 3.4Å; K35-E40 IonicContact NZ-OE2 3.7Å; K35-E40 PolarHBondContact NZ-OE2 2.86Å |
| 36 | N | 96.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | -82.3 | -174.6 | -164.3 | 52.9 | 0 | 0 | 0 | 114.3 | P12 N16 K60 I61 G1001 E1002 N1034 | P12-N36 HydrophobicContact CB-CB 4.34Å; N16-N36 PolarHBondContact OD1-N 2.91Å; N36-K60 CarbonylContact O-C 3.58Å; N36-K60 WeakPolarHBondContact OD1-CD 3.46Å; N36-K60 VanDerWaalsContact OD1-CE 3.28Å; N36-K60 WeakPolarHBondContact OD1-CE 2.71Å; N36-K60 WeakPolarHBondContact OD1-CG 3.5Å; N36-I61 WeakPolarHBondContact O-CB 3.24Å; N36-I61 WeakPolarHBondContact O-CG1 3.31Å; N36-I61 PolarHBondContact O-N 3.33Å; N36-G1001 PolarHBondContact ND2-O 3.34Å; N36-E1002 PolarHBondContact ND2-OE1 2.89Å; N36-N1034 HydrophobicContact CB-CB 4.41Å; N36-N1034 VanDerWaalsContact CG-ND2 3.33Å; N36-N1034 PolarHBondContact ND2-ND2 2.89Å |
| 37 | T | 95.4 | Very high | 94.6 | Very high | 20 Ų | 20 | 39.6 Ų | 39.6 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 7.4 | -179.4 | 55 | 0 | 0 | 0 | 0 | 113.5 | K35 M57 W1073 | K35-T37 PolarHBondContact O-N 3.4Å; T37-M57 PolarHBondContact O-N 2.93Å; T37-W1073 HydrophobicContact CG2-CH2 3.9Å; T37-W1073 HydrophobicContact CG2-CZ2 3.94Å |
| 38 | R | 94.6 | Very high | 94.2 | Very high | 44 Ų | 44 | 32.5 Ų | 32.5 | 17% | 0.166 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147.5 | -175.5 | -62.4 | -171.2 | 175.5 | -104.7 | -3.3 | 112.4 | K11 A34 K35 E54 V55 I61 | K11-R38 VanDerWaalsContact CD-CZ 3.4Å; A34-R38 WeakPolarHBondContact CA-O 3.41Å; K35-R38 PolarHBondContact N-O 3.01Å; K35-R38 PolarHBondContact O-N 2.92Å; R38-E54 WeakPolarHBondContact CD-OE1 3.35Å; R38-E54 IonicContact CZ-OE1 3.08Å; R38-E54 IonicContact NE-OE1 2.73Å; R38-E54 IonicContact NH1-OE1 3.26Å; R38-E54 PolarHBondContact NH1-OE1 3.39Å; R38-V55 WeakPolarHBondContact CA-O 3.46Å; R38-I61 WeakPolarHBondContact O-CD1 3.45Å |
| 39 | L | 95.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 123.3 | 173.6 | 172.4 | 71.1 | 0 | 0 | 0 | 108.9 | L32 I33 I41 E54 V55 M64 L77 | L32-L39 HydrophobicContact CB-CD1 4.13Å; L32-L39 HydrophobicContact CD2-CD1 4.33Å; L32-L39 HydrophobicContact CG-CD1 4.36Å; I33-L39 CarbonylContact O-C 3.6Å; I33-L39 WeakPolarHBondContact O-CA 3.36Å; L39-I41 HydrophobicContact CD2-CD1 4.33Å; L39-I41 HydrophobicContact CD2-CG1 4.36Å; L39-I41 HydrophobicContact CG-CG1 4.2Å; L39-E54 CarbonylContact O-C 3.52Å; L39-E54 WeakPolarHBondContact O-CA 3.31Å; L39-V55 HydrophobicContact CB-CB 4.26Å; L39-V55 PolarHBondContact N-O 3.09Å; L39-V55 PolarHBondContact O-N 3.48Å; L39-M64 HydrophobicContact CD1-SD 3.53Å; L39-M64 VanDerWaalsContact CD1-SD 3.53Å; L39-L77 HydrophobicContact CD1-CD2 4.18Å; L39-L77 HydrophobicContact CD2-CD2 3.52Å |
| 40 | E | 95.2 | Very high | 93.4 | Very high | 24 Ų | 24 | 36 Ų | 36 | 11% | 0.112 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 138.7 | 171.8 | -65.9 | 169.5 | -178.4 | 0 | 0 | 109.8 | L32 I33 K35 Y42 E54 | L32-E40 WeakPolarHBondContact CA-O 3.4Å; I33-E40 HydrophobicContact CB-CB 4.34Å; I33-E40 PolarHBondContact N-O 3.18Å; I33-E40 PolarHBondContact O-N 3.09Å; K35-E40 WeakPolarHBondContact CD-OE1 3.31Å; K35-E40 WeakPolarHBondContact CE-OE1 3.3Å; K35-E40 WeakPolarHBondContact CE-OE2 3.42Å; K35-E40 IonicContact NZ-OE1 2.88Å; K35-E40 PolarHBondContact NZ-OE1 3.4Å; K35-E40 IonicContact NZ-OE2 3.7Å; K35-E40 PolarHBondContact NZ-OE2 2.86Å; E40-Y42 HydrophobicContact CB-CD2 4.34Å; E40-Y42 HydrophobicContact CB-CE2 3.6Å; E40-Y42 PolarHBondContact OE2-OH 3.08Å; E40-E54 HydrophobicContact CG-CG 4.02Å |
| 41 | I | 96.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 122.2 | -176.4 | -49.5 | 178.5 | 0 | 0 | 0 | 108.4 | F23 T24 L32 L39 V52 K53 I100 | F23-I41 HydrophobicContact CD1-CD1 4.33Å; F23-I41 HydrophobicContact CD1-CG2 4.46Å; F23-I41 HydrophobicContact CE1-CD1 3.91Å; T24-I41 HydrophobicContact CG2-CG2 4.34Å; L32-I41 HydrophobicContact CD1-CG2 4.15Å; L32-I41 HydrophobicContact CG-CG1 4.39Å; L32-I41 HydrophobicContact CG-CG2 4.45Å; L39-I41 HydrophobicContact CD2-CD1 4.33Å; L39-I41 HydrophobicContact CD2-CG1 4.36Å; L39-I41 HydrophobicContact CG-CG1 4.2Å; I41-V52 HydrophobicContact CB-CB 4.42Å; I41-V52 HydrophobicContact CG2-CB 4.27Å; I41-V52 WeakPolarHBondContact O-CB 3.21Å; I41-V52 PolarHBondContact O-N 2.87Å; I41-K53 WeakPolarHBondContact CB-O 3.4Å; I41-K53 HydrophobicContact CD1-CB 4.38Å; I41-K53 PolarHBondContact N-O 3.33Å; I41-K53 PolarHBondContact O-N 2.8Å; I41-I100 HydrophobicContact CD1-CD1 3.81Å; I41-I100 HydrophobicContact CD1-CG1 4.29Å |
| 42 | Y | 95.6 | Very high | 92.5 | Very high | 36 Ų | 36 | 41.9 Ų | 41.9 | 14% | 0.141 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 148.2 | 177.1 | -63.5 | -96.1 | 0 | 0 | 0 | 110.6 | N30 L31 I33 E40 L49 R50 P51 | N30-Y42 CarbonylContact C-O 3.53Å; N30-Y42 WeakPolarHBondContact CA-O 3.49Å; N30-Y42 WeakPolarHBondContact CB-O 3.39Å; N30-Y42 PolarHBondContact ND2-O 2.78Å; L31-Y42 PolarHBondContact N-O 2.9Å; L31-Y42 PolarHBondContact O-N 2.79Å; I33-Y42 HydrophobicContact CD1-CD2 4.13Å; I33-Y42 HydrophobicContact CD1-CE2 3.84Å; E40-Y42 HydrophobicContact CB-CD2 4.34Å; E40-Y42 HydrophobicContact CB-CE2 3.6Å; E40-Y42 PolarHBondContact OE2-OH 3.08Å; Y42-L49 HydrophobicContact CD1-CB 3.9Å; Y42-L49 HydrophobicContact CG-CB 4.35Å; Y42-R50 CarbonylContact C-O 3.51Å; Y42-R50 VanDerWaalsContact CA-O 3.31Å; Y42-R50 WeakPolarHBondContact CA-O 3.36Å; Y42-P51 HydrophobicContact CD1-CB 4.04Å; Y42-P51 HydrophobicContact CE1-CB 3.78Å |
| 43 | V | 95.6 | Very high | 92 | Very high | 9 Ų | 9 | 46.6 Ų | 46.6 | 6% | 0.055 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 129.3 | 163.2 | 171.6 | 0 | 0 | 0 | 0 | 107.4 | D28 N30 T45 R50 V52 | D28-V43 HydrophobicContact CB-CG1 4.49Å; N30-V43 VanDerWaalsContact ND2-CG2 3.3Å; N30-V43 WeakPolarHBondContact ND2-CG2 3.19Å; V43-T45 HydrophobicContact CG1-CG2 4.07Å; V43-T45 PolarHBondContact O-N 3.11Å; V43-R50 PolarHBondContact N-O 3.32Å; V43-R50 PolarHBondContact O-N 2.73Å; V43-V52 HydrophobicContact CB-CG2 4.18Å; V43-V52 HydrophobicContact CG2-CG2 3.41Å; V43-V52 VanDerWaalsContact CG2-CG2 3.41Å |
| 44 | V | 94.7 | Very high | 91.6 | Very high | 37 Ų | 37 | 49.7 Ų | 49.7 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 117.8 | 174.5 | -173.6 | 0 | 0 | 0 | 0 | 107.8 | L29 L31 L49 L317 | L29-V44 HydrophobicContact CB-CB 4.26Å; L29-V44 HydrophobicContact CB-CG2 4.42Å; L29-V44 HydrophobicContact CD2-CB 4.19Å; L29-V44 HydrophobicContact CD2-CG1 4.36Å; L29-V44 HydrophobicContact CD2-CG2 4.12Å; L29-V44 HydrophobicContact CG-CB 4.3Å; L29-V44 HydrophobicContact CG-CG2 4.03Å; L29-V44 PolarHBondContact O-N 3.2Å; L31-V44 HydrophobicContact CB-CG2 4.46Å; V44-L49 HydrophobicContact CG2-CD2 3.99Å; V44-L317 HydrophobicContact CG1-CB 4.34Å; V44-L317 HydrophobicContact CG1-CD1 4.36Å; V44-L317 HydrophobicContact CG2-CB 4.43Å; V44-L317 HydrophobicContact CG2-CD1 4.13Å; V44-L317 HydrophobicContact CG2-CD2 3.99Å; V44-L317 HydrophobicContact CG2-CG 4.42Å |
| 45 | T | 89.9 | Confident | 91.3 | Very high | 51 Ų | 51 | 50.3 Ų | 50.3 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | trans | -118.1 | 171.2 | 177.1 | 80.2 | 0 | 0 | 0 | 0 | 110.3 | V43 E47 G48 R50 | V43-T45 HydrophobicContact CG1-CG2 4.07Å; V43-T45 PolarHBondContact O-N 3.11Å; T45-E47 PolarHBondContact O-N 3.28Å; T45-E47 PolarHBondContact OG1-N 3.05Å; T45-G48 PolarHBondContact N-O 3.32Å; T45-G48 PolarHBondContact O-N 3.04Å; T45-G48 PolarHBondContact OG1-N 3.25Å; T45-G48 PolarHBondContact OG1-O 3.33Å; T45-R50 HydrophobicContact CG2-CB 3.97Å | ||
| 46 | A | 84.5 | Confident | 91 | Very high | 114 Ų | 114 | 51.1 Ų | 51.1 | 94% | 0.942 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -66.3 | -23.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 47 | E | 79.7 | Confident | 90.8 | Very high | 195 Ų | 195 | 51.6 Ų | 51.6 | 91% | 0.911 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -89.2 | -18.8 | -179.3 | -66.5 | 173.2 | -175.6 | 0 | 0 | 112.5 | T45 | T45-E47 PolarHBondContact O-N 3.28Å; T45-E47 PolarHBondContact OG1-N 3.05Å |
| 48 | G | 84.6 | Confident | 90.8 | Very high | 21 Ų | 21 | 52.7 Ų | 52.7 | 22% | 0.216 | 29% | 0.289 | C | S | . | . | S | Bend | trans | 147.6 | -159 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T45 | T45-G48 PolarHBondContact N-O 3.32Å; T45-G48 PolarHBondContact O-N 3.04Å; T45-G48 PolarHBondContact OG1-N 3.25Å; T45-G48 PolarHBondContact OG1-O 3.33Å |
| 49 | L | 89.2 | Confident | 90.8 | Very high | 20 Ų | 20 | 50.7 Ų | 50.7 | 11% | 0.105 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 113.9 | 175.8 | -65.8 | 178.3 | 0 | 0 | 0 | 110 | L31 Y42 V44 L317 F323 L333 F353 | L31-L49 HydrophobicContact CB-CD2 4.46Å; L31-L49 HydrophobicContact CD2-CD1 3.65Å; L31-L49 HydrophobicContact CD2-CD2 4.11Å; Y42-L49 HydrophobicContact CD1-CB 3.9Å; Y42-L49 HydrophobicContact CG-CB 4.35Å; V44-L49 HydrophobicContact CG2-CD2 3.99Å; L49-L317 HydrophobicContact CD2-CD1 3.97Å; L49-F323 HydrophobicContact CD1-CD2 4.46Å; L49-L333 HydrophobicContact CD1-CD1 4.09Å; L49-L333 HydrophobicContact CD1-CD2 4.48Å; L49-L333 HydrophobicContact CG-CD1 4.41Å; L49-L333 HydrophobicContact CG-CD2 4.28Å; L49-F353 HydrophobicContact CD1-CE2 4.47Å; L49-F353 HydrophobicContact CD1-CZ 3.9Å |
| 50 | R | 87.2 | Confident | 90.8 | Very high | 148 Ų | 148 | 53.4 Ų | 53.4 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 118.4 | 175.9 | -172.1 | 177.7 | 65.6 | -178.8 | -1.4 | 110.4 | Y42 V43 T45 | Y42-R50 CarbonylContact C-O 3.51Å; Y42-R50 VanDerWaalsContact CA-O 3.31Å; Y42-R50 WeakPolarHBondContact CA-O 3.36Å; V43-R50 PolarHBondContact N-O 3.32Å; V43-R50 PolarHBondContact O-N 2.73Å; T45-R50 HydrophobicContact CG2-CB 3.97Å |
| 51 | P | 87 | Confident | 90.9 | Very high | 93 Ų | 93 | 52.5 Ų | 52.5 | 60% | 0.604 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 138.1 | 176.8 | 26.2 | -33.3 | 0 | 0 | 0 | 110.9 | Y42 | Y42-P51 HydrophobicContact CD1-CB 4.04Å; Y42-P51 HydrophobicContact CE1-CB 3.78Å |
| 52 | V | 88.7 | Confident | 90.9 | Very high | 32 Ų | 32 | 54.4 Ų | 54.4 | 19% | 0.194 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | -52.8 | 177.9 | -180 | 0 | 0 | 0 | 0 | 110.8 | T24 I41 V43 Y91 I98 | T24-V52 HydrophobicContact CG2-CG1 4.47Å; I41-V52 HydrophobicContact CB-CB 4.42Å; I41-V52 HydrophobicContact CG2-CB 4.27Å; I41-V52 WeakPolarHBondContact O-CB 3.21Å; I41-V52 PolarHBondContact O-N 2.87Å; V43-V52 HydrophobicContact CB-CG2 4.18Å; V43-V52 HydrophobicContact CG2-CG2 3.41Å; V43-V52 VanDerWaalsContact CG2-CG2 3.41Å; V52-Y91 HydrophobicContact CG1-CE2 3.84Å; V52-I98 HydrophobicContact CG1-CD1 3.96Å |
| 53 | K | 87.5 | Confident | 91 | Very high | 99 Ų | 99 | 53.3 Ų | 53.3 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 140.9 | -176.3 | -165.9 | 68.5 | 179.8 | -177.3 | 0 | 111.1 | I41 V55 I98 | I41-K53 WeakPolarHBondContact CB-O 3.4Å; I41-K53 HydrophobicContact CD1-CB 4.38Å; I41-K53 PolarHBondContact N-O 3.33Å; I41-K53 PolarHBondContact O-N 2.8Å; K53-V55 HydrophobicContact CG-CG2 3.99Å; K53-I98 HydrophobicContact CB-CG2 4.37Å; K53-I98 HydrophobicContact CD-CG2 4.39Å; K53-I98 HydrophobicContact CG-CG2 4.41Å |
| 54 | E | 89.8 | Confident | 91.1 | Very high | 69 Ų | 69 | 53.6 Ų | 53.6 | 32% | 0.322 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 138.1 | 165 | -169.9 | -164.6 | 143 | 0 | 0 | 109.3 | K11 R38 L39 E40 | K11-E54 VanDerWaalsContact CD-OE1 3.28Å; K11-E54 WeakPolarHBondContact CD-OE1 3.48Å; K11-E54 WeakPolarHBondContact CE-OE1 3.2Å; K11-E54 IonicContact NZ-OE1 3.52Å; K11-E54 PolarHBondContact NZ-OE1 2.86Å; K11-E54 IonicContact NZ-OE2 3.74Å; K11-E54 PolarHBondContact NZ-OE2 2.84Å; R38-E54 WeakPolarHBondContact CD-OE1 3.35Å; R38-E54 IonicContact CZ-OE1 3.08Å; R38-E54 IonicContact NE-OE1 2.73Å; R38-E54 IonicContact NH1-OE1 3.26Å; R38-E54 PolarHBondContact NH1-OE1 3.39Å; L39-E54 CarbonylContact O-C 3.52Å; L39-E54 WeakPolarHBondContact O-CA 3.31Å; E40-E54 HydrophobicContact CG-CG 4.02Å |
| 55 | V | 91.5 | Very high | 91.2 | Very high | 12 Ų | 12 | 54.9 Ų | 54.9 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 119.1 | -174.3 | -177 | 0 | 0 | 0 | 0 | 109.9 | R38 L39 K53 I100 V1065 | R38-V55 WeakPolarHBondContact CA-O 3.46Å; L39-V55 HydrophobicContact CB-CB 4.26Å; L39-V55 PolarHBondContact N-O 3.09Å; L39-V55 PolarHBondContact O-N 3.48Å; K53-V55 HydrophobicContact CG-CG2 3.99Å; V55-I100 HydrophobicContact CG2-CG1 3.78Å; V55-V1065 HydrophobicContact CG1-CB 4.11Å; V55-V1065 HydrophobicContact CG1-CG1 4.25Å; V55-V1065 HydrophobicContact CG1-CG2 3.58Å |
| 56 | G | 91.6 | Very high | 91.6 | Very high | 43 Ų | 43 | 53.8 Ų | 53.8 | 44% | 0.443 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 142.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 57 | M | 92.2 | Very high | 92.1 | Very high | 11 Ų | 11 | 49 Ų | 49 | 5% | 0.054 | 26% | 0.257 | C | S | . | . | trans | -127.3 | 139.5 | 175.1 | -171 | 172.6 | 62.3 | 0 | 0 | 111.1 | T37 G59 I61 I79 T81 I1068 | T37-M57 PolarHBondContact O-N 2.93Å; M57-G59 VanDerWaalsContact CE-O 3.25Å; M57-G59 WeakPolarHBondContact CE-O 3.25Å; M57-G59 PolarHBondContact O-N 3.5Å; M57-I61 HydrophobicContact CE-CB 4.25Å; M57-I61 HydrophobicContact CE-CD1 4.12Å; M57-I61 HydrophobicContact CE-CG1 3.17Å; M57-I79 HydrophobicContact CE-CG2 3.7Å; M57-I79 HydrophobicContact SD-CD1 4.41Å; M57-I79 HydrophobicContact SD-CG2 3.82Å; M57-T81 HydrophobicContact CE-CG2 3.51Å; M57-T81 HydrophobicContact SD-CG2 3.97Å; M57-I1068 HydrophobicContact CG-CD1 4.46Å | ||
| 58 | Y | 95 | Very high | 92.9 | Very high | 43 Ų | 43 | 44.2 Ų | 44.2 | 17% | 0.169 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -78.7 | 57.3 | 175 | -72.6 | -5.8 | 0 | 0 | 0 | 111.5 | I1068 H1070 W1073 | Y58-I1068 WeakPolarHBondContact CD2-O 3.41Å; Y58-I1068 WeakPolarHBondContact O-CD1 3.38Å; Y58-I1068 WeakPolarHBondContact O-CG2 3.04Å; Y58-H1070 HydrophobicContact CD2-CB 4.3Å; Y58-H1070 HydrophobicContact CE2-CB 3.74Å; Y58-H1070 AromaticContact CZ-CD2 3.85Å; Y58-W1073 AromaticContact CD1-CD1 3.66Å; Y58-W1073 HydrophobicContact CD1-CG 4.32Å; Y58-W1073 HydrophobicContact CD2-CB 4.47Å; Y58-W1073 HydrophobicContact CG-CB 4.15Å; Y58-W1073 AromaticContact CG-CD1 3.77Å; Y58-W1073 HydrophobicContact CG-CG 4.01Å |
| 59 | G | 95.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 174.4 | 143.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | M57 I61 W1073 | M57-G59 VanDerWaalsContact CE-O 3.25Å; M57-G59 WeakPolarHBondContact CE-O 3.25Å; M57-G59 PolarHBondContact O-N 3.5Å; G59-I61 PolarHBondContact O-N 2.81Å; G59-W1073 VanDerWaalsContact CA-CZ3 3.45Å |
| 60 | K | 96.3 | Very high | 93.3 | Very high | 62 Ų | 62 | 51.7 Ų | 51.7 | 27% | 0.27 | 26% | 0.259 | S | S | . | . | trans | -69.5 | 119.4 | 168.2 | 170.5 | 170.2 | -177.2 | -170.7 | 0 | 109.7 | N36 A62 T81 A82 | N36-K60 CarbonylContact O-C 3.58Å; N36-K60 WeakPolarHBondContact OD1-CD 3.46Å; N36-K60 VanDerWaalsContact OD1-CE 3.28Å; N36-K60 WeakPolarHBondContact OD1-CE 2.71Å; N36-K60 WeakPolarHBondContact OD1-CG 3.5Å; K60-A62 PolarHBondContact O-N 2.9Å; K60-T81 CarbonylContact O-C 3.55Å; K60-T81 WeakPolarHBondContact O-CA 3.29Å; K60-T81 WeakPolarHBondContact O-CB 3.39Å; K60-A82 HydrophobicContact CB-CB 4.1Å; K60-A82 HydrophobicContact CD-CB 4.38Å; K60-A82 HydrophobicContact CG-CB 4.24Å; K60-A82 PolarHBondContact O-N 2.64Å | ||
| 61 | I | 97.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 117.3 | 175.4 | -60.9 | 166 | 0 | 0 | 0 | 108.2 | N16 A34 N36 R38 M57 G59 M64 I79 | N16-I61 PolarHBondContact ND2-O 3.39Å; A34-I61 HydrophobicContact CB-CB 4.31Å; A34-I61 HydrophobicContact CB-CD1 3.73Å; A34-I61 HydrophobicContact CB-CG2 3.98Å; N36-I61 WeakPolarHBondContact O-CB 3.24Å; N36-I61 WeakPolarHBondContact O-CG1 3.31Å; N36-I61 PolarHBondContact O-N 3.33Å; R38-I61 WeakPolarHBondContact O-CD1 3.45Å; M57-I61 HydrophobicContact CE-CB 4.25Å; M57-I61 HydrophobicContact CE-CD1 4.12Å; M57-I61 HydrophobicContact CE-CG1 3.17Å; G59-I61 PolarHBondContact O-N 2.81Å; I61-M64 HydrophobicContact CG2-CB 4.11Å; I61-I79 HydrophobicContact CG1-CG2 4.34Å; I61-I79 HydrophobicContact CG2-CG2 4.34Å |
| 62 | A | 96.6 | Very high | 93.6 | Very high | 42 Ų | 42 | 44.8 Ų | 44.8 | 35% | 0.347 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -35.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K60 L80 I120 | K60-A62 PolarHBondContact O-N 2.9Å; A62-L80 WeakPolarHBondContact CA-O 3.25Å; A62-L80 WeakPolarHBondContact CB-O 3.36Å; A62-L80 PolarHBondContact N-O 3.23Å; A62-I120 HydrophobicContact CB-CB 4.33Å; A62-I120 HydrophobicContact CB-CD1 4.12Å; A62-I120 HydrophobicContact CB-CG2 4.21Å |
| 63 | V | 97.5 | Very high | 93.8 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 139.2 | 176.8 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | E65 I79 L80 I120 | V63-E65 HydrophobicContact CG1-CG 3.97Å; V63-I79 WeakPolarHBondContact O-CA 3.4Å; V63-L80 HydrophobicContact CB-CB 3.96Å; V63-L80 HydrophobicContact CG2-CB 4.19Å; V63-L80 HydrophobicContact CG2-CD2 4.19Å; V63-L80 PolarHBondContact N-O 2.86Å; V63-L80 PolarHBondContact O-N 2.77Å; V63-I120 HydrophobicContact CG2-CG2 3.86Å |
| 64 | M | 97.4 | Very high | 94.2 | Very high | 14 Ų | 14 | 43.8 Ų | 43.8 | 7% | 0.069 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 117.4 | 174.4 | 180 | 175.8 | 63.2 | 0 | 0 | 108.7 | V19 L32 A34 L39 I61 L77 F78 | V19-M64 HydrophobicContact CG1-CE 4.4Å; V19-M64 WeakPolarHBondContact CG1-O 3.47Å; V19-M64 HydrophobicContact CG2-CE 3.97Å; V19-M64 HydrophobicContact CG2-CG 4.23Å; V19-M64 HydrophobicContact CG2-SD 4.32Å; L32-M64 HydrophobicContact CB-SD 4.41Å; A34-M64 HydrophobicContact CB-CE 3.75Å; A34-M64 HydrophobicContact CB-SD 4.1Å; L39-M64 HydrophobicContact CD1-SD 3.53Å; L39-M64 VanDerWaalsContact CD1-SD 3.53Å; I61-M64 HydrophobicContact CG2-CB 4.11Å; M64-L77 HydrophobicContact CG-CD1 3.58Å; M64-L77 HydrophobicContact CG-CG 4.39Å; M64-L77 HydrophobicContact SD-CD1 4.28Å; M64-F78 WeakPolarHBondContact CA-O 3.44Å |
| 65 | E | 97.3 | Very high | 94.6 | Very high | 64 Ų | 64 | 41.2 Ų | 41.2 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 135.5 | -176 | -71.9 | -67.2 | 172.9 | 0 | 0 | 111.2 | V63 F78 I124 | V63-E65 HydrophobicContact CG1-CG 3.97Å; E65-F78 PolarHBondContact N-O 3.1Å; E65-F78 PolarHBondContact O-N 2.86Å; E65-I124 HydrophobicContact CB-CD1 3.68Å; E65-I124 HydrophobicContact CB-CG1 4.13Å |
| 66 | L | 97.2 | Very high | 94.9 | Very high | 28 Ų | 28 | 41 Ų | 41 | 15% | 0.147 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 142 | 172.8 | -76.7 | 170.6 | 0 | 0 | 0 | 110.4 | V19 T20 F23 L32 D75 L76 L77 | V19-L66 HydrophobicContact CB-CD1 4.18Å; V19-L66 HydrophobicContact CB-CG 4.4Å; V19-L66 HydrophobicContact CG2-CD1 3.7Å; V19-L66 HydrophobicContact CG2-CG 3.77Å; T20-L66 VanDerWaalsContact C-CD1 3.49Å; F23-L66 HydrophobicContact CB-CD2 4.23Å; F23-L66 HydrophobicContact CD2-CD2 3.86Å; F23-L66 HydrophobicContact CG-CD2 4.29Å; L32-L66 HydrophobicContact CD2-CD2 4.19Å; L66-D75 HydrophobicContact CB-CB 4.44Å; L66-D75 HydrophobicContact CD2-CB 3.93Å; L66-L76 WeakPolarHBondContact CA-O 3.36Å; L66-L77 HydrophobicContact CD2-CB 4.14Å; L66-L77 HydrophobicContact CD2-CD1 3.79Å; L66-L77 HydrophobicContact CG-CD1 4.06Å |
| 67 | F | 96.3 | Very high | 95.1 | Very high | 13 Ų | 13 | 39 Ų | 39 | 6% | 0.057 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 152.1 | 175.6 | 69.3 | -70.9 | 0 | 0 | 0 | 111.2 | P69 D75 L76 F78 I88 I124 C128 L145 | F67-P69 HydrophobicContact CD2-CG 3.94Å; F67-P69 HydrophobicContact CE2-CG 3.64Å; F67-D75 WeakPolarHBondContact O-CA 3.37Å; F67-L76 HydrophobicContact CD1-CB 4.34Å; F67-L76 WeakPolarHBondContact CD1-O 3.43Å; F67-L76 HydrophobicContact CE1-CB 3.78Å; F67-L76 HydrophobicContact CE2-CD1 4.49Å; F67-L76 HydrophobicContact CZ-CB 3.87Å; F67-L76 HydrophobicContact CZ-CD1 4.21Å; F67-L76 PolarHBondContact N-O 3.26Å; F67-L76 PolarHBondContact O-N 2.68Å; F67-F78 HydrophobicContact CD1-CB 4.31Å; F67-F78 HydrophobicContact CE1-CB 3.94Å; F67-I88 HydrophobicContact CE1-CG2 4.24Å; F67-I88 HydrophobicContact CZ-CD1 3.99Å; F67-I88 HydrophobicContact CZ-CG1 4.26Å; F67-I88 HydrophobicContact CZ-CG2 3.97Å; F67-I124 HydrophobicContact CB-CD1 3.84Å; F67-I124 HydrophobicContact CB-CG2 3.95Å; F67-I124 HydrophobicContact CD1-CD1 3.44Å; F67-I124 VanDerWaalsContact CD1-CD1 3.44Å; F67-I124 HydrophobicContact CD2-CG2 4.43Å; F67-I124 HydrophobicContact CE1-CD1 4.16Å; F67-I124 HydrophobicContact CG-CD1 3.73Å; F67-I124 HydrophobicContact CG-CG2 4.21Å; F67-C128 HydrophobicContact CD2-CB 4.36Å; F67-L145 HydrophobicContact CD2-CD1 4.14Å; F67-L145 HydrophobicContact CE2-CD1 3.91Å; F67-L145 HydrophobicContact CE2-CD2 4.17Å; F67-L145 HydrophobicContact CZ-CD2 4.36Å |
| 68 | R | 95.1 | Very high | 95.4 | Very high | 96 Ų | 96 | 38.5 Ų | 38.5 | 36% | 0.362 | 21% | 0.21 | S | C | . | . | trans | -117.2 | 100.3 | 178.4 | -165.1 | 173 | -59.7 | 178.3 | 7.4 | 111.4 | H22 D75 C128 | H22-R68 VanDerWaalsContact CB-NH2 3.33Å; H22-R68 PolarHBondContact CD2-NH2 2.89Å; R68-D75 WeakPolarHBondContact CB-OD1 3.49Å; R68-D75 IonicContact CZ-OD1 3.66Å; R68-D75 IonicContact NE-OD1 2.76Å; R68-D75 PolarHBondContact NE-OD1 2.83Å; R68-D75 IonicContact NH2-OD1 3.63Å; R68-D75 PolarHBondContact NH2-OD1 2.84Å; R68-D75 IonicContact NH2-OD2 2.83Å; R68-C128 PolarHBondContact O-SG 3.27Å; R68-C128 VanDerWaalsContact O-SG 3.33Å | ||
| 69 | P | 92.8 | Very high | 95.6 | Very high | 28 Ų | 28 | 36.5 Ų | 36.5 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | trans | -57.9 | 149.7 | 171.7 | -22.2 | 32.3 | 0 | 0 | 0 | 112 | F67 G71 E72 L76 | F67-P69 HydrophobicContact CD2-CG 3.94Å; F67-P69 HydrophobicContact CE2-CG 3.64Å; P69-G71 PolarHBondContact O-N 2.87Å; P69-E72 HydrophobicContact CB-CG 4.03Å; P69-E72 HydrophobicContact CG-CG 4.17Å; P69-E72 PolarHBondContact O-N 2.76Å; P69-E72 VanDerWaalsContact O-N 3.1Å; P69-L76 HydrophobicContact CG-CD1 3.75Å; P69-L76 HydrophobicContact CG-CG 4.36Å | ||
| 70 | K | 89.3 | Confident | 95.7 | Very high | 170 Ų | 170 | 36.4 Ų | 36.4 | 74% | 0.739 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 123.4 | 174.5 | -66.9 | -178.8 | -178 | 175.4 | 0 | 110.4 | ||
| 71 | G | 89.2 | Confident | 95.7 | Very high | 69 Ų | 69 | 33.5 Ų | 33.5 | 71% | 0.711 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.8 | -2.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.5 | P69 | P69-G71 PolarHBondContact O-N 2.87Š|
| 72 | E | 92.6 | Very high | 95.6 | Very high | 26 Ų | 26 | 35.2 Ų | 35.2 | 12% | 0.121 | 20% | 0.204 | C | C | . | . | trans | -87 | 141.1 | 165.2 | -62 | -67.1 | 151 | 0 | 0 | 109.4 | P69 K74 R103 R147 | P69-E72 HydrophobicContact CB-CG 4.03Å; P69-E72 HydrophobicContact CG-CG 4.17Å; P69-E72 PolarHBondContact O-N 2.76Å; P69-E72 VanDerWaalsContact O-N 3.1Å; E72-K74 VanDerWaalsContact C-N 3.34Å; E72-R103 IonicContact OE1-CZ 3.36Å; E72-R103 IonicContact OE1-NH1 2.75Å; E72-R103 PolarHBondContact OE1-NH1 2.85Å; E72-R103 IonicContact OE1-NH2 3.39Å; E72-R103 PolarHBondContact OE1-NH2 3.1Å; E72-R103 IonicContact OE2-CZ 3.44Å; E72-R103 IonicContact OE2-NH1 3.52Å; E72-R103 IonicContact OE2-NH2 3.19Å; E72-R103 PolarHBondContact OE2-NH2 3.4Å; E72-R147 IonicContact OE1-CZ 2.72Å; E72-R147 IonicContact OE1-NE 2.81Å; E72-R147 PolarHBondContact OE1-NE 2.66Å; E72-R147 IonicContact OE1-NH2 3.52Å; E72-R147 PolarHBondContact OE1-NH2 3.14Å | ||
| 73 | S | 93.4 | Very high | 95.5 | Very high | 82 Ų | 82 | 34.7 Ų | 34.7 | 57% | 0.573 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -81.7 | -17.2 | 179.2 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | A26 | A26-S73 WeakPolarHBondContact CB-O 3.28Š|
| 74 | K | 95.8 | Very high | 95.4 | Very high | 29 Ų | 29 | 35.4 Ų | 35.4 | 13% | 0.126 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -141.8 | 166.4 | -174.7 | 70.4 | -174.3 | -169.2 | 176 | 0 | 110.4 | H22 F23 T24 E72 Y91 | H22-K74 CarbonylContact O-C 3.53Å; H22-K74 WeakPolarHBondContact O-CA 3.32Å; H22-K74 WeakPolarHBondContact O-CB 3.36Å; F23-K74 WeakPolarHBondContact O-CD 3.17Å; T24-K74 PolarHBondContact O-NZ 2.81Å; E72-K74 VanDerWaalsContact C-N 3.34Å; K74-Y91 WeakPolarHBondContact CE-O 3.44Å; K74-Y91 PolarHBondContact NZ-O 3.21Å |
| 75 | D | 97.3 | Very high | 95.3 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 8% | 0.08 | 20% | 0.197 | C | C | . | . | trans | -74.3 | 150.2 | -176.5 | -57.7 | -18.8 | 0 | 0 | 0 | 111.4 | G21 H22 F23 L66 F67 R68 | G21-D75 WeakPolarHBondContact CA-OD2 3.42Å; H22-D75 PolarHBondContact N-OD2 2.52Å; H22-D75 WeakPolarHBondContact O-CB 3.34Å; H22-D75 PolarHBondContact O-N 2.69Å; F23-D75 WeakPolarHBondContact CD2-O 3.21Å; L66-D75 HydrophobicContact CB-CB 4.44Å; L66-D75 HydrophobicContact CD2-CB 3.93Å; F67-D75 WeakPolarHBondContact O-CA 3.37Å; R68-D75 WeakPolarHBondContact CB-OD1 3.49Å; R68-D75 IonicContact CZ-OD1 3.66Å; R68-D75 IonicContact NE-OD1 2.76Å; R68-D75 PolarHBondContact NE-OD1 2.83Å; R68-D75 IonicContact NH2-OD1 3.63Å; R68-D75 PolarHBondContact NH2-OD1 2.84Å; R68-D75 IonicContact NH2-OD2 2.83Å | ||
| 76 | L | 96.8 | Very high | 95.3 | Very high | 8 Ų | 8 | 32.8 Ų | 32.8 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 154.3 | 165.7 | -58.5 | -177.3 | 0 | 0 | 0 | 108.8 | L66 F67 P69 I88 E90 | L66-L76 WeakPolarHBondContact CA-O 3.36Å; F67-L76 HydrophobicContact CD1-CB 4.34Å; F67-L76 WeakPolarHBondContact CD1-O 3.43Å; F67-L76 HydrophobicContact CE1-CB 3.78Å; F67-L76 HydrophobicContact CE2-CD1 4.49Å; F67-L76 HydrophobicContact CZ-CB 3.87Å; F67-L76 HydrophobicContact CZ-CD1 4.21Å; F67-L76 PolarHBondContact N-O 3.26Å; F67-L76 PolarHBondContact O-N 2.68Å; P69-L76 HydrophobicContact CG-CD1 3.75Å; P69-L76 HydrophobicContact CG-CG 4.36Å; L76-I88 HydrophobicContact CB-CG2 3.89Å; L76-I88 HydrophobicContact CD1-CG2 3.89Å; L76-I88 HydrophobicContact CG-CG2 4.44Å; L76-E90 HydrophobicContact CD2-CB 3.97Å; L76-E90 HydrophobicContact CD2-CG 4.13Å |
| 77 | L | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117.2 | -179.9 | -176.7 | 68.7 | 0 | 0 | 0 | 109.9 | V19 F23 L32 L39 M64 L66 I79 I88 L89 | V19-L77 HydrophobicContact CG2-CD1 4.36Å; F23-L77 HydrophobicContact CD2-CB 4.22Å; F23-L77 HydrophobicContact CE2-CB 3.59Å; F23-L77 HydrophobicContact CZ-CB 4.02Å; L32-L77 HydrophobicContact CD2-CD1 3.69Å; L32-L77 HydrophobicContact CD2-CD2 3.68Å; L32-L77 HydrophobicContact CD2-CG 4.19Å; L39-L77 HydrophobicContact CD1-CD2 4.18Å; L39-L77 HydrophobicContact CD2-CD2 3.52Å; M64-L77 HydrophobicContact CG-CD1 3.58Å; M64-L77 HydrophobicContact CG-CG 4.39Å; M64-L77 HydrophobicContact SD-CD1 4.28Å; L66-L77 HydrophobicContact CD2-CB 4.14Å; L66-L77 HydrophobicContact CD2-CD1 3.79Å; L66-L77 HydrophobicContact CG-CD1 4.06Å; L77-I79 HydrophobicContact CD2-CD1 3.88Å; L77-I79 HydrophobicContact CD2-CG1 4.13Å; L77-I79 HydrophobicContact CG-CD1 4.37Å; L77-I79 HydrophobicContact CG-CG1 4.06Å; L77-I88 CarbonylContact O-C 3.38Å; L77-I88 WeakPolarHBondContact O-CA 3.48Å; L77-L89 HydrophobicContact CB-CB 4.29Å; L77-L89 HydrophobicContact CD2-CD1 4.38Å; L77-L89 PolarHBondContact N-O 3.29Å; L77-L89 PolarHBondContact O-N 3.32Å |
| 78 | F | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 133.1 | 168.5 | 175.6 | -110.6 | 0 | 0 | 0 | 110 | M64 E65 F67 L80 A86 C87 I88 I124 I131 L133 L152 | M64-F78 WeakPolarHBondContact CA-O 3.44Å; E65-F78 PolarHBondContact N-O 3.1Å; E65-F78 PolarHBondContact O-N 2.86Å; F67-F78 HydrophobicContact CD1-CB 4.31Å; F67-F78 HydrophobicContact CE1-CB 3.94Å; F78-L80 HydrophobicContact CE1-CB 4.14Å; F78-L80 HydrophobicContact CZ-CB 4.13Å; F78-A86 HydrophobicContact CE2-CB 4Å; F78-A86 HydrophobicContact CZ-CB 4.29Å; F78-C87 WeakPolarHBondContact CA-O 3.38Å; F78-C87 WeakPolarHBondContact CD2-O 3.22Å; F78-I88 HydrophobicContact CD2-CG1 4.2Å; F78-I124 HydrophobicContact CB-CD1 3.88Å; F78-I124 HydrophobicContact CG-CD1 4.46Å; F78-I131 HydrophobicContact CB-CD1 4.31Å; F78-I131 HydrophobicContact CD1-CD1 4.15Å; F78-I131 HydrophobicContact CD1-CG2 4.31Å; F78-I131 HydrophobicContact CD2-CD1 3.34Å; F78-I131 HydrophobicContact CE1-CD1 4.32Å; F78-I131 HydrophobicContact CE1-CG2 3.84Å; F78-I131 HydrophobicContact CE2-CD1 3.52Å; F78-I131 HydrophobicContact CE2-CG2 4.47Å; F78-I131 HydrophobicContact CG-CD1 3.67Å; F78-I131 HydrophobicContact CZ-CD1 4.03Å; F78-I131 HydrophobicContact CZ-CG2 3.93Å; F78-L133 HydrophobicContact CE1-CD2 4.07Å; F78-L133 HydrophobicContact CZ-CD2 4.07Å; F78-L152 HydrophobicContact CE2-CD1 4.39Å |
| 79 | I | 98 | Very high | 95.5 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.1 | 172.9 | -62.4 | -177.7 | 0 | 0 | 0 | 109.4 | M57 I61 V63 L77 A86 C87 L89 | M57-I79 HydrophobicContact CE-CG2 3.7Å; M57-I79 HydrophobicContact SD-CD1 4.41Å; M57-I79 HydrophobicContact SD-CG2 3.82Å; I61-I79 HydrophobicContact CG1-CG2 4.34Å; I61-I79 HydrophobicContact CG2-CG2 4.34Å; V63-I79 WeakPolarHBondContact O-CA 3.4Å; L77-I79 HydrophobicContact CD2-CD1 3.88Å; L77-I79 HydrophobicContact CD2-CG1 4.13Å; L77-I79 HydrophobicContact CG-CD1 4.37Å; L77-I79 HydrophobicContact CG-CG1 4.06Å; I79-A86 CarbonylContact O-C 3.11Å; I79-A86 VanDerWaalsContact O-CA 3.31Å; I79-A86 WeakPolarHBondContact O-CA 3.46Å; I79-C87 PolarHBondContact N-O 3.02Å; I79-C87 PolarHBondContact O-N 3.34Å; I79-L89 HydrophobicContact CD1-CD1 3.71Å |
| 80 | L | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132.4 | 165.1 | 179.5 | 65.7 | 0 | 0 | 0 | 109.3 | A62 V63 F78 A86 V108 I120 L133 L135 | A62-L80 WeakPolarHBondContact CA-O 3.25Å; A62-L80 WeakPolarHBondContact CB-O 3.36Å; A62-L80 PolarHBondContact N-O 3.23Å; V63-L80 HydrophobicContact CB-CB 3.96Å; V63-L80 HydrophobicContact CG2-CB 4.19Å; V63-L80 HydrophobicContact CG2-CD2 4.19Å; V63-L80 PolarHBondContact N-O 2.86Å; V63-L80 PolarHBondContact O-N 2.77Å; F78-L80 HydrophobicContact CE1-CB 4.14Å; F78-L80 HydrophobicContact CZ-CB 4.13Å; L80-A86 HydrophobicContact CD1-CB 4.03Å; L80-V108 HydrophobicContact CD1-CG2 3.91Å; L80-I120 HydrophobicContact CD2-CG2 3.46Å; L80-I120 VanDerWaalsContact CD2-CG2 3.46Å; L80-I120 HydrophobicContact CG-CG2 4.42Å; L80-L133 HydrophobicContact CD2-CD1 4.33Å; L80-L133 HydrophobicContact CD2-CD2 4.06Å; L80-L135 HydrophobicContact CD2-CD2 3.66Å |
| 81 | T | 97 | Very high | 95.9 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 160.6 | 176.8 | 63.8 | 0 | 0 | 0 | 0 | 112.3 | M57 K60 K83 Y84 N85 I1068 | M57-T81 HydrophobicContact CE-CG2 3.51Å; M57-T81 HydrophobicContact SD-CG2 3.97Å; K60-T81 CarbonylContact O-C 3.55Å; K60-T81 WeakPolarHBondContact O-CA 3.29Å; K60-T81 WeakPolarHBondContact O-CB 3.39Å; T81-K83 PolarHBondContact O-N 2.89Å; T81-Y84 WeakPolarHBondContact O-CA 3.44Å; T81-Y84 PolarHBondContact O-N 2.94Å; T81-N85 HydrophobicContact CG2-CB 4.39Å; T81-N85 PolarHBondContact N-O 2.87Å; T81-N85 WeakPolarHBondContact OG1-CA 3.49Å; T81-N85 WeakPolarHBondContact OG1-CB 3.2Å; T81-N85 PolarHBondContact OG1-N 2.8Å; T81-N85 PolarHBondContact OG1-O 2.89Å; T81-N85 VanDerWaalsContact OG1-O 3.07Å; T81-I1068 HydrophobicContact CG2-CD1 4.15Å |
| 82 | A | 94.5 | Very high | 96.1 | Very high | 40 Ų | 40 | 19.6 Ų | 19.6 | 33% | 0.331 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -26 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | K60 Y84 | K60-A82 HydrophobicContact CB-CB 4.1Å; K60-A82 HydrophobicContact CD-CB 4.38Å; K60-A82 HydrophobicContact CG-CB 4.24Å; K60-A82 PolarHBondContact O-N 2.64Å; A82-Y84 VanDerWaalsContact C-N 3.27Å; A82-Y84 PolarHBondContact O-N 3.04Å |
| 83 | K | 93.5 | Very high | 95.9 | Very high | 30 Ų | 30 | 23.8 Ų | 23.8 | 13% | 0.13 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 24.2 | 171.1 | -68.6 | -171.4 | 178.2 | 177.5 | 0 | 112.8 | T81 N85 N107 H999 F1072 | T81-K83 PolarHBondContact O-N 2.89Å; K83-N85 PolarHBondContact O-N 2.83Å; K83-N85 VanDerWaalsContact O-N 3.08Å; K83-N107 PolarHBondContact O-ND2 3.04Å; K83-N107 VanDerWaalsContact O-ND2 3.13Å; K83-H999 WeakPolarHBondContact CE-NE2 3.32Å; K83-H999 PolarHBondContact NZ-CD2 2.9Å; K83-H999 VanDerWaalsContact NZ-CD2 3.34Å; K83-H999 PolarHBondContact NZ-NE2 2.86Å; K83-F1072 HydrophobicContact CB-CE1 4.15Å; K83-F1072 HydrophobicContact CB-CZ 4.16Å; K83-F1072 HydrophobicContact CD-CE1 4.02Å; K83-F1072 HydrophobicContact CD-CZ 4.16Å |
| 84 | Y | 95.2 | Very high | 95.5 | Very high | 29 Ų | 29 | 24 Ų | 24 | 11% | 0.114 | 13% | 0.127 | C | C | . | . | trans | 60.3 | 17.3 | 173.6 | -45.2 | -71.8 | 0 | 0 | 0 | 116.3 | T81 A82 A86 V108 Q109 I120 L135 | T81-Y84 WeakPolarHBondContact O-CA 3.44Å; T81-Y84 PolarHBondContact O-N 2.94Å; A82-Y84 VanDerWaalsContact C-N 3.27Å; A82-Y84 PolarHBondContact O-N 3.04Å; Y84-A86 PolarHBondContact O-N 3.13Å; Y84-V108 WeakPolarHBondContact O-CG2 3.37Å; Y84-V108 PolarHBondContact O-N 3.38Å; Y84-Q109 HydrophobicContact CD2-CB 3.75Å; Y84-Q109 HydrophobicContact CD2-CG 3.6Å; Y84-Q109 HydrophobicContact CE2-CG 4.06Å; Y84-Q109 HydrophobicContact CG-CB 4.09Å; Y84-Q109 HydrophobicContact CG-CG 4.38Å; Y84-I120 HydrophobicContact CE1-CD1 4.06Å; Y84-L135 HydrophobicContact CD1-CD1 3.92Å; Y84-L135 HydrophobicContact CD1-CD2 4.35Å; Y84-L135 HydrophobicContact CE1-CB 4.19Å; Y84-L135 HydrophobicContact CE1-CD1 4.39Å; Y84-L135 HydrophobicContact CE1-CD2 4.47Å | ||
| 85 | N | 96.6 | Very high | 94.8 | Very high | 21 Ų | 21 | 25.6 Ų | 25.6 | 11% | 0.112 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 122.9 | 165.3 | -62.4 | -60.6 | 0 | 0 | 0 | 108.7 | T81 K83 N107 I1068 F1072 | T81-N85 HydrophobicContact CG2-CB 4.39Å; T81-N85 PolarHBondContact N-O 2.87Å; T81-N85 WeakPolarHBondContact OG1-CA 3.49Å; T81-N85 WeakPolarHBondContact OG1-CB 3.2Å; T81-N85 PolarHBondContact OG1-N 2.8Å; T81-N85 PolarHBondContact OG1-O 2.89Å; T81-N85 VanDerWaalsContact OG1-O 3.07Å; K83-N85 PolarHBondContact O-N 2.83Å; K83-N85 VanDerWaalsContact O-N 3.08Å; N85-N107 PolarHBondContact OD1-ND2 2.92Å; N85-I1068 HydrophobicContact CB-CD1 3.61Å; N85-I1068 HydrophobicContact CB-CG1 3.88Å; N85-F1072 WeakPolarHBondContact ND2-CE1 3.42Å |
| 86 | A | 97.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 2% | 0.017 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 140.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | F78 I79 L80 Y84 H105 G106 V108 L152 | F78-A86 HydrophobicContact CE2-CB 4Å; F78-A86 HydrophobicContact CZ-CB 4.29Å; I79-A86 CarbonylContact O-C 3.11Å; I79-A86 VanDerWaalsContact O-CA 3.31Å; I79-A86 WeakPolarHBondContact O-CA 3.46Å; L80-A86 HydrophobicContact CD1-CB 4.03Å; Y84-A86 PolarHBondContact O-N 3.13Å; A86-H105 CarbonylContact O-C 3.59Å; A86-H105 WeakPolarHBondContact O-CA 3.47Å; A86-G106 PolarHBondContact N-O 3.3Å; A86-G106 PolarHBondContact O-N 3.04Å; A86-V108 HydrophobicContact CB-CG1 4.16Å; A86-V108 HydrophobicContact CB-CG2 4.41Å; A86-L152 HydrophobicContact CB-CD1 3.76Å |
| 87 | C | 97.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 155.7 | 173.7 | 63.2 | 0 | 0 | 0 | 0 | 112.5 | F78 I79 L89 T102 A104 H105 | F78-C87 WeakPolarHBondContact CA-O 3.38Å; F78-C87 WeakPolarHBondContact CD2-O 3.22Å; I79-C87 PolarHBondContact N-O 3.02Å; I79-C87 PolarHBondContact O-N 3.34Å; C87-L89 HydrophobicContact CB-CD2 4.34Å; C87-T102 HydrophobicContact CB-CG2 4.25Å; C87-A104 CarbonylContact C-O 3.58Å; C87-A104 VanDerWaalsContact CA-O 3.27Å; C87-A104 WeakPolarHBondContact CA-O 3.13Å; C87-H105 HydrophobicContact CB-CB 4.1Å |
| 88 | I | 97.2 | Very high | 92.1 | Very high | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.062 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121.6 | 170.5 | -61.9 | 172 | 0 | 0 | 0 | 107.2 | F67 L76 L77 F78 R103 A104 L145 L152 | F67-I88 HydrophobicContact CE1-CG2 4.24Å; F67-I88 HydrophobicContact CZ-CD1 3.99Å; F67-I88 HydrophobicContact CZ-CG1 4.26Å; F67-I88 HydrophobicContact CZ-CG2 3.97Å; L76-I88 HydrophobicContact CB-CG2 3.89Å; L76-I88 HydrophobicContact CD1-CG2 3.89Å; L76-I88 HydrophobicContact CG-CG2 4.44Å; L77-I88 CarbonylContact O-C 3.38Å; L77-I88 WeakPolarHBondContact O-CA 3.48Å; F78-I88 HydrophobicContact CD2-CG1 4.2Å; I88-R103 HydrophobicContact CG2-CB 4.45Å; I88-R103 PolarHBondContact O-N 2.86Å; I88-A104 HydrophobicContact CB-CB 4.31Å; I88-A104 HydrophobicContact CD1-CB 4.22Å; I88-A104 HydrophobicContact CG1-CB 4.49Å; I88-A104 PolarHBondContact N-O 2.8Å; I88-A104 PolarHBondContact O-N 2.81Å; I88-L145 HydrophobicContact CD1-CD2 3.96Å; I88-L152 HydrophobicContact CD1-CD2 3.68Å; I88-L152 HydrophobicContact CG1-CD1 4.39Å; I88-L152 HydrophobicContact CG1-CD2 4.2Å |
| 89 | L | 96.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 147.5 | -177.4 | -52.6 | -176.1 | 0 | 0 | 0 | 111.1 | L77 I79 C87 I100 I101 T102 V1065 | L77-L89 HydrophobicContact CB-CB 4.29Å; L77-L89 HydrophobicContact CD2-CD1 4.38Å; L77-L89 PolarHBondContact N-O 3.29Å; L77-L89 PolarHBondContact O-N 3.32Å; I79-L89 HydrophobicContact CD1-CD1 3.71Å; C87-L89 HydrophobicContact CB-CD2 4.34Å; L89-I100 HydrophobicContact CB-CG2 3.87Å; L89-I100 HydrophobicContact CD1-CG2 3.95Å; L89-I100 HydrophobicContact CG-CG2 4.33Å; L89-I101 CarbonylContact C-O 3.52Å; L89-I101 WeakPolarHBondContact CA-O 3.49Å; L89-T102 HydrophobicContact CD2-CG2 4.38Å; L89-V1065 HydrophobicContact CD1-CG1 3.44Å; L89-V1065 VanDerWaalsContact CD1-CG1 3.44Å; L89-V1065 HydrophobicContact CD2-CG1 3.6Å; L89-V1065 HydrophobicContact CG-CG1 4.19Å |
| 90 | E | 95.7 | Very high | 91.5 | Very high | 16 Ų | 16 | 43.7 Ų | 43.7 | 8% | 0.075 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 128.9 | 178 | 176.5 | -175.7 | -161.8 | 0 | 0 | 109.3 | L76 K92 I101 R103 | L76-E90 HydrophobicContact CD2-CB 3.97Å; L76-E90 HydrophobicContact CD2-CG 4.13Å; E90-K92 HydrophobicContact CG-CG 4.22Å; E90-K92 VanDerWaalsContact OE1-CE 3.32Å; E90-K92 WeakPolarHBondContact OE1-CE 3.38Å; E90-K92 WeakPolarHBondContact OE2-CE 3.39Å; E90-K92 IonicContact OE2-NZ 3Å; E90-I101 PolarHBondContact N-O 2.96Å; E90-I101 PolarHBondContact O-N 2.83Å; E90-R103 HydrophobicContact CB-CG 4.04Å; E90-R103 VanDerWaalsContact CD-NE 3.29Å; E90-R103 VanDerWaalsContact CD-NH2 3.33Å; E90-R103 IonicContact OE1-CZ 3.45Å; E90-R103 IonicContact OE1-NE 2.79Å; E90-R103 IonicContact OE1-NH2 3.06Å; E90-R103 PolarHBondContact OE1-NH2 2.92Å; E90-R103 WeakPolarHBondContact OE2-CG 3.16Å; E90-R103 IonicContact OE2-CZ 3.67Å; E90-R103 IonicContact OE2-NE 2.94Å; E90-R103 PolarHBondContact OE2-NE 3.48Å; E90-R103 IonicContact OE2-NH2 3.71Å; E90-R103 PolarHBondContact OE2-NH2 3.17Å |
| 91 | Y | 96 | Very high | 91.2 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 131.1 | 168.8 | -179.9 | -91.7 | 0 | 0 | 0 | 110.5 | F23 T24 V52 K74 Q93 I98 I100 | F23-Y91 WeakPolarHBondContact O-CB 3.44Å; T24-Y91 HydrophobicContact CG2-CD1 4.28Å; T24-Y91 HydrophobicContact CG2-CD2 3.89Å; T24-Y91 HydrophobicContact CG2-CE1 4.22Å; T24-Y91 HydrophobicContact CG2-CE2 3.81Å; T24-Y91 HydrophobicContact CG2-CG 4.13Å; T24-Y91 WeakPolarHBondContact O-CD1 3.3Å; V52-Y91 HydrophobicContact CG1-CE2 3.84Å; K74-Y91 WeakPolarHBondContact CE-O 3.44Å; K74-Y91 PolarHBondContact NZ-O 3.21Å; Y91-Q93 HydrophobicContact CE1-CB 3.76Å; Y91-Q93 PolarHBondContact OH-OE1 2.8Å; Y91-I98 HydrophobicContact CD2-CG2 4.14Å; Y91-I98 HydrophobicContact CE2-CG2 3.34Å; Y91-I100 HydrophobicContact CD2-CD1 3.72Å; Y91-I100 HydrophobicContact CG-CD1 4.39Å |
| 92 | K | 93.6 | Very high | 91.2 | Very high | 88 Ų | 88 | 47.5 Ų | 47.5 | 38% | 0.383 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 140.2 | 167.4 | -65.4 | -152 | -170 | 168.1 | 0 | 110.8 | E90 D99 I101 | E90-K92 HydrophobicContact CG-CG 4.22Å; E90-K92 VanDerWaalsContact OE1-CE 3.32Å; E90-K92 WeakPolarHBondContact OE1-CE 3.38Å; E90-K92 WeakPolarHBondContact OE2-CE 3.39Å; E90-K92 IonicContact OE2-NZ 3Å; K92-D99 PolarHBondContact N-O 3.22Å; K92-D99 PolarHBondContact O-N 2.82Å; K92-D99 VanDerWaalsContact O-O 3.09Å; K92-I101 HydrophobicContact CB-CD1 4.07Å; K92-I101 HydrophobicContact CB-CG1 4.41Å; K92-I101 HydrophobicContact CD-CD1 3.4Å; K92-I101 VanDerWaalsContact CD-CD1 3.4Å; K92-I101 HydrophobicContact CD-CG1 4.37Å; K92-I101 HydrophobicContact CG-CD1 3.72Å; K92-I101 HydrophobicContact CG-CG1 4.18Å |
| 93 | Q | 88.9 | Confident | 91.2 | Very high | 114 Ų | 114 | 49 Ų | 49 | 53% | 0.533 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 125.6 | 176.2 | -175.3 | 169.6 | 1 | 0 | 0 | 109 | Y91 G95 S97 I98 | Y91-Q93 HydrophobicContact CE1-CB 3.76Å; Y91-Q93 PolarHBondContact OH-OE1 2.8Å; Q93-G95 WeakPolarHBondContact CG-O 3.46Å; Q93-G95 PolarHBondContact NE2-O 2.97Å; Q93-S97 CarbonylContact C-O 3.6Å; Q93-S97 WeakPolarHBondContact CA-O 3.41Å; Q93-I98 HydrophobicContact CG-CG1 4.23Å |
| 94 | S | 83.3 | Confident | 91.3 | Very high | 85 Ų | 85 | 47.7 Ų | 47.7 | 59% | 0.594 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 98.1 | 175.8 | -63 | 0 | 0 | 0 | 0 | 108.6 | E96 S97 | S94-E96 PolarHBondContact O-N 3.35Å; S94-S97 PolarHBondContact N-O 2.83Å; S94-S97 PolarHBondContact O-N 2.95Å; S94-S97 VanDerWaalsContact O-N 3.13Å; S94-S97 PolarHBondContact O-OG 3.02Å |
| 95 | G | 81.2 | Confident | 91.3 | Very high | 64 Ų | 64 | 49 Ų | 49 | 66% | 0.66 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | -125.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q93 | Q93-G95 WeakPolarHBondContact CG-O 3.46Å; Q93-G95 PolarHBondContact NE2-O 2.97Å |
| 96 | E | 73.3 | Confident | 91.3 | Very high | 183 Ų | 183 | 48.9 Ų | 48.9 | 86% | 0.855 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -13 | 176 | -62.8 | -177.3 | 170.9 | 0 | 0 | 113 | S94 | S94-E96 PolarHBondContact O-N 3.35Š|
| 97 | S | 76.6 | Confident | 91.1 | Very high | 60 Ų | 60 | 52.1 Ų | 52.1 | 42% | 0.42 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 125.3 | -179.6 | 67.1 | 0 | 0 | 0 | 0 | 111.9 | Q93 S94 | Q93-S97 CarbonylContact C-O 3.6Å; Q93-S97 WeakPolarHBondContact CA-O 3.41Å; S94-S97 PolarHBondContact N-O 2.83Å; S94-S97 PolarHBondContact O-N 2.95Å; S94-S97 VanDerWaalsContact O-N 3.13Å; S94-S97 PolarHBondContact O-OG 3.02Å |
| 98 | I | 86.4 | Confident | 91 | Very high | 40 Ų | 40 | 52.3 Ų | 52.3 | 21% | 0.205 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.5 | 178.1 | -63 | 173.8 | 0 | 0 | 0 | 109.1 | V52 K53 Y91 Q93 | V52-I98 HydrophobicContact CG1-CD1 3.96Å; K53-I98 HydrophobicContact CB-CG2 4.37Å; K53-I98 HydrophobicContact CD-CG2 4.39Å; K53-I98 HydrophobicContact CG-CG2 4.41Å; Y91-I98 HydrophobicContact CD2-CG2 4.14Å; Y91-I98 HydrophobicContact CE2-CG2 3.34Å; Q93-I98 HydrophobicContact CG-CG1 4.23Å |
| 99 | D | 88.8 | Confident | 90.8 | Very high | 98 Ų | 98 | 56.4 Ų | 56.4 | 52% | 0.524 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143.6 | 179 | -79.2 | -34.2 | 0 | 0 | 0 | 111.6 | K92 | K92-D99 PolarHBondContact N-O 3.22Å; K92-D99 PolarHBondContact O-N 2.82Å; K92-D99 VanDerWaalsContact O-O 3.09Å |
| 100 | I | 93.3 | Very high | 90.6 | Very high | 23 Ų | 23 | 58 Ų | 58 | 12% | 0.118 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 111.6 | 169.4 | -58.2 | -53 | 0 | 0 | 0 | 108.9 | F23 I41 V55 L89 Y91 | F23-I100 HydrophobicContact CE1-CD1 4.08Å; I41-I100 HydrophobicContact CD1-CD1 3.81Å; I41-I100 HydrophobicContact CD1-CG1 4.29Å; V55-I100 HydrophobicContact CG2-CG1 3.78Å; L89-I100 HydrophobicContact CB-CG2 3.87Å; L89-I100 HydrophobicContact CD1-CG2 3.95Å; L89-I100 HydrophobicContact CG-CG2 4.33Å; Y91-I100 HydrophobicContact CD2-CD1 3.72Å; Y91-I100 HydrophobicContact CG-CD1 4.39Å |
| 101 | I | 93.3 | Very high | 89.9 | Confident | 63 Ų | 63 | 69.2 Ų | 69.2 | 32% | 0.323 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 132 | -173.8 | -57.7 | -168.4 | 0 | 0 | 0 | 110.3 | L89 E90 K92 R103 | L89-I101 CarbonylContact C-O 3.52Å; L89-I101 WeakPolarHBondContact CA-O 3.49Å; E90-I101 PolarHBondContact N-O 2.96Å; E90-I101 PolarHBondContact O-N 2.83Å; K92-I101 HydrophobicContact CB-CD1 4.07Å; K92-I101 HydrophobicContact CB-CG1 4.41Å; K92-I101 HydrophobicContact CD-CD1 3.4Å; K92-I101 VanDerWaalsContact CD-CD1 3.4Å; K92-I101 HydrophobicContact CD-CG1 4.37Å; K92-I101 HydrophobicContact CG-CD1 3.72Å; K92-I101 HydrophobicContact CG-CG1 4.18Å; I101-R103 PolarHBondContact O-N 2.88Å |
| 102 | T | 95.5 | Very high | 89.3 | Confident | 19 Ų | 19 | 76.2 Ų | 76.2 | 12% | 0.117 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 101.2 | 168.7 | -53.7 | 0 | 0 | 0 | 0 | 110.2 | C87 L89 H105 G1066 K1067 | C87-T102 HydrophobicContact CB-CG2 4.25Å; L89-T102 HydrophobicContact CD2-CG2 4.38Å; T102-H105 HydrophobicContact CG2-CB 3.82Å; T102-G1066 PolarHBondContact OG1-N 2.79Å; T102-K1067 HydrophobicContact CG2-CG 4.33Å |
| 103 | R | 94.2 | Very high | 88.7 | Confident | 70 Ų | 70 | 73.7 Ų | 73.7 | 26% | 0.264 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | -48.3 | 176.5 | -89.7 | -147 | -178.3 | 176.5 | 15.4 | 111.7 | E72 I88 E90 I101 | E72-R103 IonicContact OE1-CZ 3.36Å; E72-R103 IonicContact OE1-NH1 2.75Å; E72-R103 PolarHBondContact OE1-NH1 2.85Å; E72-R103 IonicContact OE1-NH2 3.39Å; E72-R103 PolarHBondContact OE1-NH2 3.1Å; E72-R103 IonicContact OE2-CZ 3.44Å; E72-R103 IonicContact OE2-NH1 3.52Å; E72-R103 IonicContact OE2-NH2 3.19Å; E72-R103 PolarHBondContact OE2-NH2 3.4Å; I88-R103 HydrophobicContact CG2-CB 4.45Å; I88-R103 PolarHBondContact O-N 2.86Å; E90-R103 HydrophobicContact CB-CG 4.04Å; E90-R103 VanDerWaalsContact CD-NE 3.29Å; E90-R103 VanDerWaalsContact CD-NH2 3.33Å; E90-R103 IonicContact OE1-CZ 3.45Å; E90-R103 IonicContact OE1-NE 2.79Å; E90-R103 IonicContact OE1-NH2 3.06Å; E90-R103 PolarHBondContact OE1-NH2 2.92Å; E90-R103 WeakPolarHBondContact OE2-CG 3.16Å; E90-R103 IonicContact OE2-CZ 3.67Å; E90-R103 IonicContact OE2-NE 2.94Å; E90-R103 PolarHBondContact OE2-NE 3.48Å; E90-R103 IonicContact OE2-NH2 3.71Å; E90-R103 PolarHBondContact OE2-NH2 3.17Å; I101-R103 PolarHBondContact O-N 2.88Å |
| 104 | A | 96 | Very high | 88.7 | Confident | 4 Ų | 4 | 75.4 Ų | 75.4 | 3% | 0.033 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 151.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | C87 I88 N149 K150 L152 | C87-A104 CarbonylContact C-O 3.58Å; C87-A104 VanDerWaalsContact CA-O 3.27Å; C87-A104 WeakPolarHBondContact CA-O 3.13Å; I88-A104 HydrophobicContact CB-CB 4.31Å; I88-A104 HydrophobicContact CD1-CB 4.22Å; I88-A104 HydrophobicContact CG1-CB 4.49Å; I88-A104 PolarHBondContact N-O 2.8Å; I88-A104 PolarHBondContact O-N 2.81Å; A104-N149 WeakPolarHBondContact CB-O 3.41Å; A104-K150 VanDerWaalsContact CA-O 3.26Å; A104-K150 WeakPolarHBondContact CA-O 3.37Å; A104-L152 HydrophobicContact CB-CD2 3.6Å; A104-L152 HydrophobicContact CB-CG 3.92Å |
| 105 | H | 96.4 | Very high | 89 | Confident | 56 Ų | 56 | 74.9 Ų | 74.9 | 26% | 0.259 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 162.8 | 178.8 | 64.7 | -48.7 | 0 | 0 | 0 | 110.9 | A86 C87 T102 K150 E151 L152 G1066 K1067 | A86-H105 CarbonylContact O-C 3.59Å; A86-H105 WeakPolarHBondContact O-CA 3.47Å; C87-H105 HydrophobicContact CB-CB 4.1Å; T102-H105 HydrophobicContact CG2-CB 3.82Å; H105-K150 PolarHBondContact N-O 2.88Å; H105-K150 VanDerWaalsContact N-O 3.16Å; H105-K150 PolarHBondContact ND1-O 2.89Å; H105-E151 WeakPolarHBondContact O-CA 3.29Å; H105-L152 PolarHBondContact O-N 2.81Å; H105-G1066 WeakPolarHBondContact CB-O 3.37Å; H105-K1067 VanDerWaalsContact CE1-CD 3.48Å; H105-K1067 WeakPolarHBondContact CE1-CD 3.48Å; H105-K1067 WeakPolarHBondContact NE2-CD 3.3Å |
| 106 | G | 95.3 | Very high | 89.4 | Confident | 18 Ų | 18 | 72.5 Ų | 72.5 | 19% | 0.186 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.1 | 160 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | A86 | A86-G106 PolarHBondContact N-O 3.3Å; A86-G106 PolarHBondContact O-N 3.04Å |
| 107 | N | 94.9 | Very high | 90.1 | Very high | 70 Ų | 70 | 70.1 Ų | 70.1 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 122 | 168.3 | -170.3 | -67 | 0 | 0 | 0 | 108.6 | K83 N85 Q109 | K83-N107 PolarHBondContact O-ND2 3.04Å; K83-N107 VanDerWaalsContact O-ND2 3.13Å; N85-N107 PolarHBondContact OD1-ND2 2.92Å; N107-Q109 WeakPolarHBondContact OD1-CB 3.33Å; N107-Q109 PolarHBondContact OD1-N 3Å |
| 108 | V | 95.1 | Very high | 90.7 | Very high | 6 Ų | 6 | 69.5 Ų | 69.5 | 4% | 0.036 | 35% | 0.345 | C | S | . | . | trans | -101.8 | 12.5 | -173.8 | -62.3 | 0 | 0 | 0 | 0 | 113.3 | L80 Y84 A86 L133 L135 K141 I143 A154 | L80-V108 HydrophobicContact CD1-CG2 3.91Å; Y84-V108 WeakPolarHBondContact O-CG2 3.37Å; Y84-V108 PolarHBondContact O-N 3.38Å; A86-V108 HydrophobicContact CB-CG1 4.16Å; A86-V108 HydrophobicContact CB-CG2 4.41Å; V108-L133 HydrophobicContact CG2-CD1 3.96Å; V108-L135 HydrophobicContact CG2-CD1 3.9Å; V108-K141 HydrophobicContact CB-CD 3.88Å; V108-K141 HydrophobicContact CG2-CD 4.34Å; V108-K141 WeakPolarHBondContact O-CD 3.32Å; V108-K141 WeakPolarHBondContact O-CE 3.35Å; V108-K141 PolarHBondContact O-NZ 2.88Å; V108-I143 HydrophobicContact CG1-CD1 4.07Å; V108-A154 HydrophobicContact CB-CB 4.43Å; V108-A154 HydrophobicContact CG1-CB 4.05Å | ||
| 109 | Q | 93.3 | Very high | 91 | Very high | 98 Ų | 98 | 69.3 Ų | 69.3 | 46% | 0.458 | 35% | 0.353 | S | S | . | . | trans | -61.4 | 135.3 | 177.5 | -170.8 | 173.7 | 0.9 | 0 | 0 | 111.6 | Y84 N107 Y136 | Y84-Q109 HydrophobicContact CD2-CB 3.75Å; Y84-Q109 HydrophobicContact CD2-CG 3.6Å; Y84-Q109 HydrophobicContact CE2-CG 4.06Å; Y84-Q109 HydrophobicContact CG-CB 4.09Å; Y84-Q109 HydrophobicContact CG-CG 4.38Å; N107-Q109 WeakPolarHBondContact OD1-CB 3.33Å; N107-Q109 PolarHBondContact OD1-N 3Å; Q109-Y136 WeakPolarHBondContact CG-OH 3.38Å | ||
| 110 | D | 90.6 | Very high | 91.3 | Very high | 35 Ų | 35 | 66.9 Ų | 66.9 | 19% | 0.187 | 34% | 0.339 | C | S | . | . | trans | -87.4 | 146.1 | 167.3 | -71 | -49.4 | 0 | 0 | 0 | 110.9 | I112 Y136 K141 N156 | D110-I112 VanDerWaalsContact C-N 3.29Å; D110-I112 PolarHBondContact O-N 2.85Å; D110-Y136 HydrophobicContact CB-CD2 4.23Å; D110-Y136 HydrophobicContact CB-CE2 3.61Å; D110-Y136 PolarHBondContact N-OH 3.29Å; D110-Y136 WeakPolarHBondContact OD2-CD2 3.38Å; D110-Y136 VanDerWaalsContact OD2-CE2 3.22Å; D110-Y136 WeakPolarHBondContact OD2-CE2 3.33Å; D110-K141 IonicContact OD1-NZ 3.56Å; D110-K141 PolarHBondContact OD1-NZ 2.85Å; D110-K141 VanDerWaalsContact OD2-CE 3.27Å; D110-K141 WeakPolarHBondContact OD2-CE 3.36Å; D110-K141 IonicContact OD2-NZ 2.75Å; D110-K141 PolarHBondContact OD2-NZ 3.01Å; D110-N156 VanDerWaalsContact CG-ND2 3.26Å; D110-N156 PolarHBondContact OD1-ND2 3.14Å; D110-N156 PolarHBondContact OD2-ND2 3.04Å | ||
| 111 | R | 82.9 | Confident | 91.5 | Very high | 251 Ų | 251 | 66.9 Ų | 66.9 | 95% | 0.947 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -69 | -29.5 | 176.8 | -66.9 | -176.9 | -179.4 | -178.8 | -0.5 | 113 | ||
| 112 | I | 81.5 | Confident | 91.7 | Very high | 155 Ų | 155 | 64 Ų | 64 | 80% | 0.795 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -138.4 | 121.9 | -176.6 | -55.2 | 173.7 | 0 | 0 | 0 | 106.7 | D110 | D110-I112 VanDerWaalsContact C-N 3.29Å; D110-I112 PolarHBondContact O-N 2.85Å |
| 113 | G | 81.3 | Confident | 91.8 | Very high | 35 Ų | 35 | 63.4 Ų | 63.4 | 36% | 0.361 | 32% | 0.322 | S | S | . | . | trans | 172.2 | 141.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109 | P115 | G113-P115 WeakPolarHBondContact O-CD 3.32Š| ||
| 114 | R | 88.9 | Confident | 91.9 | Very high | 150 Ų | 150 | 61.4 Ų | 61.4 | 57% | 0.566 | 32% | 0.316 | S | S | * | . | trans | -79 | 115.8 | 171.2 | -178.2 | -179.5 | -178.3 | -175.1 | 3.9 | 107.4 | S116 E117 Y136 D137 | R114-S116 PolarHBondContact O-N 3.37Å; R114-E117 IonicContact CZ-OE1 3.55Å; R114-E117 IonicContact NE-OE1 3.6Å; R114-E117 IonicContact NH2-OE1 3.56Å; R114-E117 PolarHBondContact NH2-OE1 2.78Å; R114-E117 IonicContact NH2-OE2 2.7Å; R114-Y136 CarbonylContact O-C 3.46Å; R114-Y136 WeakPolarHBondContact O-CA 3.37Å; R114-Y136 WeakPolarHBondContact O-CB 3.26Å; R114-D137 WeakPolarHBondContact CD-OD2 3.47Å; R114-D137 IonicContact NE-OD2 2.77Å; R114-D137 PolarHBondContact O-N 3.23Å | ||
| 115 | P | 90.3 | Very high | 92 | Very high | 75 Ų | 75 | 61.2 Ų | 61.2 | 49% | 0.487 | 31% | 0.314 | S | S | . | . | B | Isolated β-bridge | trans | -55 | 140 | 174.1 | -23 | 34.3 | 0 | 0 | 0 | 109.4 | G113 | G113-P115 WeakPolarHBondContact O-CD 3.32Å |
| 116 | S | 90.3 | Very high | 91.9 | Very high | 14 Ų | 14 | 60.9 Ų | 60.9 | 10% | 0.098 | 32% | 0.317 | C | S | . | . | trans | -78.3 | 132.5 | -171.7 | -168.3 | 0 | 0 | 0 | 0 | 112 | R114 T118 G119 R134 L135 D137 | R114-S116 PolarHBondContact O-N 3.37Å; S116-T118 VanDerWaalsContact C-N 3.27Å; S116-T118 PolarHBondContact O-N 3.31Å; S116-G119 PolarHBondContact O-N 2.84Å; S116-R134 PolarHBondContact OG-NH1 3.42Å; S116-L135 PolarHBondContact N-O 3.07Å; S116-L135 VanDerWaalsContact N-O 3.09Å; S116-D137 WeakPolarHBondContact CA-OD1 3.07Å; S116-D137 VanDerWaalsContact CB-OD1 3.22Å; S116-D137 WeakPolarHBondContact CB-OD1 3.41Å; S116-D137 PolarHBondContact OG-OD1 2.9Å | ||
| 117 | E | 87.2 | Confident | 91.9 | Very high | 133 Ų | 133 | 64.1 Ų | 64.1 | 62% | 0.621 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -22.6 | -172.6 | -65.4 | -179.2 | 164.8 | 0 | 0 | 112.8 | R114 G119 | R114-E117 IonicContact CZ-OE1 3.55Å; R114-E117 IonicContact NE-OE1 3.6Å; R114-E117 IonicContact NH2-OE1 3.56Å; R114-E117 PolarHBondContact NH2-OE1 2.78Å; R114-E117 IonicContact NH2-OE2 2.7Å; E117-G119 PolarHBondContact O-N 2.89Å |
| 118 | T | 89.7 | Confident | 91.9 | Very high | 47 Ų | 47 | 61.8 Ų | 61.8 | 29% | 0.288 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 14.6 | 176.4 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | S116 R134 V164 | S116-T118 VanDerWaalsContact C-N 3.27Å; S116-T118 PolarHBondContact O-N 3.31Å; T118-R134 PolarHBondContact O-NH2 2.97Å; T118-R134 PolarHBondContact OG1-NH1 3.31Å; T118-R134 PolarHBondContact OG1-NH2 3.42Å; T118-R134 VanDerWaalsContact OG1-NH2 3.12Å; T118-V164 PolarHBondContact OG1-O 2.69Å |
| 119 | G | 91.4 | Very high | 91.9 | Very high | 35 Ų | 35 | 63.8 Ų | 63.8 | 36% | 0.361 | 32% | 0.323 | S | S | . | . | trans | 99.5 | -162 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | S116 E117 R134 | S116-G119 PolarHBondContact O-N 2.84Å; E117-G119 PolarHBondContact O-N 2.89Å; G119-R134 PolarHBondContact O-NH1 2.81Å | ||
| 120 | I | 95.7 | Very high | 92.1 | Very high | 47 Ų | 47 | 59.1 Ų | 59.1 | 24% | 0.241 | 30% | 0.301 | C | S | . | . | trans | -109.9 | 126.5 | 174.5 | -70.6 | 173.6 | 0 | 0 | 0 | 107.6 | A62 V63 L80 Y84 L135 | A62-I120 HydrophobicContact CB-CB 4.33Å; A62-I120 HydrophobicContact CB-CD1 4.12Å; A62-I120 HydrophobicContact CB-CG2 4.21Å; V63-I120 HydrophobicContact CG2-CG2 3.86Å; L80-I120 HydrophobicContact CD2-CG2 3.46Å; L80-I120 VanDerWaalsContact CD2-CG2 3.46Å; L80-I120 HydrophobicContact CG-CG2 4.42Å; Y84-I120 HydrophobicContact CE1-CD1 4.06Å; I120-L135 HydrophobicContact CG2-CD2 3.74Å | ||
| 121 | I | 96.7 | Very high | 92.4 | Very high | 23 Ų | 23 | 57.4 Ų | 57.4 | 12% | 0.118 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132.9 | 172.7 | -63.7 | 172.6 | 0 | 0 | 0 | 109 | I123 L133 R134 | I121-I123 HydrophobicContact CG2-CG2 3.97Å; I121-L133 CarbonylContact O-C 3.52Å; I121-L133 WeakPolarHBondContact O-CA 3.37Å; I121-R134 HydrophobicContact CB-CB 4.25Å; I121-R134 VanDerWaalsContact CG1-NH2 3.3Å; I121-R134 PolarHBondContact N-O 3.25Å; I121-R134 VanDerWaalsContact N-O 3.16Å; I121-R134 PolarHBondContact O-N 2.91Å |
| 122 | G | 97.5 | Very high | 93.1 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 132.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110 | G132 | G122-G132 WeakPolarHBondContact CA-O 3.42Å |
| 123 | I | 97.8 | Very high | 93.9 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 146.1 | -177 | 50.7 | 170 | 0 | 0 | 0 | 110.1 | I121 I131 G132 F140 V167 K168 F169 I178 | I121-I123 HydrophobicContact CG2-CG2 3.97Å; I123-I131 CarbonylContact O-C 3.51Å; I123-I131 WeakPolarHBondContact O-CA 3.42Å; I123-I131 WeakPolarHBondContact O-CG2 3.45Å; I123-G132 VanDerWaalsContact CG1-O 3.29Å; I123-G132 WeakPolarHBondContact CG1-O 3.07Å; I123-G132 PolarHBondContact N-O 2.78Å; I123-G132 PolarHBondContact O-N 2.83Å; I123-F140 HydrophobicContact CD1-CE2 4.41Å; I123-F140 HydrophobicContact CD1-CZ 4.37Å; I123-V167 HydrophobicContact CD1-CB 4.2Å; I123-V167 HydrophobicContact CD1-CG1 3.6Å; I123-V167 VanDerWaalsContact CG2-O 3.3Å; I123-V167 WeakPolarHBondContact CG2-O 3.47Å; I123-K168 HydrophobicContact CG2-CD 3.96Å; I123-F169 HydrophobicContact CB-CD2 4.03Å; I123-F169 HydrophobicContact CB-CE2 4.37Å; I123-F169 HydrophobicContact CD1-CD2 3.55Å; I123-F169 HydrophobicContact CD1-CE2 3.72Å; I123-F169 HydrophobicContact CD1-CG 4.18Å; I123-F169 HydrophobicContact CD1-CZ 4.45Å; I123-F169 HydrophobicContact CG1-CD2 3.71Å; I123-F169 HydrophobicContact CG1-CE2 3.67Å; I123-I178 HydrophobicContact CD1-CG2 4.24Å |
| 124 | I | 97.6 | Very high | 94.6 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 14% | 0.138 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 132 | 178.3 | -53.5 | -174 | 0 | 0 | 0 | 108.3 | E65 F67 F78 I131 L145 F169 | E65-I124 HydrophobicContact CB-CD1 3.68Å; E65-I124 HydrophobicContact CB-CG1 4.13Å; F67-I124 HydrophobicContact CB-CD1 3.84Å; F67-I124 HydrophobicContact CB-CG2 3.95Å; F67-I124 HydrophobicContact CD1-CD1 3.44Å; F67-I124 VanDerWaalsContact CD1-CD1 3.44Å; F67-I124 HydrophobicContact CD2-CG2 4.43Å; F67-I124 HydrophobicContact CE1-CD1 4.16Å; F67-I124 HydrophobicContact CG-CD1 3.73Å; F67-I124 HydrophobicContact CG-CG2 4.21Å; F78-I124 HydrophobicContact CB-CD1 3.88Å; F78-I124 HydrophobicContact CG-CD1 4.46Å; I124-I131 HydrophobicContact CG1-CG1 4.21Å; I124-L145 HydrophobicContact CG2-CD1 4.13Å; I124-F169 VanDerWaalsContact C-CD2 3.49Å |
| 125 | D | 97.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | trans | -60.9 | 132.5 | 173.5 | 170.3 | 77.9 | 0 | 0 | 0 | 110 | E127 C128 R129 M130 F169 | D125-E127 PolarHBondContact O-N 3.47Å; D125-E127 VanDerWaalsContact O-N 3.07Å; D125-E127 WeakPolarHBondContact OD2-CB 3.48Å; D125-E127 PolarHBondContact OD2-N 3.05Å; D125-E127 VanDerWaalsContact OD2-N 3.15Å; D125-C128 WeakPolarHBondContact O-CA 3.44Å; D125-C128 PolarHBondContact O-N 2.83Å; D125-C128 PolarHBondContact OD2-N 2.99Å; D125-R129 VanDerWaalsContact CG-NE 3.35Å; D125-R129 IonicContact OD1-CZ 3.15Å; D125-R129 IonicContact OD1-NE 3.94Å; D125-R129 PolarHBondContact OD1-NE 2.88Å; D125-R129 IonicContact OD1-NH2 3.32Å; D125-R129 PolarHBondContact OD1-NH2 3Å; D125-R129 WeakPolarHBondContact OD2-CB 3.42Å; D125-R129 WeakPolarHBondContact OD2-CG 3.27Å; D125-R129 IonicContact OD2-CZ 2.92Å; D125-R129 PolarHBondContact OD2-N 2.88Å; D125-R129 VanDerWaalsContact OD2-N 3.16Å; D125-R129 IonicContact OD2-NE 2.7Å; D125-R129 PolarHBondContact OD2-NE 2.79Å; D125-R129 IonicContact OD2-NH2 2.8Å; D125-M130 HydrophobicContact CB-CG 4.03Å; D125-M130 WeakPolarHBondContact CB-O 3.48Å; D125-M130 PolarHBondContact N-O 3.44Å; D125-F169 HydrophobicContact CB-CD1 4.24Å; D125-F169 HydrophobicContact CB-CD2 4.06Å; D125-F169 HydrophobicContact CB-CE1 4.39Å; D125-F169 HydrophobicContact CB-CE2 4.2Å; D125-F169 HydrophobicContact CB-CG 4.09Å; D125-F169 HydrophobicContact CB-CZ 4.38Å; D125-F169 VanDerWaalsContact N-CD2 3.32Å | ||
| 126 | P | 95 | Very high | 95.1 | Very high | 49 Ų | 49 | 26.4 Ų | 26.4 | 32% | 0.318 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -27.7 | -176.4 | -30.6 | 36 | 0 | 0 | 0 | 115.2 | C128 F169 Y171 | P126-C128 VanDerWaalsContact C-N 3.25Å; P126-C128 PolarHBondContact O-N 2.96Å; P126-F169 HydrophobicContact CG-CB 4.48Å; P126-Y171 HydrophobicContact CB-CD1 3.53Å; P126-Y171 HydrophobicContact CB-CE1 3.61Å; P126-Y171 HydrophobicContact CB-CG 4.39Å; P126-Y171 HydrophobicContact CG-CD1 3.6Å; P126-Y171 HydrophobicContact CG-CD2 4.5Å; P126-Y171 HydrophobicContact CG-CE1 3.66Å; P126-Y171 HydrophobicContact CG-CG 4.03Å |
| 127 | E | 94.6 | Very high | 95.2 | Very high | 85 Ų | 85 | 27.2 Ų | 27.2 | 40% | 0.397 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 8.5 | 175.6 | -58.9 | -167.4 | 155.5 | 0 | 0 | 113.2 | D125 R129 | D125-E127 PolarHBondContact O-N 3.47Å; D125-E127 VanDerWaalsContact O-N 3.07Å; D125-E127 WeakPolarHBondContact OD2-CB 3.48Å; D125-E127 PolarHBondContact OD2-N 3.05Å; D125-E127 VanDerWaalsContact OD2-N 3.15Å; E127-R129 VanDerWaalsContact C-N 3.26Å; E127-R129 HydrophobicContact CB-CG 3.96Å; E127-R129 PolarHBondContact O-N 3.1Å; E127-R129 WeakPolarHBondContact OE2-CD 3.49Å; E127-R129 IonicContact OE2-CZ 2.71Å; E127-R129 IonicContact OE2-NE 2.89Å; E127-R129 PolarHBondContact OE2-NE 2.81Å; E127-R129 IonicContact OE2-NH1 3.47Å; E127-R129 PolarHBondContact OE2-NH1 2.85Å |
| 128 | C | 95.1 | Very high | 95.5 | Very high | 22 Ų | 22 | 21.4 Ų | 21.4 | 15% | 0.149 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 56.7 | 34.5 | -177.2 | -60.5 | 0 | 0 | 0 | 0 | 113.4 | F67 R68 D125 P126 L145 | F67-C128 HydrophobicContact CD2-CB 4.36Å; R68-C128 PolarHBondContact O-SG 3.27Å; R68-C128 VanDerWaalsContact O-SG 3.33Å; D125-C128 WeakPolarHBondContact O-CA 3.44Å; D125-C128 PolarHBondContact O-N 2.83Å; D125-C128 PolarHBondContact OD2-N 2.99Å; P126-C128 VanDerWaalsContact C-N 3.25Å; P126-C128 PolarHBondContact O-N 2.96Å; C128-L145 HydrophobicContact CB-CD1 4.38Å; C128-L145 WeakPolarHBondContact O-CB 3.33Å; C128-L145 WeakPolarHBondContact O-CD1 3.36Å |
| 129 | R | 95.1 | Very high | 95.8 | Very high | 47 Ų | 47 | 21.1 Ų | 21.1 | 18% | 0.177 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -78.4 | -34.6 | 179.8 | -63.2 | 171.5 | -69.4 | -161.4 | 4.7 | 112.5 | D125 E127 L145 C173 Q174 P176 | D125-R129 VanDerWaalsContact CG-NE 3.35Å; D125-R129 IonicContact OD1-CZ 3.15Å; D125-R129 IonicContact OD1-NE 3.94Å; D125-R129 PolarHBondContact OD1-NE 2.88Å; D125-R129 IonicContact OD1-NH2 3.32Å; D125-R129 PolarHBondContact OD1-NH2 3Å; D125-R129 WeakPolarHBondContact OD2-CB 3.42Å; D125-R129 WeakPolarHBondContact OD2-CG 3.27Å; D125-R129 IonicContact OD2-CZ 2.92Å; D125-R129 PolarHBondContact OD2-N 2.88Å; D125-R129 VanDerWaalsContact OD2-N 3.16Å; D125-R129 IonicContact OD2-NE 2.7Å; D125-R129 PolarHBondContact OD2-NE 2.79Å; D125-R129 IonicContact OD2-NH2 2.8Å; E127-R129 VanDerWaalsContact C-N 3.26Å; E127-R129 HydrophobicContact CB-CG 3.96Å; E127-R129 PolarHBondContact O-N 3.1Å; E127-R129 WeakPolarHBondContact OE2-CD 3.49Å; E127-R129 IonicContact OE2-CZ 2.71Å; E127-R129 IonicContact OE2-NE 2.89Å; E127-R129 PolarHBondContact OE2-NE 2.81Å; E127-R129 IonicContact OE2-NH1 3.47Å; E127-R129 PolarHBondContact OE2-NH1 2.85Å; R129-L145 PolarHBondContact O-N 2.8Å; R129-L145 VanDerWaalsContact O-N 3.14Å; R129-C173 PolarHBondContact NH1-O 3.04Å; R129-C173 PolarHBondContact NH2-O 3.48Å; R129-Q174 PolarHBondContact NH1-O 3Å; R129-P176 HydrophobicContact CB-CG 4.27Å; R129-P176 VanDerWaalsContact NH2-CA 3.31Å |
| 130 | M | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 162.9 | -177 | 63.9 | 176.3 | 60 | 0 | 0 | 111.9 | D125 V142 I143 F169 P176 V195 L197 | D125-M130 HydrophobicContact CB-CG 4.03Å; D125-M130 WeakPolarHBondContact CB-O 3.48Å; D125-M130 PolarHBondContact N-O 3.44Å; M130-V142 HydrophobicContact CB-CG1 4.04Å; M130-V142 HydrophobicContact CE-CG1 4.05Å; M130-V142 HydrophobicContact CG-CG1 4.47Å; M130-V142 HydrophobicContact SD-CG1 3.81Å; M130-I143 CarbonylContact C-O 3.52Å; M130-I143 WeakPolarHBondContact CA-O 3.37Å; M130-F169 HydrophobicContact CG-CE1 4.25Å; M130-F169 HydrophobicContact CG-CE2 4.34Å; M130-F169 HydrophobicContact CG-CZ 3.7Å; M130-F169 HydrophobicContact SD-CE1 3.86Å; M130-F169 HydrophobicContact SD-CZ 3.57Å; M130-F169 VanDerWaalsContact SD-CZ 3.57Å; M130-P176 HydrophobicContact CE-CB 3.79Å; M130-P176 HydrophobicContact CE-CG 3.57Å; M130-P176 HydrophobicContact CG-CB 4.34Å; M130-P176 HydrophobicContact SD-CB 3.84Å; M130-P176 HydrophobicContact SD-CG 4.26Å; M130-V195 HydrophobicContact CE-CB 4.07Å; M130-V195 HydrophobicContact CE-CG1 3.77Å; M130-V195 HydrophobicContact SD-CB 4.07Å; M130-V195 HydrophobicContact SD-CG1 3.84Å; M130-V195 HydrophobicContact SD-CG2 4.39Å; M130-L197 HydrophobicContact CE-CD1 3.69Å; M130-L197 HydrophobicContact CE-CD2 3.38Å; M130-L197 HydrophobicContact CE-CG 3.28Å |
| 131 | I | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 131.2 | 161.8 | -52.3 | 179.8 | 0 | 0 | 0 | 107.7 | F78 I123 I124 L133 V142 I143 L145 | F78-I131 HydrophobicContact CB-CD1 4.31Å; F78-I131 HydrophobicContact CD1-CD1 4.15Å; F78-I131 HydrophobicContact CD1-CG2 4.31Å; F78-I131 HydrophobicContact CD2-CD1 3.34Å; F78-I131 HydrophobicContact CE1-CD1 4.32Å; F78-I131 HydrophobicContact CE1-CG2 3.84Å; F78-I131 HydrophobicContact CE2-CD1 3.52Å; F78-I131 HydrophobicContact CE2-CG2 4.47Å; F78-I131 HydrophobicContact CG-CD1 3.67Å; F78-I131 HydrophobicContact CZ-CD1 4.03Å; F78-I131 HydrophobicContact CZ-CG2 3.93Å; I123-I131 CarbonylContact O-C 3.51Å; I123-I131 WeakPolarHBondContact O-CA 3.42Å; I123-I131 WeakPolarHBondContact O-CG2 3.45Å; I124-I131 HydrophobicContact CG1-CG1 4.21Å; I131-L133 HydrophobicContact CG2-CD2 3.73Å; I131-L133 HydrophobicContact CG2-CG 4.23Å; I131-V142 WeakPolarHBondContact O-CA 3.37Å; I131-I143 HydrophobicContact CB-CB 4.2Å; I131-I143 PolarHBondContact N-O 3.05Å; I131-I143 PolarHBondContact O-N 2.84Å; I131-L145 HydrophobicContact CD1-CD2 3.82Å; I131-L145 HydrophobicContact CD1-CG 4.48Å; I131-L145 HydrophobicContact CG1-CD1 3.92Å; I131-L145 HydrophobicContact CG1-CD2 3.81Å; I131-L145 HydrophobicContact CG1-CG 3.91Å |
| 132 | G | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 132.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | G122 I123 F140 K141 | G122-G132 WeakPolarHBondContact CA-O 3.42Å; I123-G132 VanDerWaalsContact CG1-O 3.29Å; I123-G132 WeakPolarHBondContact CG1-O 3.07Å; I123-G132 PolarHBondContact N-O 2.78Å; I123-G132 PolarHBondContact O-N 2.83Å; G132-F140 VanDerWaalsContact CA-CZ 3.42Å; G132-K141 CarbonylContact C-O 3.54Å |
| 133 | L | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 130.3 | -177.2 | -56.5 | -179.5 | 0 | 0 | 0 | 110.1 | F78 L80 V108 I121 I131 L135 K141 I143 | F78-L133 HydrophobicContact CE1-CD2 4.07Å; F78-L133 HydrophobicContact CZ-CD2 4.07Å; L80-L133 HydrophobicContact CD2-CD1 4.33Å; L80-L133 HydrophobicContact CD2-CD2 4.06Å; V108-L133 HydrophobicContact CG2-CD1 3.96Å; I121-L133 CarbonylContact O-C 3.52Å; I121-L133 WeakPolarHBondContact O-CA 3.37Å; I131-L133 HydrophobicContact CG2-CD2 3.73Å; I131-L133 HydrophobicContact CG2-CG 4.23Å; L133-L135 HydrophobicContact CB-CD1 4.39Å; L133-L135 HydrophobicContact CB-CD2 4.02Å; L133-L135 HydrophobicContact CB-CG 3.97Å; L133-L135 HydrophobicContact CD1-CD1 4.3Å; L133-K141 HydrophobicContact CB-CB 4.17Å; L133-K141 HydrophobicContact CD1-CD 4.47Å; L133-K141 PolarHBondContact N-O 2.89Å; L133-K141 PolarHBondContact O-N 2.99Å; L133-I143 HydrophobicContact CD1-CD1 3.78Å; L133-I143 HydrophobicContact CD1-CG1 4.42Å |
| 134 | R | 95.9 | Very high | 96 | Very high | 5 Ų | 5 | 18.5 Ų | 18.5 | 2% | 0.019 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 100.3 | 169.1 | -169.6 | -86.8 | -63.5 | 163.4 | 8 | 107.7 | S116 T118 G119 I121 | S116-R134 PolarHBondContact OG-NH1 3.42Å; T118-R134 PolarHBondContact O-NH2 2.97Å; T118-R134 PolarHBondContact OG1-NH1 3.31Å; T118-R134 PolarHBondContact OG1-NH2 3.42Å; T118-R134 VanDerWaalsContact OG1-NH2 3.12Å; G119-R134 PolarHBondContact O-NH1 2.81Å; I121-R134 HydrophobicContact CB-CB 4.25Å; I121-R134 VanDerWaalsContact CG1-NH2 3.3Å; I121-R134 PolarHBondContact N-O 3.25Å; I121-R134 VanDerWaalsContact N-O 3.16Å; I121-R134 PolarHBondContact O-N 2.91Å |
| 135 | L | 95.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | -32.3 | -175.7 | -50.7 | -176.3 | 0 | 0 | 0 | 112.2 | L80 Y84 V108 S116 I120 L133 K141 | L80-L135 HydrophobicContact CD2-CD2 3.66Å; Y84-L135 HydrophobicContact CD1-CD1 3.92Å; Y84-L135 HydrophobicContact CD1-CD2 4.35Å; Y84-L135 HydrophobicContact CE1-CB 4.19Å; Y84-L135 HydrophobicContact CE1-CD1 4.39Å; Y84-L135 HydrophobicContact CE1-CD2 4.47Å; V108-L135 HydrophobicContact CG2-CD1 3.9Å; S116-L135 PolarHBondContact N-O 3.07Å; S116-L135 VanDerWaalsContact N-O 3.09Å; I120-L135 HydrophobicContact CG2-CD2 3.74Å; L133-L135 HydrophobicContact CB-CD1 4.39Å; L133-L135 HydrophobicContact CB-CD2 4.02Å; L133-L135 HydrophobicContact CB-CG 3.97Å; L133-L135 HydrophobicContact CD1-CD1 4.3Å; L135-K141 HydrophobicContact CD1-CD 3.83Å |
| 136 | Y | 95.1 | Very high | 95.3 | Very high | 8 Ų | 8 | 23.2 Ų | 23.2 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 150.4 | -173.8 | -56.2 | -78.4 | 0 | 0 | 0 | 110.2 | Q109 D110 R114 G138 L139 | Q109-Y136 WeakPolarHBondContact CG-OH 3.38Å; D110-Y136 HydrophobicContact CB-CD2 4.23Å; D110-Y136 HydrophobicContact CB-CE2 3.61Å; D110-Y136 PolarHBondContact N-OH 3.29Å; D110-Y136 WeakPolarHBondContact OD2-CD2 3.38Å; D110-Y136 VanDerWaalsContact OD2-CE2 3.22Å; D110-Y136 WeakPolarHBondContact OD2-CE2 3.33Å; R114-Y136 CarbonylContact O-C 3.46Å; R114-Y136 WeakPolarHBondContact O-CA 3.37Å; R114-Y136 WeakPolarHBondContact O-CB 3.26Å; Y136-G138 PolarHBondContact O-N 2.94Å; Y136-L139 HydrophobicContact CD2-CD1 4.44Å; Y136-L139 PolarHBondContact O-N 3.04Å |
| 137 | D | 92.3 | Very high | 94.4 | Very high | 30 Ų | 30 | 28.4 Ų | 28.4 | 16% | 0.16 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 135.3 | 175.2 | -66.3 | -15.6 | 0 | 0 | 0 | 110.8 | R114 S116 L139 | R114-D137 WeakPolarHBondContact CD-OD2 3.47Å; R114-D137 IonicContact NE-OD2 2.77Å; R114-D137 PolarHBondContact O-N 3.23Å; S116-D137 WeakPolarHBondContact CA-OD1 3.07Å; S116-D137 VanDerWaalsContact CB-OD1 3.22Å; S116-D137 WeakPolarHBondContact CB-OD1 3.41Å; S116-D137 PolarHBondContact OG-OD1 2.9Å; D137-L139 PolarHBondContact O-N 3.43Å |
| 138 | G | 93.4 | Very high | 93.8 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 11% | 0.113 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 8.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y136 L159 | Y136-G138 PolarHBondContact O-N 2.94Å; G138-L159 CarbonylContact C-O 3.55Å; G138-L159 VanDerWaalsContact CA-O 3.28Å; G138-L159 WeakPolarHBondContact CA-O 3.2Å; G138-L159 PolarHBondContact O-N 2.89Å |
| 139 | L | 95 | Very high | 93.3 | Very high | 42 Ų | 42 | 33.7 Ų | 33.7 | 22% | 0.22 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 130.8 | 178 | -59.7 | 177.5 | 0 | 0 | 0 | 111.5 | Y136 D137 N156 | Y136-L139 HydrophobicContact CD2-CD1 4.44Å; Y136-L139 PolarHBondContact O-N 3.04Å; D137-L139 PolarHBondContact O-N 3.43Å; L139-N156 HydrophobicContact CD2-CB 4.26Å |
| 140 | F | 96.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 115.1 | 165.3 | -173.3 | -107 | 0 | 0 | 0 | 109.1 | I123 G132 V142 I157 V167 F169 I178 V195 F202 | I123-F140 HydrophobicContact CD1-CE2 4.41Å; I123-F140 HydrophobicContact CD1-CZ 4.37Å; G132-F140 VanDerWaalsContact CA-CZ 3.42Å; F140-V142 HydrophobicContact CD1-CG2 3.62Å; F140-V142 HydrophobicContact CE1-CG2 3.71Å; F140-I157 PolarHBondContact N-O 3.04Å; F140-I157 PolarHBondContact O-N 3.46Å; F140-V167 HydrophobicContact CE2-CG1 4.21Å; F140-F169 HydrophobicContact CE1-CZ 4.47Å; F140-F169 HydrophobicContact CZ-CZ 4.14Å; F140-I178 HydrophobicContact CE1-CG2 4.31Å; F140-I178 HydrophobicContact CE2-CD1 4.46Å; F140-I178 HydrophobicContact CE2-CG2 4.42Å; F140-I178 HydrophobicContact CZ-CD1 4.47Å; F140-I178 HydrophobicContact CZ-CG2 3.79Å; F140-V195 HydrophobicContact CE1-CG2 4.36Å; F140-F202 HydrophobicContact CB-CE2 3.89Å; F140-F202 HydrophobicContact CB-CZ 3.44Å; F140-F202 VanDerWaalsContact CB-CZ 3.44Å; F140-F202 AromaticContact CD1-CE1 3.94Å; F140-F202 HydrophobicContact CD1-CE1 3.94Å; F140-F202 AromaticContact CD1-CZ 3.57Å; F140-F202 HydrophobicContact CD1-CZ 3.57Å; F140-F202 HydrophobicContact CE1-CE1 4.44Å; F140-F202 HydrophobicContact CE1-CZ 4.43Å; F140-F202 HydrophobicContact CG-CE1 4.4Å; F140-F202 AromaticContact CG-CZ 3.63Å; F140-F202 HydrophobicContact CG-CZ 3.63Å |
| 141 | K | 96.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 3% | 0.03 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 129.6 | -175.3 | -178.2 | 179.7 | -59.8 | -77.5 | 0 | 109.8 | V108 D110 G132 L133 L135 A154 F155 N156 | V108-K141 HydrophobicContact CB-CD 3.88Å; V108-K141 HydrophobicContact CG2-CD 4.34Å; V108-K141 WeakPolarHBondContact O-CD 3.32Å; V108-K141 WeakPolarHBondContact O-CE 3.35Å; V108-K141 PolarHBondContact O-NZ 2.88Å; D110-K141 IonicContact OD1-NZ 3.56Å; D110-K141 PolarHBondContact OD1-NZ 2.85Å; D110-K141 VanDerWaalsContact OD2-CE 3.27Å; D110-K141 WeakPolarHBondContact OD2-CE 3.36Å; D110-K141 IonicContact OD2-NZ 2.75Å; D110-K141 PolarHBondContact OD2-NZ 3.01Å; G132-K141 CarbonylContact C-O 3.54Å; L133-K141 HydrophobicContact CB-CB 4.17Å; L133-K141 HydrophobicContact CD1-CD 4.47Å; L133-K141 PolarHBondContact N-O 2.89Å; L133-K141 PolarHBondContact O-N 2.99Å; L135-K141 HydrophobicContact CD1-CD 3.83Å; K141-A154 HydrophobicContact CD-CB 3.82Å; K141-A154 HydrophobicContact CG-CB 3.72Å; K141-F155 CarbonylContact C-O 3.58Å; K141-F155 WeakPolarHBondContact CA-O 3.18Å; K141-N156 WeakPolarHBondContact CE-OD1 3.47Å; K141-N156 WeakPolarHBondContact CG-OD1 3.39Å; K141-N156 PolarHBondContact NZ-OD1 3.15Å |
| 142 | V | 98 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 129.1 | -174.3 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | M130 I131 F140 A154 F155 I157 V195 L197 | M130-V142 HydrophobicContact CB-CG1 4.04Å; M130-V142 HydrophobicContact CE-CG1 4.05Å; M130-V142 HydrophobicContact CG-CG1 4.47Å; M130-V142 HydrophobicContact SD-CG1 3.81Å; I131-V142 WeakPolarHBondContact O-CA 3.37Å; F140-V142 HydrophobicContact CD1-CG2 3.62Å; F140-V142 HydrophobicContact CE1-CG2 3.71Å; V142-A154 CarbonylContact O-C 3.52Å; V142-A154 VanDerWaalsContact O-CA 3.25Å; V142-A154 WeakPolarHBondContact O-CA 3.31Å; V142-F155 HydrophobicContact CB-CD1 4.46Å; V142-F155 HydrophobicContact CB-CE1 3.96Å; V142-F155 HydrophobicContact CB-CE2 4.01Å; V142-F155 HydrophobicContact CB-CZ 3.71Å; V142-F155 HydrophobicContact CG1-CE1 3.92Å; V142-F155 HydrophobicContact CG1-CZ 3.76Å; V142-F155 HydrophobicContact CG2-CE2 4.38Å; V142-F155 HydrophobicContact CG2-CZ 4.38Å; V142-F155 PolarHBondContact N-O 2.79Å; V142-F155 PolarHBondContact O-N 3.42Å; V142-I157 HydrophobicContact CG2-CD1 3.75Å; V142-I157 HydrophobicContact CG2-CG1 4.18Å; V142-V195 HydrophobicContact CG2-CG1 4.2Å; V142-L197 HydrophobicContact CG1-CD2 4.04Å |
| 143 | I | 96.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 105.5 | 168.7 | -54.6 | 169.7 | 0 | 0 | 0 | 107.3 | V108 M130 I131 L133 L145 L152 A154 | V108-I143 HydrophobicContact CG1-CD1 4.07Å; M130-I143 CarbonylContact C-O 3.52Å; M130-I143 WeakPolarHBondContact CA-O 3.37Å; I131-I143 HydrophobicContact CB-CB 4.2Å; I131-I143 PolarHBondContact N-O 3.05Å; I131-I143 PolarHBondContact O-N 2.84Å; L133-I143 HydrophobicContact CD1-CD1 3.78Å; L133-I143 HydrophobicContact CD1-CG1 4.42Å; I143-L145 PolarHBondContact O-N 2.74Å; I143-L152 HydrophobicContact CG2-CB 4.17Å; I143-L152 HydrophobicContact CG2-CD2 4.09Å; I143-A154 HydrophobicContact CG1-CB 3.82Å |
| 144 | P | 95.7 | Very high | 92.2 | Very high | 49 Ų | 49 | 53.6 Ų | 53.6 | 32% | 0.318 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 132 | 171 | -23 | 35.2 | 0 | 0 | 0 | 110.5 | D146 K153 F155 L197 | P144-D146 PolarHBondContact O-N 3.02Å; P144-K153 WeakPolarHBondContact CD-O 3.27Å; P144-F155 HydrophobicContact CG-CD1 4.38Å; P144-F155 HydrophobicContact CG-CE1 3.74Å; P144-L197 HydrophobicContact CB-CD2 4.35Å; P144-L197 HydrophobicContact CG-CD2 3.98Å |
| 145 | L | 92.8 | Very high | 92.2 | Very high | 37 Ų | 37 | 55 Ų | 55 | 19% | 0.194 | 27% | 0.272 | C | S | . | . | trans | -88.1 | 112.7 | 176.3 | -73.9 | 174.6 | 0 | 0 | 0 | 109.1 | F67 I88 I124 C128 R129 I131 I143 | F67-L145 HydrophobicContact CD2-CD1 4.14Å; F67-L145 HydrophobicContact CE2-CD1 3.91Å; F67-L145 HydrophobicContact CE2-CD2 4.17Å; F67-L145 HydrophobicContact CZ-CD2 4.36Å; I88-L145 HydrophobicContact CD1-CD2 3.96Å; I124-L145 HydrophobicContact CG2-CD1 4.13Å; C128-L145 HydrophobicContact CB-CD1 4.38Å; C128-L145 WeakPolarHBondContact O-CB 3.33Å; C128-L145 WeakPolarHBondContact O-CD1 3.36Å; R129-L145 PolarHBondContact O-N 2.8Å; R129-L145 VanDerWaalsContact O-N 3.14Å; I131-L145 HydrophobicContact CD1-CD2 3.82Å; I131-L145 HydrophobicContact CD1-CG 4.48Å; I131-L145 HydrophobicContact CG1-CD1 3.92Å; I131-L145 HydrophobicContact CG1-CD2 3.81Å; I131-L145 HydrophobicContact CG1-CG 3.91Å; I143-L145 PolarHBondContact O-N 2.74Å | ||
| 146 | D | 86.3 | Confident | 92.2 | Very high | 90 Ų | 90 | 57.6 Ų | 57.6 | 48% | 0.481 | 29% | 0.286 | S | S | . | . | trans | -131 | 134.4 | 175.5 | -176.7 | -3 | 0 | 0 | 0 | 108.6 | P144 D148 N149 | P144-D146 PolarHBondContact O-N 3.02Å; D146-D148 VanDerWaalsContact C-N 3.29Å; D146-D148 PolarHBondContact O-N 3.28Å; D146-D148 PolarHBondContact OD1-N 2.79Å; D146-N149 HydrophobicContact CB-CB 4.4Å; D146-N149 WeakPolarHBondContact CB-ND2 3.16Å; D146-N149 PolarHBondContact O-N 3.39Å; D146-N149 PolarHBondContact OD2-ND2 2.8Å | ||
| 147 | R | 76.7 | Confident | 92.3 | Very high | 159 Ų | 159 | 57.4 Ų | 57.4 | 60% | 0.6 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -31.2 | -170.4 | -167.3 | 179.9 | -173.3 | -161.3 | 1.9 | 112.7 | E72 | E72-R147 IonicContact OE1-CZ 2.72Å; E72-R147 IonicContact OE1-NE 2.81Å; E72-R147 PolarHBondContact OE1-NE 2.66Å; E72-R147 IonicContact OE1-NH2 3.52Å; E72-R147 PolarHBondContact OE1-NH2 3.14Å |
| 148 | D | 81.1 | Confident | 92.4 | Very high | 141 Ų | 141 | 65.6 Ų | 65.6 | 75% | 0.754 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -10.3 | -174.4 | -66.9 | -32 | 0 | 0 | 0 | 113.2 | D146 K150 | D146-D148 VanDerWaalsContact C-N 3.29Å; D146-D148 PolarHBondContact O-N 3.28Å; D146-D148 PolarHBondContact OD1-N 2.79Å; D148-K150 PolarHBondContact O-N 2.61Å |
| 149 | N | 86.3 | Confident | 92.5 | Very high | 77 Ų | 77 | 65.4 Ų | 65.4 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | trans | -85.5 | 111.8 | -174.8 | -74.9 | -26.8 | 0 | 0 | 0 | 112.2 | A104 D146 E151 | A104-N149 WeakPolarHBondContact CB-O 3.41Å; D146-N149 HydrophobicContact CB-CB 4.4Å; D146-N149 WeakPolarHBondContact CB-ND2 3.16Å; D146-N149 PolarHBondContact O-N 3.39Å; D146-N149 PolarHBondContact OD2-ND2 2.8Å; N149-E151 VanDerWaalsContact C-N 3.31Å | ||
| 150 | K | 90.2 | Very high | 92.4 | Very high | 158 Ų | 158 | 70.4 Ų | 70.4 | 69% | 0.687 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -81.8 | -10.5 | 172.1 | -62.6 | -177.4 | -179.4 | 177 | 0 | 113.8 | A104 H105 D148 | A104-K150 VanDerWaalsContact CA-O 3.26Å; A104-K150 WeakPolarHBondContact CA-O 3.37Å; H105-K150 PolarHBondContact N-O 2.88Å; H105-K150 VanDerWaalsContact N-O 3.16Å; H105-K150 PolarHBondContact ND1-O 2.89Å; D148-K150 PolarHBondContact O-N 2.61Å |
| 151 | E | 93 | Very high | 92.3 | Very high | 117 Ų | 117 | 71.1 Ų | 71.1 | 55% | 0.547 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -114.2 | 124.9 | 178.8 | -173.9 | -175.9 | -168.5 | 0 | 0 | 108.8 | H105 N149 K153 | H105-E151 WeakPolarHBondContact O-CA 3.29Å; N149-E151 VanDerWaalsContact C-N 3.31Å; E151-K153 HydrophobicContact CG-CG 4.22Å; E151-K153 PolarHBondContact O-N 3.46Å; E151-K153 WeakPolarHBondContact OE2-CE 3.24Å; E151-K153 IonicContact OE2-NZ 3.55Å |
| 152 | L | 93.4 | Very high | 92.1 | Very high | 15 Ų | 15 | 76.1 Ų | 76.1 | 8% | 0.079 | 36% | 0.363 | C | S | . | . | trans | -80.6 | 87 | 178.7 | -64.2 | 179.6 | 0 | 0 | 0 | 110.2 | F78 A86 I88 A104 H105 I143 A154 | F78-L152 HydrophobicContact CE2-CD1 4.39Å; A86-L152 HydrophobicContact CB-CD1 3.76Å; I88-L152 HydrophobicContact CD1-CD2 3.68Å; I88-L152 HydrophobicContact CG1-CD1 4.39Å; I88-L152 HydrophobicContact CG1-CD2 4.2Å; A104-L152 HydrophobicContact CB-CD2 3.6Å; A104-L152 HydrophobicContact CB-CG 3.92Å; H105-L152 PolarHBondContact O-N 2.81Å; I143-L152 HydrophobicContact CG2-CB 4.17Å; I143-L152 HydrophobicContact CG2-CD2 4.09Å; L152-A154 PolarHBondContact O-N 2.94Å | ||
| 153 | K | 91.4 | Very high | 92 | Very high | 135 Ų | 135 | 79.4 Ų | 79.4 | 59% | 0.587 | 38% | 0.378 | S | S | * | . | trans | -79.6 | 120 | 177.8 | -66.9 | -176.9 | -179.1 | 176.3 | 0 | 110.6 | P144 E151 | P144-K153 WeakPolarHBondContact CD-O 3.27Å; E151-K153 HydrophobicContact CG-CG 4.22Å; E151-K153 PolarHBondContact O-N 3.46Å; E151-K153 WeakPolarHBondContact OE2-CE 3.24Å; E151-K153 IonicContact OE2-NZ 3.55Å | ||
| 154 | A | 94 | Very high | 91.9 | Very high | 40 Ų | 40 | 79.4 Ų | 79.4 | 33% | 0.331 | 38% | 0.378 | S | S | . | . | trans | -107.4 | 154.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | V108 K141 V142 I143 L152 | V108-A154 HydrophobicContact CB-CB 4.43Å; V108-A154 HydrophobicContact CG1-CB 4.05Å; K141-A154 HydrophobicContact CD-CB 3.82Å; K141-A154 HydrophobicContact CG-CB 3.72Å; V142-A154 CarbonylContact O-C 3.52Å; V142-A154 VanDerWaalsContact O-CA 3.25Å; V142-A154 WeakPolarHBondContact O-CA 3.31Å; I143-A154 HydrophobicContact CG1-CB 3.82Å; L152-A154 PolarHBondContact O-N 2.94Å | ||
| 155 | F | 95.3 | Very high | 92 | Very high | 33 Ų | 33 | 78.2 Ų | 78.2 | 15% | 0.145 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 158.3 | 165.7 | 65.3 | -89.7 | 0 | 0 | 0 | 110.5 | K141 V142 P144 I157 L197 K200 | K141-F155 CarbonylContact C-O 3.58Å; K141-F155 WeakPolarHBondContact CA-O 3.18Å; V142-F155 HydrophobicContact CB-CD1 4.46Å; V142-F155 HydrophobicContact CB-CE1 3.96Å; V142-F155 HydrophobicContact CB-CE2 4.01Å; V142-F155 HydrophobicContact CB-CZ 3.71Å; V142-F155 HydrophobicContact CG1-CE1 3.92Å; V142-F155 HydrophobicContact CG1-CZ 3.76Å; V142-F155 HydrophobicContact CG2-CE2 4.38Å; V142-F155 HydrophobicContact CG2-CZ 4.38Å; V142-F155 PolarHBondContact N-O 2.79Å; V142-F155 PolarHBondContact O-N 3.42Å; P144-F155 HydrophobicContact CG-CD1 4.38Å; P144-F155 HydrophobicContact CG-CE1 3.74Å; F155-I157 HydrophobicContact CD2-CG1 4.12Å; F155-I157 HydrophobicContact CE2-CD1 3.9Å; F155-I157 HydrophobicContact CE2-CG1 3.68Å; F155-L197 HydrophobicContact CE1-CD2 4.25Å; F155-L197 HydrophobicContact CZ-CD2 4.06Å; F155-K200 HydrophobicContact CD1-CD 4.43Å; F155-K200 HydrophobicContact CD2-CB 3.88Å; F155-K200 HydrophobicContact CD2-CD 3.85Å; F155-K200 HydrophobicContact CD2-CG 3.93Å; F155-K200 HydrophobicContact CE1-CG 4.47Å; F155-K200 HydrophobicContact CE2-CB 3.57Å; F155-K200 HydrophobicContact CE2-CD 4.05Å; F155-K200 HydrophobicContact CE2-CG 3.61Å; F155-K200 HydrophobicContact CG-CD 4.05Å; F155-K200 HydrophobicContact CG-CG 4.5Å; F155-K200 HydrophobicContact CZ-CB 4.31Å; F155-K200 HydrophobicContact CZ-CD 4.42Å; F155-K200 HydrophobicContact CZ-CG 3.91Å |
| 156 | N | 95.9 | Very high | 92.2 | Very high | 58 Ų | 58 | 77.4 Ų | 77.4 | 31% | 0.31 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 138.1 | -178.9 | -63.8 | -21.3 | 0 | 0 | 0 | 110.9 | D110 L139 K141 | D110-N156 VanDerWaalsContact CG-ND2 3.26Å; D110-N156 PolarHBondContact OD1-ND2 3.14Å; D110-N156 PolarHBondContact OD2-ND2 3.04Å; L139-N156 HydrophobicContact CD2-CB 4.26Å; K141-N156 WeakPolarHBondContact CE-OD1 3.47Å; K141-N156 WeakPolarHBondContact CG-OD1 3.39Å; K141-N156 PolarHBondContact NZ-OD1 3.15Å |
| 157 | I | 96.7 | Very high | 92.7 | Very high | 4 Ų | 4 | 73.3 Ų | 73.3 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 135.1 | 165.7 | -55 | -177.7 | 0 | 0 | 0 | 107.3 | F140 V142 F155 L159 V195 F202 | F140-I157 PolarHBondContact N-O 3.04Å; F140-I157 PolarHBondContact O-N 3.46Å; V142-I157 HydrophobicContact CG2-CD1 3.75Å; V142-I157 HydrophobicContact CG2-CG1 4.18Å; F155-I157 HydrophobicContact CD2-CG1 4.12Å; F155-I157 HydrophobicContact CE2-CD1 3.9Å; F155-I157 HydrophobicContact CE2-CG1 3.68Å; I157-L159 PolarHBondContact O-N 3.36Å; I157-V195 HydrophobicContact CD1-CG1 3.55Å; I157-F202 HydrophobicContact CB-CD2 4.39Å; I157-F202 HydrophobicContact CB-CE2 4.06Å; I157-F202 HydrophobicContact CB-CZ 4.38Å; I157-F202 HydrophobicContact CG2-CD1 4.34Å; I157-F202 HydrophobicContact CG2-CD2 3.35Å; I157-F202 HydrophobicContact CG2-CE1 4.48Å; I157-F202 HydrophobicContact CG2-CE2 3.5Å; I157-F202 VanDerWaalsContact CG2-CE2 3.5Å; I157-F202 HydrophobicContact CG2-CG 3.81Å; I157-F202 HydrophobicContact CG2-CZ 4.11Å |
| 158 | R | 95 | Very high | 93.7 | Very high | 202 Ų | 202 | 68.2 Ų | 68.2 | 76% | 0.762 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 126.3 | 176.2 | -176.5 | 176.8 | -178.5 | 174.8 | -0.8 | 109.7 | F202 | R158-F202 VanDerWaalsContact O-CD2 3.31Å; R158-F202 WeakPolarHBondContact O-CD2 3.15Å |
| 159 | L | 94.5 | Very high | 94.6 | Very high | 6 Ų | 6 | 61.8 Ų | 61.8 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | trans | -105.5 | 124.6 | 171.9 | -169.4 | 60.5 | 0 | 0 | 0 | 108.1 | G138 I157 E161 V164 F180 Y193 F202 | G138-L159 CarbonylContact C-O 3.55Å; G138-L159 VanDerWaalsContact CA-O 3.28Å; G138-L159 WeakPolarHBondContact CA-O 3.2Å; G138-L159 PolarHBondContact O-N 2.89Å; I157-L159 PolarHBondContact O-N 3.36Å; L159-E161 VanDerWaalsContact C-N 3.32Å; L159-V164 HydrophobicContact CD2-CG2 3.66Å; L159-F180 HydrophobicContact CD1-CE1 4.45Å; L159-F180 HydrophobicContact CD1-CZ 4.05Å; L159-Y193 HydrophobicContact CD1-CD2 3.84Å; L159-Y193 HydrophobicContact CD1-CE2 3.59Å; L159-F202 HydrophobicContact CB-CE2 4.1Å; L159-F202 HydrophobicContact CD1-CD2 4.16Å; L159-F202 HydrophobicContact CD1-CE2 3.56Å; L159-F202 HydrophobicContact CD1-CZ 4.06Å; L159-F202 HydrophobicContact CG-CE2 4.4Å | ||
| 160 | E | 94.1 | Very high | 95.1 | Very high | 148 Ų | 148 | 58.4 Ų | 58.4 | 69% | 0.692 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -72.7 | -31.5 | -176.6 | -65 | -171.7 | 158.5 | 0 | 0 | 111.6 | L162 | E160-L162 PolarHBondContact O-N 3.39Š|
| 161 | E | 95 | Very high | 95.4 | Very high | 16 Ų | 16 | 54.6 Ų | 54.6 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | trans | -78.4 | 113.1 | 177.3 | -62 | 76.5 | -167.4 | 0 | 0 | 110.4 | L159 V164 F180 Y182 K191 Y193 | L159-E161 VanDerWaalsContact C-N 3.32Å; E161-V164 HydrophobicContact CB-CG2 4.2Å; E161-V164 WeakPolarHBondContact O-CG2 3.4Å; E161-F180 HydrophobicContact CB-CE2 4.02Å; E161-F180 HydrophobicContact CG-CE2 3.94Å; E161-F180 HydrophobicContact CG-CZ 4.41Å; E161-Y182 HydrophobicContact CB-CD1 4.36Å; E161-Y182 HydrophobicContact CB-CD2 3.93Å; E161-Y182 HydrophobicContact CB-CG 3.83Å; E161-Y182 HydrophobicContact CG-CD1 3.81Å; E161-Y182 HydrophobicContact CG-CD2 3.67Å; E161-Y182 HydrophobicContact CG-CE1 3.91Å; E161-Y182 HydrophobicContact CG-CE2 3.81Å; E161-Y182 HydrophobicContact CG-CG 3.67Å; E161-K191 WeakPolarHBondContact OE1-CD 3.45Å; E161-K191 IonicContact OE1-NZ 3.37Å; E161-K191 PolarHBondContact OE1-NZ 2.9Å; E161-Y193 PolarHBondContact OE1-OH 3.28Å; E161-Y193 WeakPolarHBondContact OE2-CE2 3.31Å; E161-Y193 PolarHBondContact OE2-OH 3.11Å; E161-Y193 VanDerWaalsContact OE2-OH 3.1Å | ||
| 162 | L | 92.6 | Very high | 95.4 | Very high | 113 Ų | 113 | 51.3 Ų | 51.3 | 59% | 0.592 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -81.1 | -42 | -174 | -61.1 | 179.6 | 0 | 0 | 0 | 113 | E160 V164 | E160-L162 PolarHBondContact O-N 3.39Å; L162-V164 PolarHBondContact O-N 2.8Å |
| 163 | H | 94.3 | Very high | 95.4 | Very high | 68 Ų | 68 | 51.8 Ų | 51.8 | 32% | 0.315 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 72 | -174.4 | -165 | -99.2 | 0 | 0 | 0 | 111.1 | Y182 Q183 | H163-Y182 CarbonylContact O-C 3.52Å; H163-Y182 VanDerWaalsContact O-CA 3.28Å; H163-Y182 WeakPolarHBondContact O-CA 3.43Å; H163-Q183 HydrophobicContact CB-CB 4.48Å; H163-Q183 WeakPolarHBondContact ND1-CB 3.41Å; H163-Q183 PolarHBondContact O-N 3.23Å |
| 164 | V | 96.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 125.9 | 178.9 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | T118 L159 E161 L162 V167 F180 | T118-V164 PolarHBondContact OG1-O 2.69Å; L159-V164 HydrophobicContact CD2-CG2 3.66Å; E161-V164 HydrophobicContact CB-CG2 4.2Å; E161-V164 WeakPolarHBondContact O-CG2 3.4Å; L162-V164 PolarHBondContact O-N 2.8Å; V164-V167 HydrophobicContact CG1-CG2 3.37Å; V164-F180 HydrophobicContact CG1-CB 4.12Å; V164-F180 HydrophobicContact CG1-CD2 4.14Å; V164-F180 HydrophobicContact CG1-CG 4.48Å; V164-F180 HydrophobicContact CG2-CD2 4.18Å; V164-F180 HydrophobicContact CG2-CE2 4.46Å |
| 165 | I | 96.1 | Very high | 95.6 | Very high | 23 Ų | 23 | 53.5 Ų | 53.5 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -55.4 | -174.9 | -64.6 | 162.4 | 0 | 0 | 0 | 110 | V181 Q183 R188 | I165-V181 HydrophobicContact CB-CB 4.47Å; I165-V181 HydrophobicContact CB-CG1 4.34Å; I165-V181 HydrophobicContact CD1-CG1 3.98Å; I165-V181 PolarHBondContact N-O 2.85Å; I165-Q183 HydrophobicContact CD1-CB 4.24Å; I165-R188 HydrophobicContact CD1-CG 3.93Å |
| 166 | D | 97.4 | Very high | 95.7 | Very high | 21 Ų | 21 | 52.5 Ų | 52.5 | 11% | 0.112 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 153.5 | 177.7 | -169.3 | 21.6 | 0 | 0 | 0 | 111.5 | F180 V181 V219 | D166-F180 CarbonylContact O-C 3.58Å; D166-F180 WeakPolarHBondContact O-CA 3.46Å; D166-F180 WeakPolarHBondContact O-CB 3.25Å; D166-V181 PolarHBondContact O-N 3.38Å; D166-V219 HydrophobicContact CB-CG2 4.22Å; D166-V219 PolarHBondContact OD2-N 2.93Å |
| 167 | V | 97.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 135.5 | -175.6 | -169.1 | 0 | 0 | 0 | 0 | 109.5 | I123 F140 V164 I178 C179 F180 | I123-V167 HydrophobicContact CD1-CB 4.2Å; I123-V167 HydrophobicContact CD1-CG1 3.6Å; I123-V167 VanDerWaalsContact CG2-O 3.3Å; I123-V167 WeakPolarHBondContact CG2-O 3.47Å; F140-V167 HydrophobicContact CE2-CG1 4.21Å; V164-V167 HydrophobicContact CG1-CG2 3.37Å; V167-I178 HydrophobicContact CG1-CB 4.07Å; V167-I178 HydrophobicContact CG1-CD1 4.39Å; V167-I178 HydrophobicContact CG1-CG2 4.29Å; V167-C179 CarbonylContact C-O 3.59Å; V167-C179 WeakPolarHBondContact CA-O 3.36Å; V167-F180 HydrophobicContact CB-CB 4.12Å; V167-F180 HydrophobicContact CG1-CB 4.08Å; V167-F180 HydrophobicContact CG2-CB 3.78Å |
| 168 | K | 98.1 | Very high | 95.8 | Very high | 52 Ų | 52 | 49.7 Ų | 49.7 | 23% | 0.226 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 152.6 | 168.9 | -63.6 | -64.8 | 172.5 | -176.3 | 0 | 111.9 | I123 I178 C179 V219 A221 | I123-K168 HydrophobicContact CG2-CD 3.96Å; K168-I178 CarbonylContact O-C 3.42Å; K168-I178 WeakPolarHBondContact O-CA 3.28Å; K168-C179 PolarHBondContact N-O 3.29Å; K168-C179 PolarHBondContact O-N 2.55Å; K168-V219 HydrophobicContact CB-CG1 4.11Å; K168-V219 WeakPolarHBondContact CE-O 3.4Å; K168-V219 HydrophobicContact CG-CB 4.14Å; K168-V219 HydrophobicContact CG-CG1 4.09Å; K168-V219 WeakPolarHBondContact CG-O 3.3Å; K168-A221 HydrophobicContact CB-CB 4.1Å |
| 169 | F | 98.4 | Very high | 96 | Very high | 7 Ų | 7 | 40 Ų | 40 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 135.5 | 165.6 | -78.3 | -73.5 | 0 | 0 | 0 | 110.1 | I123 I124 D125 P126 M130 F140 P176 T177 I178 V195 A221 | I123-F169 HydrophobicContact CB-CD2 4.03Å; I123-F169 HydrophobicContact CB-CE2 4.37Å; I123-F169 HydrophobicContact CD1-CD2 3.55Å; I123-F169 HydrophobicContact CD1-CE2 3.72Å; I123-F169 HydrophobicContact CD1-CG 4.18Å; I123-F169 HydrophobicContact CD1-CZ 4.45Å; I123-F169 HydrophobicContact CG1-CD2 3.71Å; I123-F169 HydrophobicContact CG1-CE2 3.67Å; I124-F169 VanDerWaalsContact C-CD2 3.49Å; D125-F169 HydrophobicContact CB-CD1 4.24Å; D125-F169 HydrophobicContact CB-CD2 4.06Å; D125-F169 HydrophobicContact CB-CE1 4.39Å; D125-F169 HydrophobicContact CB-CE2 4.2Å; D125-F169 HydrophobicContact CB-CG 4.09Å; D125-F169 HydrophobicContact CB-CZ 4.38Å; D125-F169 VanDerWaalsContact N-CD2 3.32Å; P126-F169 HydrophobicContact CG-CB 4.48Å; M130-F169 HydrophobicContact CG-CE1 4.25Å; M130-F169 HydrophobicContact CG-CE2 4.34Å; M130-F169 HydrophobicContact CG-CZ 3.7Å; M130-F169 HydrophobicContact SD-CE1 3.86Å; M130-F169 HydrophobicContact SD-CZ 3.57Å; M130-F169 VanDerWaalsContact SD-CZ 3.57Å; F140-F169 HydrophobicContact CE1-CZ 4.47Å; F140-F169 HydrophobicContact CZ-CZ 4.14Å; F169-P176 HydrophobicContact CD1-CB 4.31Å; F169-P176 HydrophobicContact CE1-CB 3.88Å; F169-T177 CarbonylContact C-O 3.6Å; F169-T177 WeakPolarHBondContact CA-O 3.47Å; F169-I178 HydrophobicContact CD1-CG2 3.61Å; F169-I178 HydrophobicContact CE1-CG2 3.42Å; F169-I178 VanDerWaalsContact CE1-CG2 3.42Å; F169-I178 HydrophobicContact CG-CG2 4.26Å; F169-I178 HydrophobicContact CZ-CG2 3.93Å; F169-V195 HydrophobicContact CE1-CG2 4.27Å; F169-A221 WeakPolarHBondContact O-CB 3.3Å |
| 170 | L | 98 | Very high | 96.1 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -78.5 | 147.1 | 175.2 | -64.2 | -175.9 | 0 | 0 | 0 | 111.5 | T177 C179 T192 W207 G228 A229 | L170-T177 HydrophobicContact CD1-CG2 4.03Å; L170-T177 PolarHBondContact N-O 3.07Å; L170-C179 HydrophobicContact CD1-CB 4.19Å; L170-C179 HydrophobicContact CD2-CB 3.57Å; L170-C179 HydrophobicContact CG-CB 3.84Å; L170-T192 HydrophobicContact CD1-CG2 4.05Å; L170-W207 HydrophobicContact CD1-CZ2 4.05Å; L170-G228 WeakPolarHBondContact CD2-O 3.41Å; L170-A229 HydrophobicContact CD2-CB 4.11Å |
| 171 | Y | 96.1 | Very high | 96.3 | Very high | 78 Ų | 78 | 32.7 Ų | 32.7 | 31% | 0.306 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -81.2 | 157.8 | 171.8 | -65.7 | -90.5 | 0 | 0 | 0 | 111.5 | P126 C173 A221 P223 | P126-Y171 HydrophobicContact CB-CD1 3.53Å; P126-Y171 HydrophobicContact CB-CE1 3.61Å; P126-Y171 HydrophobicContact CB-CG 4.39Å; P126-Y171 HydrophobicContact CG-CD1 3.6Å; P126-Y171 HydrophobicContact CG-CD2 4.5Å; P126-Y171 HydrophobicContact CG-CE1 3.66Å; P126-Y171 HydrophobicContact CG-CG 4.03Å; Y171-C173 PolarHBondContact O-N 2.88Å; Y171-A221 HydrophobicContact CD2-CB 3.81Å; Y171-A221 HydrophobicContact CE2-CB 3.68Å; Y171-P223 HydrophobicContact CD1-CB 4.22Å; Y171-P223 HydrophobicContact CD2-CB 4.17Å; Y171-P223 HydrophobicContact CE1-CB 4.46Å; Y171-P223 HydrophobicContact CE2-CB 4.39Å; Y171-P223 HydrophobicContact CG-CB 4.09Å |
| 172 | G | 92.4 | Very high | 96.4 | Very high | 49 Ų | 49 | 32.9 Ų | 32.9 | 51% | 0.505 | 18% | 0.175 | S | C | . | . | S | Bend | trans | 72.6 | 8.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 173 | C | 94.3 | Very high | 96.5 | Very high | 25 Ų | 25 | 31.3 Ų | 31.3 | 17% | 0.169 | 17% | 0.165 | C | C | . | . | trans | -93 | 129 | -177.8 | -57 | 0 | 0 | 0 | 0 | 113 | R129 Y171 A175 T177 | R129-C173 PolarHBondContact NH1-O 3.04Å; R129-C173 PolarHBondContact NH2-O 3.48Å; Y171-C173 PolarHBondContact O-N 2.88Å; C173-A175 VanDerWaalsContact C-N 3.28Å; C173-A175 CarbonylContact C-O 3.59Å; C173-A175 WeakPolarHBondContact CB-O 3.29Å; C173-A175 PolarHBondContact O-N 3.17Å; C173-T177 WeakPolarHBondContact CB-OG1 3.42Å | ||
| 174 | Q | 92.7 | Very high | 96.5 | Very high | 183 Ų | 183 | 30.2 Ų | 30.2 | 86% | 0.855 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -61.5 | -34 | 178.6 | -66 | -62.6 | -43.7 | 0 | 0 | 113.4 | R129 | R129-Q174 PolarHBondContact NH1-O 3Š|
| 175 | A | 95.7 | Very high | 96.5 | Very high | 28 Ų | 28 | 36.3 Ų | 36.3 | 23% | 0.231 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -107.8 | 150.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | C173 T177 E194 | C173-A175 VanDerWaalsContact C-N 3.28Å; C173-A175 CarbonylContact C-O 3.59Å; C173-A175 WeakPolarHBondContact CB-O 3.29Å; C173-A175 PolarHBondContact O-N 3.17Å; A175-T177 PolarHBondContact O-N 3.32Å; A175-T177 PolarHBondContact O-OG1 2.84Å; A175-E194 HydrophobicContact CB-CB 4.47Å; A175-E194 HydrophobicContact CB-CG 4.29Å |
| 176 | P | 97.4 | Very high | 96.3 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 7% | 0.071 | 23% | 0.226 | C | C | . | . | trans | -54.4 | 116.5 | 170.8 | -17.1 | 26.4 | 0 | 0 | 0 | 109.2 | R129 M130 F169 V195 | R129-P176 HydrophobicContact CB-CG 4.27Å; R129-P176 VanDerWaalsContact NH2-CA 3.31Å; M130-P176 HydrophobicContact CE-CB 3.79Å; M130-P176 HydrophobicContact CE-CG 3.57Å; M130-P176 HydrophobicContact CG-CB 4.34Å; M130-P176 HydrophobicContact SD-CB 3.84Å; M130-P176 HydrophobicContact SD-CG 4.26Å; F169-P176 HydrophobicContact CD1-CB 4.31Å; F169-P176 HydrophobicContact CE1-CB 3.88Å; P176-V195 HydrophobicContact CB-CB 4.28Å; P176-V195 PolarHBondContact O-N 2.74Å | ||
| 177 | T | 98.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 121.9 | -172.8 | -58.4 | 0 | 0 | 0 | 0 | 108.8 | F169 L170 C173 A175 Y193 E194 P206 | F169-T177 CarbonylContact C-O 3.6Å; F169-T177 WeakPolarHBondContact CA-O 3.47Å; L170-T177 HydrophobicContact CD1-CG2 4.03Å; L170-T177 PolarHBondContact N-O 3.07Å; C173-T177 WeakPolarHBondContact CB-OG1 3.42Å; A175-T177 PolarHBondContact O-N 3.32Å; A175-T177 PolarHBondContact O-OG1 2.84Å; T177-Y193 CarbonylContact C-O 3.5Å; T177-Y193 VanDerWaalsContact CA-O 3.31Å; T177-Y193 WeakPolarHBondContact CA-O 3.24Å; T177-E194 HydrophobicContact CG2-CG 4.47Å; T177-P206 HydrophobicContact CG2-CG 4.19Å |
| 178 | I | 98.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 144.9 | 175.2 | 60.1 | 168.9 | 0 | 0 | 0 | 110.4 | I123 F140 V167 K168 F169 F180 T192 Y193 V195 F202 | I123-I178 HydrophobicContact CD1-CG2 4.24Å; F140-I178 HydrophobicContact CE1-CG2 4.31Å; F140-I178 HydrophobicContact CE2-CD1 4.46Å; F140-I178 HydrophobicContact CE2-CG2 4.42Å; F140-I178 HydrophobicContact CZ-CD1 4.47Å; F140-I178 HydrophobicContact CZ-CG2 3.79Å; V167-I178 HydrophobicContact CG1-CB 4.07Å; V167-I178 HydrophobicContact CG1-CD1 4.39Å; V167-I178 HydrophobicContact CG1-CG2 4.29Å; K168-I178 CarbonylContact O-C 3.42Å; K168-I178 WeakPolarHBondContact O-CA 3.28Å; F169-I178 HydrophobicContact CD1-CG2 3.61Å; F169-I178 HydrophobicContact CE1-CG2 3.42Å; F169-I178 VanDerWaalsContact CE1-CG2 3.42Å; F169-I178 HydrophobicContact CG-CG2 4.26Å; F169-I178 HydrophobicContact CZ-CG2 3.93Å; I178-F180 HydrophobicContact CD1-CD1 3.95Å; I178-F180 HydrophobicContact CD1-CE1 4.1Å; I178-F180 HydrophobicContact CG1-CD1 4.18Å; I178-F180 HydrophobicContact CG1-CE1 4.4Å; I178-T192 CarbonylContact O-C 3.57Å; I178-T192 WeakPolarHBondContact O-CA 3.03Å; I178-T192 WeakPolarHBondContact O-CB 3.35Å; I178-Y193 HydrophobicContact CD1-CD2 4.5Å; I178-Y193 PolarHBondContact N-O 3.01Å; I178-Y193 PolarHBondContact O-N 2.71Å; I178-V195 HydrophobicContact CG2-CG2 4.25Å; I178-F202 HydrophobicContact CD1-CD1 4.45Å; I178-F202 HydrophobicContact CD1-CE1 3.5Å; I178-F202 VanDerWaalsContact CD1-CE1 3.5Å; I178-F202 HydrophobicContact CD1-CZ 3.73Å; I178-F202 HydrophobicContact CG1-CE1 4.2Å |
| 179 | C | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.3 | 166.5 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | V167 K168 L170 V190 K191 T192 W207 V219 | V167-C179 CarbonylContact C-O 3.59Å; V167-C179 WeakPolarHBondContact CA-O 3.36Å; K168-C179 PolarHBondContact N-O 3.29Å; K168-C179 PolarHBondContact O-N 2.55Å; L170-C179 HydrophobicContact CD1-CB 4.19Å; L170-C179 HydrophobicContact CD2-CB 3.57Å; L170-C179 HydrophobicContact CG-CB 3.84Å; C179-V190 VanDerWaalsContact SG-CG1 3.58Å; C179-K191 WeakPolarHBondContact CA-O 3.4Å; C179-T192 HydrophobicContact CB-CG2 4.04Å; C179-W207 VanDerWaalsContact SG-CH2 3.57Å; C179-V219 HydrophobicContact CB-CG1 4.36Å |
| 180 | F | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 150.4 | -177.2 | 59.4 | -83.1 | 0 | 0 | 0 | 112.1 | L159 E161 V164 D166 V167 I178 Y182 V190 K191 Y193 | L159-F180 HydrophobicContact CD1-CE1 4.45Å; L159-F180 HydrophobicContact CD1-CZ 4.05Å; E161-F180 HydrophobicContact CB-CE2 4.02Å; E161-F180 HydrophobicContact CG-CE2 3.94Å; E161-F180 HydrophobicContact CG-CZ 4.41Å; V164-F180 HydrophobicContact CG1-CB 4.12Å; V164-F180 HydrophobicContact CG1-CD2 4.14Å; V164-F180 HydrophobicContact CG1-CG 4.48Å; V164-F180 HydrophobicContact CG2-CD2 4.18Å; V164-F180 HydrophobicContact CG2-CE2 4.46Å; D166-F180 CarbonylContact O-C 3.58Å; D166-F180 WeakPolarHBondContact O-CA 3.46Å; D166-F180 WeakPolarHBondContact O-CB 3.25Å; V167-F180 HydrophobicContact CB-CB 4.12Å; V167-F180 HydrophobicContact CG1-CB 4.08Å; V167-F180 HydrophobicContact CG2-CB 3.78Å; I178-F180 HydrophobicContact CD1-CD1 3.95Å; I178-F180 HydrophobicContact CD1-CE1 4.1Å; I178-F180 HydrophobicContact CG1-CD1 4.18Å; I178-F180 HydrophobicContact CG1-CE1 4.4Å; F180-Y182 HydrophobicContact CD2-CD1 4.12Å; F180-Y182 AromaticContact CE2-CD1 3.76Å; F180-Y182 HydrophobicContact CE2-CD1 3.76Å; F180-Y182 HydrophobicContact CE2-CG 4.31Å; F180-V190 WeakPolarHBondContact O-CA 3.43Å; F180-K191 WeakPolarHBondContact CD1-O 3.48Å; F180-K191 HydrophobicContact CE1-CB 4.18Å; F180-K191 HydrophobicContact CE2-CB 4.2Å; F180-K191 HydrophobicContact CZ-CB 3.82Å; F180-K191 HydrophobicContact CZ-CD 4.31Å; F180-K191 HydrophobicContact CZ-CG 4.3Å; F180-K191 PolarHBondContact N-O 3.17Å; F180-K191 PolarHBondContact O-N 3.46Å; F180-Y193 AromaticContact CE1-CD2 3.49Å; F180-Y193 HydrophobicContact CE1-CD2 3.49Å; F180-Y193 VanDerWaalsContact CE1-CD2 3.49Å; F180-Y193 AromaticContact CE1-CE2 3.81Å; F180-Y193 HydrophobicContact CE1-CE2 3.81Å; F180-Y193 HydrophobicContact CE1-CG 4.24Å; F180-Y193 AromaticContact CZ-CD2 3.72Å; F180-Y193 HydrophobicContact CZ-CD2 3.72Å; F180-Y193 AromaticContact CZ-CE2 3.5Å; F180-Y193 HydrophobicContact CZ-CE2 3.5Å |
| 181 | V | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 131.7 | 169.6 | 177.2 | 0 | 0 | 0 | 0 | 107.9 | I165 D166 R188 H189 V190 A216 V219 I231 | I165-V181 HydrophobicContact CB-CB 4.47Å; I165-V181 HydrophobicContact CB-CG1 4.34Å; I165-V181 HydrophobicContact CD1-CG1 3.98Å; I165-V181 PolarHBondContact N-O 2.85Å; D166-V181 PolarHBondContact O-N 3.38Å; V181-R188 HydrophobicContact CG1-CB 4.33Å; V181-H189 CarbonylContact C-O 3.6Å; V181-H189 VanDerWaalsContact CA-O 3.3Å; V181-H189 WeakPolarHBondContact CA-O 3.26Å; V181-V190 HydrophobicContact CG2-CG2 3.72Å; V181-A216 HydrophobicContact CG1-CB 4.35Å; V181-V219 HydrophobicContact CB-CG2 4.25Å; V181-V219 HydrophobicContact CG2-CG2 3.47Å; V181-V219 VanDerWaalsContact CG2-CG2 3.47Å; V181-I231 HydrophobicContact CG2-CD1 4.13Å; V181-I231 HydrophobicContact CG2-CG2 3.93Å |
| 182 | Y | 96.5 | Very high | 96.2 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 8% | 0.075 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 161.5 | 173.5 | 74.7 | -84.3 | 0 | 0 | 0 | 110.7 | E161 H163 F180 D184 R188 H189 K191 | E161-Y182 HydrophobicContact CB-CD1 4.36Å; E161-Y182 HydrophobicContact CB-CD2 3.93Å; E161-Y182 HydrophobicContact CB-CG 3.83Å; E161-Y182 HydrophobicContact CG-CD1 3.81Å; E161-Y182 HydrophobicContact CG-CD2 3.67Å; E161-Y182 HydrophobicContact CG-CE1 3.91Å; E161-Y182 HydrophobicContact CG-CE2 3.81Å; E161-Y182 HydrophobicContact CG-CG 3.67Å; H163-Y182 CarbonylContact O-C 3.52Å; H163-Y182 VanDerWaalsContact O-CA 3.28Å; H163-Y182 WeakPolarHBondContact O-CA 3.43Å; F180-Y182 HydrophobicContact CD2-CD1 4.12Å; F180-Y182 AromaticContact CE2-CD1 3.76Å; F180-Y182 HydrophobicContact CE2-CD1 3.76Å; F180-Y182 HydrophobicContact CE2-CG 4.31Å; Y182-D184 HydrophobicContact CE2-CB 4.15Å; Y182-R188 CarbonylContact O-C 3.48Å; Y182-R188 VanDerWaalsContact O-CA 3.31Å; Y182-R188 WeakPolarHBondContact O-CA 3.47Å; Y182-H189 HydrophobicContact CD1-CB 4.09Å; Y182-H189 HydrophobicContact CE1-CB 3.47Å; Y182-H189 VanDerWaalsContact CE1-CB 3.47Å; Y182-H189 HydrophobicContact CE2-CB 4.14Å; Y182-H189 VanDerWaalsContact CZ-CB 3.49Å; Y182-H189 PolarHBondContact N-O 2.68Å; Y182-H189 PolarHBondContact O-N 2.58Å; Y182-K191 HydrophobicContact CD1-CB 4.44Å; Y182-K191 HydrophobicContact CE1-CB 4Å; Y182-K191 HydrophobicContact CE1-CD 4.3Å |
| 183 | Q | 95.9 | Very high | 96.4 | Very high | 80 Ų | 80 | 38.1 Ų | 38.1 | 37% | 0.374 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 137.8 | 176.5 | -170.9 | 174.9 | -9.3 | 0 | 0 | 111 | H163 I165 G187 R188 | H163-Q183 HydrophobicContact CB-CB 4.48Å; H163-Q183 WeakPolarHBondContact ND1-CB 3.41Å; H163-Q183 PolarHBondContact O-N 3.23Å; I165-Q183 HydrophobicContact CD1-CB 4.24Å; Q183-G187 WeakPolarHBondContact CA-O 3.31Å; Q183-R188 HydrophobicContact CB-CG 4.22Å; Q183-R188 HydrophobicContact CG-CG 4.25Å |
| 184 | D | 94.5 | Very high | 96.6 | Very high | 46 Ų | 46 | 40 Ų | 40 | 25% | 0.246 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | -177.5 | 169.3 | 72.1 | 18.8 | 0 | 0 | 0 | 109.6 | Y182 Q186 G187 H189 | Y182-D184 HydrophobicContact CE2-CB 4.15Å; D184-Q186 PolarHBondContact O-N 2.82Å; D184-Q186 WeakPolarHBondContact OD1-CA 3.46Å; D184-Q186 VanDerWaalsContact OD1-CB 3.29Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.37Å; D184-Q186 PolarHBondContact OD1-N 2.93Å; D184-Q186 PolarHBondContact OD1-OE1 2.76Å; D184-Q186 VanDerWaalsContact OD1-OE1 3.05Å; D184-Q186 PolarHBondContact OD2-OE1 2.83Å; D184-G187 PolarHBondContact N-O 3.44Å; D184-G187 PolarHBondContact O-N 2.87Å; D184-G187 PolarHBondContact OD1-N 3.06Å; D184-G187 VanDerWaalsContact OD1-N 3.1Å; D184-H189 IonicContact OD1-CD2 3.59Å; D184-H189 IonicContact OD1-NE2 2.71Å; D184-H189 PolarHBondContact OD1-NE2 2.98Å; D184-H189 VanDerWaalsContact OD1-NE2 3.08Å; D184-H189 IonicContact OD2-CD2 2.72Å; D184-H189 IonicContact OD2-NE2 3.75Å |
| 185 | P | 95.1 | Very high | 96.9 | Very high | 130 Ų | 130 | 31.5 Ų | 31.5 | 84% | 0.844 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -16.6 | 178.2 | -25.3 | 36.2 | 0 | 0 | 0 | 115.3 | ||
| 186 | Q | 93.1 | Very high | 96.9 | Very high | 137 Ų | 137 | 31 Ų | 31 | 64% | 0.64 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -23.2 | 179.9 | -66.3 | 78.5 | 13.7 | 0 | 0 | 112.7 | D184 | D184-Q186 PolarHBondContact O-N 2.82Å; D184-Q186 WeakPolarHBondContact OD1-CA 3.46Å; D184-Q186 VanDerWaalsContact OD1-CB 3.29Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.37Å; D184-Q186 PolarHBondContact OD1-N 2.93Å; D184-Q186 PolarHBondContact OD1-OE1 2.76Å; D184-Q186 VanDerWaalsContact OD1-OE1 3.05Å; D184-Q186 PolarHBondContact OD2-OE1 2.83Å |
| 187 | G | 95.1 | Very high | 96.7 | Very high | 24 Ų | 24 | 33.6 Ų | 33.6 | 25% | 0.247 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.6 | -154.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q183 D184 H189 | Q183-G187 WeakPolarHBondContact CA-O 3.31Å; D184-G187 PolarHBondContact N-O 3.44Å; D184-G187 PolarHBondContact O-N 2.87Å; D184-G187 PolarHBondContact OD1-N 3.06Å; D184-G187 VanDerWaalsContact OD1-N 3.1Å; G187-H189 PolarHBondContact N-NE2 2.84Å; G187-H189 PolarHBondContact O-CD2 3.02Å; G187-H189 PolarHBondContact O-NE2 3.21Å |
| 188 | R | 96.8 | Very high | 96.5 | Very high | 45 Ų | 45 | 43.3 Ų | 43.3 | 17% | 0.17 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 142.7 | 168.9 | -68.7 | -170.8 | -175.5 | 175.8 | 13.7 | 110 | I165 V181 Y182 Q183 N211 V212 A214 E215 A216 | I165-R188 HydrophobicContact CD1-CG 3.93Å; V181-R188 HydrophobicContact CG1-CB 4.33Å; Y182-R188 CarbonylContact O-C 3.48Å; Y182-R188 VanDerWaalsContact O-CA 3.31Å; Y182-R188 WeakPolarHBondContact O-CA 3.47Å; Q183-R188 HydrophobicContact CB-CG 4.22Å; Q183-R188 HydrophobicContact CG-CG 4.25Å; R188-N211 CarbonylContact O-C 3.59Å; R188-N211 WeakPolarHBondContact O-CA 3.49Å; R188-V212 VanDerWaalsContact C-CG2 3.5Å; R188-V212 HydrophobicContact CB-CG2 3.8Å; R188-V212 VanDerWaalsContact O-CG2 3.3Å; R188-V212 WeakPolarHBondContact O-CG2 3.48Å; R188-V212 PolarHBondContact O-N 2.85Å; R188-A214 WeakPolarHBondContact CD-O 3.33Å; R188-A214 PolarHBondContact NE-O 3.35Å; R188-E215 PolarHBondContact NH1-O 2.8Å; R188-A216 VanDerWaalsContact CD-O 3.32Å; R188-A216 WeakPolarHBondContact CD-O 3.14Å; R188-A216 PolarHBondContact NH1-O 3.48Å |
| 189 | H | 97.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 152.9 | -174.2 | -56.9 | -97.7 | 0 | 0 | 0 | 109.6 | V181 Y182 D184 G187 E210 N211 | V181-H189 CarbonylContact C-O 3.6Å; V181-H189 VanDerWaalsContact CA-O 3.3Å; V181-H189 WeakPolarHBondContact CA-O 3.26Å; Y182-H189 HydrophobicContact CD1-CB 4.09Å; Y182-H189 HydrophobicContact CE1-CB 3.47Å; Y182-H189 VanDerWaalsContact CE1-CB 3.47Å; Y182-H189 HydrophobicContact CE2-CB 4.14Å; Y182-H189 VanDerWaalsContact CZ-CB 3.49Å; Y182-H189 PolarHBondContact N-O 2.68Å; Y182-H189 PolarHBondContact O-N 2.58Å; D184-H189 IonicContact OD1-CD2 3.59Å; D184-H189 IonicContact OD1-NE2 2.71Å; D184-H189 PolarHBondContact OD1-NE2 2.98Å; D184-H189 VanDerWaalsContact OD1-NE2 3.08Å; D184-H189 IonicContact OD2-CD2 2.72Å; D184-H189 IonicContact OD2-NE2 3.75Å; G187-H189 PolarHBondContact N-NE2 2.84Å; G187-H189 PolarHBondContact O-CD2 3.02Å; G187-H189 PolarHBondContact O-NE2 3.21Å; H189-E210 IonicContact CE1-OE2 2.73Å; H189-E210 PolarHBondContact CE1-OE2 2.88Å; H189-E210 IonicContact CG-OE2 3.47Å; H189-E210 WeakPolarHBondContact ND1-CA 3.23Å; H189-E210 IonicContact ND1-OE2 3.53Å; H189-E210 PolarHBondContact ND1-OE2 3.25Å; H189-N211 PolarHBondContact CE1-N 2.86Å; H189-N211 PolarHBondContact CE1-OD1 3.42Å; H189-N211 VanDerWaalsContact CE1-OD1 3.27Å; H189-N211 PolarHBondContact ND1-N 2.76Å |
| 190 | V | 97.5 | Very high | 96.2 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 133 | 173.9 | 177.6 | 0 | 0 | 0 | 0 | 109.2 | C179 F180 V181 W207 K208 Q209 V212 I231 | C179-V190 VanDerWaalsContact SG-CG1 3.58Å; F180-V190 WeakPolarHBondContact O-CA 3.43Å; V181-V190 HydrophobicContact CG2-CG2 3.72Å; V190-W207 HydrophobicContact CG1-CH2 4.1Å; V190-W207 HydrophobicContact CG1-CZ3 3.65Å; V190-K208 CarbonylContact O-C 3.58Å; V190-K208 WeakPolarHBondContact O-CA 3.41Å; V190-K208 WeakPolarHBondContact O-CB 3.39Å; V190-Q209 HydrophobicContact CB-CB 4.26Å; V190-Q209 PolarHBondContact N-O 3.49Å; V190-Q209 PolarHBondContact O-N 2.83Å; V190-V212 HydrophobicContact CB-CG1 4.44Å; V190-V212 HydrophobicContact CG2-CG1 3.73Å; V190-V212 HydrophobicContact CG2-CG2 4.16Å; V190-I231 HydrophobicContact CG1-CD1 4.23Å; V190-I231 HydrophobicContact CG2-CD1 3.82Å; V190-I231 HydrophobicContact CG2-CG1 3.93Å; V190-I231 HydrophobicContact CG2-CG2 4.35Å |
| 191 | K | 97.4 | Very high | 96.1 | Very high | 39 Ų | 39 | 58.2 Ų | 58.2 | 17% | 0.17 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 153.7 | 179.1 | -163.3 | 170 | -174.9 | -179.2 | 0 | 110.6 | E161 C179 F180 Y182 Y193 K208 | E161-K191 WeakPolarHBondContact OE1-CD 3.45Å; E161-K191 IonicContact OE1-NZ 3.37Å; E161-K191 PolarHBondContact OE1-NZ 2.9Å; C179-K191 WeakPolarHBondContact CA-O 3.4Å; F180-K191 WeakPolarHBondContact CD1-O 3.48Å; F180-K191 HydrophobicContact CE1-CB 4.18Å; F180-K191 HydrophobicContact CE2-CB 4.2Å; F180-K191 HydrophobicContact CZ-CB 3.82Å; F180-K191 HydrophobicContact CZ-CD 4.31Å; F180-K191 HydrophobicContact CZ-CG 4.3Å; F180-K191 PolarHBondContact N-O 3.17Å; F180-K191 PolarHBondContact O-N 3.46Å; Y182-K191 HydrophobicContact CD1-CB 4.44Å; Y182-K191 HydrophobicContact CE1-CB 4Å; Y182-K191 HydrophobicContact CE1-CD 4.3Å; K191-Y193 HydrophobicContact CD-CE1 4.22Å; K191-Y193 WeakPolarHBondContact CE-OH 3.36Å; K191-Y193 HydrophobicContact CG-CE1 4.47Å; K191-Y193 PolarHBondContact NZ-OH 2.8Å; K191-K208 HydrophobicContact CB-CB 4.5Å; K191-K208 HydrophobicContact CG-CB 4.2Å |
| 192 | T | 98.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 145 | 172.7 | 64.4 | 0 | 0 | 0 | 0 | 111.4 | L170 I178 C179 G205 P206 W207 | L170-T192 HydrophobicContact CD1-CG2 4.05Å; I178-T192 CarbonylContact O-C 3.57Å; I178-T192 WeakPolarHBondContact O-CA 3.03Å; I178-T192 WeakPolarHBondContact O-CB 3.35Å; C179-T192 HydrophobicContact CB-CG2 4.04Å; T192-G205 VanDerWaalsContact O-CA 3.23Å; T192-G205 WeakPolarHBondContact O-CA 2.95Å; T192-G205 PolarHBondContact O-N 3.07Å; T192-G205 VanDerWaalsContact O-N 3.12Å; T192-G205 VanDerWaalsContact OG1-C 3.32Å; T192-G205 WeakPolarHBondContact OG1-CA 3.32Å; T192-P206 WeakPolarHBondContact OG1-CD 3.41Å; T192-W207 WeakPolarHBondContact CB-O 3.23Å; T192-W207 HydrophobicContact CG2-CD2 3.79Å; T192-W207 HydrophobicContact CG2-CE3 4.05Å; T192-W207 HydrophobicContact CG2-CG 4.39Å; T192-W207 HydrophobicContact CG2-CH2 4.05Å; T192-W207 HydrophobicContact CG2-CZ2 3.79Å; T192-W207 HydrophobicContact CG2-CZ3 4.18Å; T192-W207 PolarHBondContact N-O 3.24Å; T192-W207 PolarHBondContact OG1-N 3.33Å; T192-W207 VanDerWaalsContact OG1-N 3.08Å; T192-W207 PolarHBondContact OG1-O 2.78Å |
| 193 | Y | 98 | Very high | 96.2 | Very high | 20 Ų | 20 | 62 Ų | 62 | 8% | 0.078 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 142 | 171.1 | -70.7 | -43.9 | 0 | 0 | 0 | 111.1 | L159 E161 T177 I178 F180 K191 F202 | L159-Y193 HydrophobicContact CD1-CD2 3.84Å; L159-Y193 HydrophobicContact CD1-CE2 3.59Å; E161-Y193 PolarHBondContact OE1-OH 3.28Å; E161-Y193 WeakPolarHBondContact OE2-CE2 3.31Å; E161-Y193 PolarHBondContact OE2-OH 3.11Å; E161-Y193 VanDerWaalsContact OE2-OH 3.1Å; T177-Y193 CarbonylContact C-O 3.5Å; T177-Y193 VanDerWaalsContact CA-O 3.31Å; T177-Y193 WeakPolarHBondContact CA-O 3.24Å; I178-Y193 HydrophobicContact CD1-CD2 4.5Å; I178-Y193 PolarHBondContact N-O 3.01Å; I178-Y193 PolarHBondContact O-N 2.71Å; F180-Y193 AromaticContact CE1-CD2 3.49Å; F180-Y193 HydrophobicContact CE1-CD2 3.49Å; F180-Y193 VanDerWaalsContact CE1-CD2 3.49Å; F180-Y193 AromaticContact CE1-CE2 3.81Å; F180-Y193 HydrophobicContact CE1-CE2 3.81Å; F180-Y193 HydrophobicContact CE1-CG 4.24Å; F180-Y193 AromaticContact CZ-CD2 3.72Å; F180-Y193 HydrophobicContact CZ-CD2 3.72Å; F180-Y193 AromaticContact CZ-CE2 3.5Å; F180-Y193 HydrophobicContact CZ-CE2 3.5Å; K191-Y193 HydrophobicContact CD-CE1 4.22Å; K191-Y193 WeakPolarHBondContact CE-OH 3.36Å; K191-Y193 HydrophobicContact CG-CE1 4.47Å; K191-Y193 PolarHBondContact NZ-OH 2.8Å; Y193-F202 HydrophobicContact CD1-CB 4.37Å; Y193-F202 HydrophobicContact CD2-CB 4.26Å; Y193-F202 HydrophobicContact CD2-CD1 4.14Å; Y193-F202 HydrophobicContact CD2-CD2 4.1Å; Y193-F202 HydrophobicContact CD2-CE1 4.46Å; Y193-F202 HydrophobicContact CD2-CE2 4.46Å; Y193-F202 AromaticContact CD2-CG 3.93Å; Y193-F202 HydrophobicContact CD2-CG 3.93Å; Y193-F202 HydrophobicContact CG-CB 4.03Å; Y193-F202 HydrophobicContact CG-CD1 4.12Å; Y193-F202 HydrophobicContact CG-CG 4.05Å |
| 194 | E | 97.8 | Very high | 96.1 | Very high | 66 Ų | 66 | 67 Ų | 67 | 31% | 0.308 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 131.6 | 168.1 | -77.8 | -179.4 | -175.1 | 0 | 0 | 109.4 | A175 T177 F202 N203 | A175-E194 HydrophobicContact CB-CB 4.47Å; A175-E194 HydrophobicContact CB-CG 4.29Å; T177-E194 HydrophobicContact CG2-CG 4.47Å; E194-F202 WeakPolarHBondContact O-CA 3.35Å; E194-N203 HydrophobicContact CB-CB 3.95Å; E194-N203 PolarHBondContact N-O 3.11Å; E194-N203 PolarHBondContact O-N 2.71Å |
| 195 | V | 97.8 | Very high | 96 | Very high | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 110.3 | -179 | -169 | 0 | 0 | 0 | 0 | 109.7 | M130 F140 V142 I157 F169 P176 I178 L197 F202 | M130-V195 HydrophobicContact CE-CB 4.07Å; M130-V195 HydrophobicContact CE-CG1 3.77Å; M130-V195 HydrophobicContact SD-CB 4.07Å; M130-V195 HydrophobicContact SD-CG1 3.84Å; M130-V195 HydrophobicContact SD-CG2 4.39Å; F140-V195 HydrophobicContact CE1-CG2 4.36Å; V142-V195 HydrophobicContact CG2-CG1 4.2Å; I157-V195 HydrophobicContact CD1-CG1 3.55Å; F169-V195 HydrophobicContact CE1-CG2 4.27Å; P176-V195 HydrophobicContact CB-CB 4.28Å; P176-V195 PolarHBondContact O-N 2.74Å; I178-V195 HydrophobicContact CG2-CG2 4.25Å; V195-L197 PolarHBondContact O-N 3.26Å; V195-F202 HydrophobicContact CG2-CD1 4.15Å; V195-F202 HydrophobicContact CG2-CE1 3.83Å |
| 196 | S | 96.5 | Very high | 96 | Very high | 17 Ų | 17 | 62.8 Ų | 62.8 | 12% | 0.119 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 103.9 | 174.4 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | R198 E199 K200 E201 | S196-R198 PolarHBondContact O-N 2.93Å; S196-E199 WeakPolarHBondContact OG-CB 3.36Å; S196-E199 WeakPolarHBondContact OG-CG 3Å; S196-E199 PolarHBondContact OG-N 3.08Å; S196-K200 VanDerWaalsContact O-CA 3.23Å; S196-K200 WeakPolarHBondContact O-CA 3.46Å; S196-K200 PolarHBondContact O-N 2.99Å; S196-E201 PolarHBondContact N-O 3.3Å |
| 197 | L | 92.7 | Very high | 96.1 | Very high | 67 Ų | 67 | 57.6 Ų | 57.6 | 35% | 0.351 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -29.3 | 173 | -81.9 | 174.9 | 0 | 0 | 0 | 113.3 | M130 V142 P144 F155 V195 | M130-L197 HydrophobicContact CE-CD1 3.69Å; M130-L197 HydrophobicContact CE-CD2 3.38Å; M130-L197 HydrophobicContact CE-CG 3.28Å; V142-L197 HydrophobicContact CG1-CD2 4.04Å; P144-L197 HydrophobicContact CB-CD2 4.35Å; P144-L197 HydrophobicContact CG-CD2 3.98Å; F155-L197 HydrophobicContact CE1-CD2 4.25Å; F155-L197 HydrophobicContact CZ-CD2 4.06Å; V195-L197 PolarHBondContact O-N 3.26Å |
| 198 | R | 93.9 | Very high | 96.1 | Very high | 205 Ų | 205 | 62 Ų | 62 | 77% | 0.774 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -50.4 | -177 | -171 | -179 | 71.1 | -148.9 | -4.2 | 111.6 | S196 | S196-R198 PolarHBondContact O-N 2.93Š|
| 199 | E | 95.5 | Very high | 96 | Very high | 99 Ų | 99 | 62.3 Ų | 62.3 | 46% | 0.463 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -13.7 | -178.2 | -52.2 | -53.4 | 151.3 | 0 | 0 | 112.4 | S196 E201 | S196-E199 WeakPolarHBondContact OG-CB 3.36Å; S196-E199 WeakPolarHBondContact OG-CG 3Å; S196-E199 PolarHBondContact OG-N 3.08Å; E199-E201 VanDerWaalsContact C-N 3.28Å; E199-E201 HydrophobicContact CB-CG 3.83Å; E199-E201 PolarHBondContact O-N 2.67Å |
| 200 | K | 95.4 | Very high | 95.9 | Very high | 119 Ų | 119 | 65.1 Ų | 65.1 | 52% | 0.517 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 40.6 | -176.5 | -57 | -176.7 | 176.7 | -178.4 | 0 | 112.9 | F155 S196 | F155-K200 HydrophobicContact CD1-CD 4.43Å; F155-K200 HydrophobicContact CD2-CB 3.88Å; F155-K200 HydrophobicContact CD2-CD 3.85Å; F155-K200 HydrophobicContact CD2-CG 3.93Å; F155-K200 HydrophobicContact CE1-CG 4.47Å; F155-K200 HydrophobicContact CE2-CB 3.57Å; F155-K200 HydrophobicContact CE2-CD 4.05Å; F155-K200 HydrophobicContact CE2-CG 3.61Å; F155-K200 HydrophobicContact CG-CD 4.05Å; F155-K200 HydrophobicContact CG-CG 4.5Å; F155-K200 HydrophobicContact CZ-CB 4.31Å; F155-K200 HydrophobicContact CZ-CD 4.42Å; F155-K200 HydrophobicContact CZ-CG 3.91Å; S196-K200 VanDerWaalsContact O-CA 3.23Å; S196-K200 WeakPolarHBondContact O-CA 3.46Å; S196-K200 PolarHBondContact O-N 2.99Å |
| 201 | E | 96.7 | Very high | 95.6 | Very high | 97 Ų | 97 | 70.2 Ų | 70.2 | 45% | 0.453 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 165.7 | 179.8 | 73.5 | -170.1 | 167.6 | 0 | 0 | 111.2 | S196 E199 | S196-E201 PolarHBondContact N-O 3.3Å; E199-E201 VanDerWaalsContact C-N 3.28Å; E199-E201 HydrophobicContact CB-CG 3.83Å; E199-E201 PolarHBondContact O-N 2.67Å |
| 202 | F | 97.5 | Very high | 95.5 | Very high | 34 Ų | 34 | 69 Ų | 69 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 129.5 | 169.1 | -71.5 | -58.2 | 0 | 0 | 0 | 110.5 | F140 I157 R158 L159 I178 Y193 E194 V195 | F140-F202 HydrophobicContact CB-CE2 3.89Å; F140-F202 HydrophobicContact CB-CZ 3.44Å; F140-F202 VanDerWaalsContact CB-CZ 3.44Å; F140-F202 AromaticContact CD1-CE1 3.94Å; F140-F202 HydrophobicContact CD1-CE1 3.94Å; F140-F202 AromaticContact CD1-CZ 3.57Å; F140-F202 HydrophobicContact CD1-CZ 3.57Å; F140-F202 HydrophobicContact CE1-CE1 4.44Å; F140-F202 HydrophobicContact CE1-CZ 4.43Å; F140-F202 HydrophobicContact CG-CE1 4.4Å; F140-F202 AromaticContact CG-CZ 3.63Å; F140-F202 HydrophobicContact CG-CZ 3.63Å; I157-F202 HydrophobicContact CB-CD2 4.39Å; I157-F202 HydrophobicContact CB-CE2 4.06Å; I157-F202 HydrophobicContact CB-CZ 4.38Å; I157-F202 HydrophobicContact CG2-CD1 4.34Å; I157-F202 HydrophobicContact CG2-CD2 3.35Å; I157-F202 HydrophobicContact CG2-CE1 4.48Å; I157-F202 HydrophobicContact CG2-CE2 3.5Å; I157-F202 VanDerWaalsContact CG2-CE2 3.5Å; I157-F202 HydrophobicContact CG2-CG 3.81Å; I157-F202 HydrophobicContact CG2-CZ 4.11Å; R158-F202 VanDerWaalsContact O-CD2 3.31Å; R158-F202 WeakPolarHBondContact O-CD2 3.15Å; L159-F202 HydrophobicContact CB-CE2 4.1Å; L159-F202 HydrophobicContact CD1-CD2 4.16Å; L159-F202 HydrophobicContact CD1-CE2 3.56Å; L159-F202 HydrophobicContact CD1-CZ 4.06Å; L159-F202 HydrophobicContact CG-CE2 4.4Å; I178-F202 HydrophobicContact CD1-CD1 4.45Å; I178-F202 HydrophobicContact CD1-CE1 3.5Å; I178-F202 VanDerWaalsContact CD1-CE1 3.5Å; I178-F202 HydrophobicContact CD1-CZ 3.73Å; I178-F202 HydrophobicContact CG1-CE1 4.2Å; Y193-F202 HydrophobicContact CD1-CB 4.37Å; Y193-F202 HydrophobicContact CD2-CB 4.26Å; Y193-F202 HydrophobicContact CD2-CD1 4.14Å; Y193-F202 HydrophobicContact CD2-CD2 4.1Å; Y193-F202 HydrophobicContact CD2-CE1 4.46Å; Y193-F202 HydrophobicContact CD2-CE2 4.46Å; Y193-F202 AromaticContact CD2-CG 3.93Å; Y193-F202 HydrophobicContact CD2-CG 3.93Å; Y193-F202 HydrophobicContact CG-CB 4.03Å; Y193-F202 HydrophobicContact CG-CD1 4.12Å; Y193-F202 HydrophobicContact CG-CG 4.05Å; E194-F202 WeakPolarHBondContact O-CA 3.35Å; V195-F202 HydrophobicContact CG2-CD1 4.15Å; V195-F202 HydrophobicContact CG2-CE1 3.83Å |
| 203 | N | 96.7 | Very high | 95.3 | Very high | 64 Ų | 64 | 70.6 Ų | 70.6 | 34% | 0.342 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 156 | 162.6 | -66.8 | -35.5 | 0 | 0 | 0 | 109.4 | E194 G205 | E194-N203 HydrophobicContact CB-CB 3.95Å; E194-N203 PolarHBondContact N-O 3.11Å; E194-N203 PolarHBondContact O-N 2.71Å; N203-G205 PolarHBondContact O-N 3.26Å |
| 204 | K | 94.8 | Very high | 95 | Very high | 186 Ų | 186 | 73.2 Ų | 73.2 | 81% | 0.809 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57 | 124.2 | 174.3 | -174.6 | -176.2 | 176.3 | -173.1 | 0 | 109.5 | ||
| 205 | G | 93.4 | Very high | 94.7 | Very high | 9 Ų | 9 | 74.4 Ų | 74.4 | 9% | 0.093 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 173.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T192 N203 W207 | T192-G205 VanDerWaalsContact O-CA 3.23Å; T192-G205 WeakPolarHBondContact O-CA 2.95Å; T192-G205 PolarHBondContact O-N 3.07Å; T192-G205 VanDerWaalsContact O-N 3.12Å; T192-G205 VanDerWaalsContact OG1-C 3.32Å; T192-G205 WeakPolarHBondContact OG1-CA 3.32Å; N203-G205 PolarHBondContact O-N 3.26Å; G205-W207 VanDerWaalsContact C-N 3.34Å; G205-W207 PolarHBondContact O-N 2.93Å |
| 206 | P | 94 | Very high | 94.6 | Very high | 78 Ų | 78 | 74.3 Ų | 74.3 | 51% | 0.506 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | -32.2 | -172.2 | 24.5 | -36.1 | 0 | 0 | 0 | 114.3 | T177 T192 | T177-P206 HydrophobicContact CG2-CG 4.19Å; T192-P206 WeakPolarHBondContact OG1-CD 3.41Å |
| 207 | W | 95.8 | Very high | 94.5 | Very high | 27 Ų | 27 | 75.2 Ų | 75.2 | 10% | 0.102 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 166.3 | -175.9 | 54.1 | -96.6 | 0 | 0 | 0 | 113.4 | L170 C179 V190 T192 G205 A229 H240 N241 G242 | L170-W207 HydrophobicContact CD1-CZ2 4.05Å; C179-W207 VanDerWaalsContact SG-CH2 3.57Å; V190-W207 HydrophobicContact CG1-CH2 4.1Å; V190-W207 HydrophobicContact CG1-CZ3 3.65Å; T192-W207 WeakPolarHBondContact CB-O 3.23Å; T192-W207 HydrophobicContact CG2-CD2 3.79Å; T192-W207 HydrophobicContact CG2-CE3 4.05Å; T192-W207 HydrophobicContact CG2-CG 4.39Å; T192-W207 HydrophobicContact CG2-CH2 4.05Å; T192-W207 HydrophobicContact CG2-CZ2 3.79Å; T192-W207 HydrophobicContact CG2-CZ3 4.18Å; T192-W207 PolarHBondContact N-O 3.24Å; T192-W207 PolarHBondContact OG1-N 3.33Å; T192-W207 VanDerWaalsContact OG1-N 3.08Å; T192-W207 PolarHBondContact OG1-O 2.78Å; G205-W207 VanDerWaalsContact C-N 3.34Å; G205-W207 PolarHBondContact O-N 2.93Å; W207-A229 HydrophobicContact CH2-CB 4.31Å; W207-H240 AromaticContact CE3-CE1 3.94Å; W207-H240 AromaticContact CE3-CG 3.99Å; W207-H240 AromaticContact CE3-ND1 3.83Å; W207-H240 HydrophobicContact CH2-CB 4.24Å; W207-H240 WeakPolarHBondContact CZ2-O 3.37Å; W207-H240 HydrophobicContact CZ3-CB 4.11Å; W207-H240 AromaticContact CZ3-CG 3.84Å; W207-N241 PolarHBondContact NE1-O 2.99Å; W207-G242 VanDerWaalsContact CD1-CA 3.44Å; W207-G242 VanDerWaalsContact CG-CA 3.48Å |
| 208 | K | 95.2 | Very high | 94.6 | Very high | 116 Ų | 116 | 73.3 Ų | 73.3 | 50% | 0.504 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 154 | 174.3 | 64.5 | 173.2 | -170.2 | 155.7 | 0 | 109.7 | V190 K191 E210 | V190-K208 CarbonylContact O-C 3.58Å; V190-K208 WeakPolarHBondContact O-CA 3.41Å; V190-K208 WeakPolarHBondContact O-CB 3.39Å; K191-K208 HydrophobicContact CB-CB 4.5Å; K191-K208 HydrophobicContact CG-CB 4.2Å; K208-E210 WeakPolarHBondContact CD-OE1 3.32Å; K208-E210 VanDerWaalsContact CE-OE1 3.3Å; K208-E210 WeakPolarHBondContact CE-OE1 3.48Å; K208-E210 IonicContact NZ-OE1 3.65Å; K208-E210 PolarHBondContact NZ-OE1 2.9Å |
| 209 | Q | 95 | Very high | 94.8 | Very high | 53 Ų | 53 | 63.6 Ų | 63.6 | 25% | 0.248 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 119.4 | 174.7 | 178.2 | 61 | 54.9 | 0 | 0 | 109.6 | V190 V212 Y245 | V190-Q209 HydrophobicContact CB-CB 4.26Å; V190-Q209 PolarHBondContact N-O 3.49Å; V190-Q209 PolarHBondContact O-N 2.83Å; Q209-V212 HydrophobicContact CB-CG1 4.28Å; Q209-V212 HydrophobicContact CG-CG1 3.63Å; Q209-Y245 HydrophobicContact CG-CE2 3.98Å |
| 210 | E | 94.1 | Very high | 94.9 | Very high | 62 Ų | 62 | 59.1 Ų | 59.1 | 29% | 0.29 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 148.7 | 176.9 | -54.3 | -67.7 | 171 | 0 | 0 | 110.1 | H189 K208 | H189-E210 IonicContact CE1-OE2 2.73Å; H189-E210 PolarHBondContact CE1-OE2 2.88Å; H189-E210 IonicContact CG-OE2 3.47Å; H189-E210 WeakPolarHBondContact ND1-CA 3.23Å; H189-E210 IonicContact ND1-OE2 3.53Å; H189-E210 PolarHBondContact ND1-OE2 3.25Å; K208-E210 WeakPolarHBondContact CD-OE1 3.32Å; K208-E210 VanDerWaalsContact CE-OE1 3.3Å; K208-E210 WeakPolarHBondContact CE-OE1 3.48Å; K208-E210 IonicContact NZ-OE1 3.65Å; K208-E210 PolarHBondContact NZ-OE1 2.9Å |
| 211 | N | 92.5 | Very high | 95 | Very high | 111 Ų | 111 | 54.1 Ų | 54.1 | 59% | 0.594 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 56.4 | 56 | 174.7 | -48 | -51.5 | 0 | 0 | 0 | 113.2 | R188 H189 | R188-N211 CarbonylContact O-C 3.59Å; R188-N211 WeakPolarHBondContact O-CA 3.49Å; H189-N211 PolarHBondContact CE1-N 2.86Å; H189-N211 PolarHBondContact CE1-OD1 3.42Å; H189-N211 VanDerWaalsContact CE1-OD1 3.27Å; H189-N211 PolarHBondContact ND1-N 2.76Å |
| 212 | V | 94.6 | Very high | 95.1 | Very high | 14 Ų | 14 | 49.5 Ų | 49.5 | 9% | 0.085 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 174.1 | 165 | -60.5 | 0 | 0 | 0 | 0 | 110.1 | R188 V190 Q209 A214 A216 | R188-V212 VanDerWaalsContact C-CG2 3.5Å; R188-V212 HydrophobicContact CB-CG2 3.8Å; R188-V212 VanDerWaalsContact O-CG2 3.3Å; R188-V212 WeakPolarHBondContact O-CG2 3.48Å; R188-V212 PolarHBondContact O-N 2.85Å; V190-V212 HydrophobicContact CB-CG1 4.44Å; V190-V212 HydrophobicContact CG2-CG1 3.73Å; V190-V212 HydrophobicContact CG2-CG2 4.16Å; Q209-V212 HydrophobicContact CB-CG1 4.28Å; Q209-V212 HydrophobicContact CG-CG1 3.63Å; V212-A214 PolarHBondContact O-N 2.8Å; V212-A216 HydrophobicContact CG2-CB 3.91Å |
| 213 | E | 93.1 | Very high | 95 | Very high | 35 Ų | 35 | 48.2 Ų | 48.2 | 16% | 0.164 | 26% | 0.256 | C | S | . | . | trans | -49.8 | 136.4 | 178 | -167.2 | -158.9 | 134.9 | 0 | 0 | 112.2 | E215 A216 G233 Q234 E235 S236 | E213-E215 PolarHBondContact O-N 2.75Å; E213-E215 VanDerWaalsContact O-N 3.09Å; E213-A216 HydrophobicContact CB-CB 4.42Å; E213-A216 VanDerWaalsContact O-CB 3.23Å; E213-A216 WeakPolarHBondContact O-CB 3.49Å; E213-A216 PolarHBondContact O-N 2.83Å; E213-G233 VanDerWaalsContact OE2-CA 3.27Å; E213-G233 WeakPolarHBondContact OE2-CA 3.08Å; E213-Q234 PolarHBondContact OE1-N 3.42Å; E213-E235 PolarHBondContact OE1-N 2.99Å; E213-E235 PolarHBondContact OE2-N 3.44Å; E213-S236 WeakPolarHBondContact OE2-CA 3.45Å; E213-S236 WeakPolarHBondContact OE2-CB 3.31Å; E213-S236 PolarHBondContact OE2-N 3.3Å; E213-S236 PolarHBondContact OE2-OG 3.26Å | ||
| 214 | A | 91.8 | Very high | 94.8 | Very high | 76 Ų | 76 | 51.6 Ų | 51.6 | 63% | 0.628 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -23.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R188 V212 | R188-A214 WeakPolarHBondContact CD-O 3.33Å; R188-A214 PolarHBondContact NE-O 3.35Å; V212-A214 PolarHBondContact O-N 2.8Å |
| 215 | E | 92.3 | Very high | 94.7 | Very high | 91 Ų | 91 | 45.8 Ų | 45.8 | 43% | 0.425 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 12 | 178.2 | -59.7 | -148.5 | 176.7 | 0 | 0 | 114.3 | R188 E213 S217 Q234 | R188-E215 PolarHBondContact NH1-O 2.8Å; E213-E215 PolarHBondContact O-N 2.75Å; E213-E215 VanDerWaalsContact O-N 3.09Å; E215-S217 PolarHBondContact O-N 3Å; E215-Q234 HydrophobicContact CB-CB 3.82Å; E215-Q234 HydrophobicContact CG-CB 4.47Å; E215-Q234 PolarHBondContact OE1-OE1 3.21Å; E215-Q234 PolarHBondContact OE2-OE1 3.4Å |
| 216 | A | 94.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | trans | -52 | 107.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V181 R188 V212 E213 I231 I232 | V181-A216 HydrophobicContact CG1-CB 4.35Å; R188-A216 VanDerWaalsContact CD-O 3.32Å; R188-A216 WeakPolarHBondContact CD-O 3.14Å; R188-A216 PolarHBondContact NH1-O 3.48Å; V212-A216 HydrophobicContact CG2-CB 3.91Å; E213-A216 HydrophobicContact CB-CB 4.42Å; E213-A216 VanDerWaalsContact O-CB 3.23Å; E213-A216 WeakPolarHBondContact O-CB 3.49Å; E213-A216 PolarHBondContact O-N 2.83Å; A216-I231 HydrophobicContact CB-CG2 3.85Å; A216-I232 CarbonylContact C-O 3.59Å; A216-I232 WeakPolarHBondContact CA-O 3.32Å | ||
| 217 | S | 94.3 | Very high | 94.7 | Very high | 36 Ų | 36 | 42.9 Ų | 42.9 | 25% | 0.252 | 23% | 0.232 | S | C | . | . | trans | -113.5 | -16.3 | -167 | 60.5 | 0 | 0 | 0 | 0 | 114.1 | E215 I232 | E215-S217 PolarHBondContact O-N 3Å; S217-I232 PolarHBondContact N-O 3.03Å | ||
| 218 | M | 96.2 | Very high | 94.7 | Very high | 27 Ų | 27 | 42 Ų | 42 | 13% | 0.133 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 147.6 | -175.3 | -55 | -170.8 | 159.7 | 0 | 0 | 113.6 | I231 I232 V259 | M218-I231 WeakPolarHBondContact O-CA 3.41Å; M218-I232 HydrophobicContact CB-CB 4.18Å; M218-I232 PolarHBondContact N-O 3.03Å; M218-I232 PolarHBondContact O-N 3.31Å; M218-I232 VanDerWaalsContact O-N 3.1Å; M218-V259 WeakPolarHBondContact CE-O 3.27Å |
| 219 | V | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 127.1 | 169 | -177 | 0 | 0 | 0 | 0 | 108.9 | D166 K168 C179 V181 A229 I230 I231 | D166-V219 HydrophobicContact CB-CG2 4.22Å; D166-V219 PolarHBondContact OD2-N 2.93Å; K168-V219 HydrophobicContact CB-CG1 4.11Å; K168-V219 WeakPolarHBondContact CE-O 3.4Å; K168-V219 HydrophobicContact CG-CB 4.14Å; K168-V219 HydrophobicContact CG-CG1 4.09Å; K168-V219 WeakPolarHBondContact CG-O 3.3Å; C179-V219 HydrophobicContact CB-CG1 4.36Å; V181-V219 HydrophobicContact CB-CG2 4.25Å; V181-V219 HydrophobicContact CG2-CG2 3.47Å; V181-V219 VanDerWaalsContact CG2-CG2 3.47Å; V219-A229 HydrophobicContact CG1-CB 4.02Å; V219-I230 CarbonylContact C-O 3.59Å; V219-I230 WeakPolarHBondContact CA-O 3.36Å; V219-I231 HydrophobicContact CB-CD1 4.37Å; V219-I231 HydrophobicContact CG1-CD1 4.15Å; V219-I231 HydrophobicContact CG2-CD1 3.87Å |
| 220 | I | 97.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 113.9 | 173.9 | -50.2 | -179 | 0 | 0 | 0 | 107.8 | V222 A229 I230 I232 H261 Y271 L273 | I220-V222 PolarHBondContact O-N 2.93Å; I220-A229 CarbonylContact O-C 3.57Å; I220-A229 WeakPolarHBondContact O-CA 3.48Å; I220-I230 HydrophobicContact CB-CB 4.16Å; I220-I230 PolarHBondContact N-O 3.41Å; I220-I230 PolarHBondContact O-N 3.41Å; I220-I232 HydrophobicContact CD1-CD1 3.61Å; I220-I232 HydrophobicContact CD1-CG1 4.3Å; I220-I232 HydrophobicContact CG1-CD1 4.5Å; I220-H261 HydrophobicContact CD1-CB 3.85Å; I220-H261 VanDerWaalsContact CD1-CG 3.47Å; I220-Y271 HydrophobicContact CG2-CD1 3.99Å; I220-Y271 HydrophobicContact CG2-CE1 3.52Å; I220-L273 HydrophobicContact CD1-CD2 4.42Å |
| 221 | A | 97.5 | Very high | 95.1 | Very high | 15 Ų | 15 | 31.2 Ų | 31.2 | 12% | 0.124 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 130.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | K168 F169 Y171 | K168-A221 HydrophobicContact CB-CB 4.1Å; F169-A221 WeakPolarHBondContact O-CB 3.3Å; Y171-A221 HydrophobicContact CD2-CB 3.81Å; Y171-A221 HydrophobicContact CE2-CB 3.68Å |
| 222 | V | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -98.2 | 124 | -178.9 | -173.1 | 0 | 0 | 0 | 0 | 109 | I220 F226 G227 G228 I230 Y239 L285 | I220-V222 PolarHBondContact O-N 2.93Å; V222-F226 HydrophobicContact CG1-CB 3.78Å; V222-F226 HydrophobicContact CG1-CD2 4.12Å; V222-F226 HydrophobicContact CG1-CG 4.45Å; V222-G227 CarbonylContact O-C 3.57Å; V222-G227 VanDerWaalsContact O-CA 3.3Å; V222-G227 WeakPolarHBondContact O-CA 3.38Å; V222-G228 PolarHBondContact N-O 3.23Å; V222-I230 HydrophobicContact CG2-CD1 3.73Å; V222-I230 HydrophobicContact CG2-CG1 3.65Å; V222-Y239 HydrophobicContact CB-CE2 4.38Å; V222-Y239 HydrophobicContact CG1-CE2 4.44Å; V222-Y239 HydrophobicContact CG2-CD2 4.19Å; V222-Y239 HydrophobicContact CG2-CE2 4.09Å; V222-L285 HydrophobicContact CG1-CD2 3.99Å | ||
| 223 | P | 96.2 | Very high | 95.3 | Very high | 7 Ų | 7 | 25.5 Ų | 25.5 | 5% | 0.045 | 15% | 0.152 | C | C | . | . | trans | -69.1 | 174.1 | 177.2 | 33 | -39.2 | 0 | 0 | 0 | 112.3 | Y171 F226 G227 N267 Y271 | Y171-P223 HydrophobicContact CD1-CB 4.22Å; Y171-P223 HydrophobicContact CD2-CB 4.17Å; Y171-P223 HydrophobicContact CE1-CB 4.46Å; Y171-P223 HydrophobicContact CE2-CB 4.39Å; Y171-P223 HydrophobicContact CG-CB 4.09Å; P223-F226 PolarHBondContact O-N 2.94Å; P223-G227 PolarHBondContact O-N 2.87Å; P223-N267 VanDerWaalsContact CG-C 3.48Å; P223-Y271 WeakPolarHBondContact CD-OH 3.14Å | ||
| 224 | E | 92.5 | Very high | 95.2 | Very high | 134 Ų | 134 | 26.5 Ų | 26.5 | 63% | 0.626 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 144.6 | 167 | -72 | -177.3 | -176.5 | 0 | 0 | 110.7 | ||
| 225 | P | 92.3 | Very high | 95.2 | Very high | 64 Ų | 64 | 27.5 Ų | 27.5 | 42% | 0.416 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -89.4 | -11.8 | 13.7 | 35.3 | -36.7 | 0 | 0 | 0 | 115.3 | V295 | P225-V295 HydrophobicContact CB-CB 4.07Å; P225-V295 HydrophobicContact CB-CG1 4.41Å; P225-V295 HydrophobicContact CG-CB 4.07Å; P225-V295 HydrophobicContact CG-CG1 3.88Å |
| 226 | F | 93.2 | Very high | 95.3 | Very high | 11 Ų | 11 | 24.1 Ų | 24.1 | 5% | 0.048 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -42.1 | -173 | -54.5 | -61.5 | 0 | 0 | 0 | 112.7 | V222 P223 Y239 L285 K287 V295 L297 | V222-F226 HydrophobicContact CG1-CB 3.78Å; V222-F226 HydrophobicContact CG1-CD2 4.12Å; V222-F226 HydrophobicContact CG1-CG 4.45Å; P223-F226 PolarHBondContact O-N 2.94Å; F226-Y239 HydrophobicContact CB-CE2 4.42Å; F226-Y239 PolarHBondContact O-OH 3.1Å; F226-L285 HydrophobicContact CD2-CD2 4.04Å; F226-L285 HydrophobicContact CE2-CB 4.05Å; F226-L285 HydrophobicContact CE2-CD2 4.34Å; F226-L285 HydrophobicContact CZ-CB 4.39Å; F226-K287 HydrophobicContact CE1-CB 3.85Å; F226-K287 HydrophobicContact CZ-CB 3.88Å; F226-V295 HydrophobicContact CD1-CG1 4.45Å; F226-V295 HydrophobicContact CE1-CG1 3.93Å; F226-L297 HydrophobicContact CD1-CB 3.93Å; F226-L297 HydrophobicContact CD1-CD1 4.46Å; F226-L297 HydrophobicContact CE1-CB 4.28Å; F226-L297 HydrophobicContact CE1-CD1 4.25Å; F226-L297 HydrophobicContact CZ-CD1 4.43Å |
| 227 | G | 94 | Very high | 95.4 | Very high | 15 Ų | 15 | 24 Ų | 24 | 16% | 0.155 | 14% | 0.135 | C | C | . | . | trans | 61.6 | 178.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V222 P223 Y239 | V222-G227 CarbonylContact O-C 3.57Å; V222-G227 VanDerWaalsContact O-CA 3.3Å; V222-G227 WeakPolarHBondContact O-CA 3.38Å; P223-G227 PolarHBondContact O-N 2.87Å; G227-Y239 WeakPolarHBondContact O-CE2 3.32Å; G227-Y239 PolarHBondContact O-OH 3.3Å | ||
| 228 | G | 95.8 | Very high | 95.5 | Very high | 8 Ų | 8 | 22.7 Ų | 22.7 | 8% | 0.082 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 83.6 | -153.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L170 V222 H240 | L170-G228 WeakPolarHBondContact CD2-O 3.41Å; V222-G228 PolarHBondContact N-O 3.23Å; G228-H240 WeakPolarHBondContact CA-O 3.5Å |
| 229 | A | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 150.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L170 W207 V219 I220 I231 Y239 H240 | L170-A229 HydrophobicContact CD2-CB 4.11Å; W207-A229 HydrophobicContact CH2-CB 4.31Å; V219-A229 HydrophobicContact CG1-CB 4.02Å; I220-A229 CarbonylContact O-C 3.57Å; I220-A229 WeakPolarHBondContact O-CA 3.48Å; A229-I231 HydrophobicContact CB-CD1 4.37Å; A229-Y239 WeakPolarHBondContact O-CA 3.48Å; A229-H240 PolarHBondContact N-O 3.45Å; A229-H240 PolarHBondContact O-N 3.24Å |
| 230 | I | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 136.1 | 164.5 | -59.4 | 154.2 | 0 | 0 | 0 | 107.7 | V219 I220 V222 I232 I237 T238 Y239 Y271 L283 L285 | V219-I230 CarbonylContact C-O 3.59Å; V219-I230 WeakPolarHBondContact CA-O 3.36Å; I220-I230 HydrophobicContact CB-CB 4.16Å; I220-I230 PolarHBondContact N-O 3.41Å; I220-I230 PolarHBondContact O-N 3.41Å; V222-I230 HydrophobicContact CG2-CD1 3.73Å; V222-I230 HydrophobicContact CG2-CG1 3.65Å; I230-I232 HydrophobicContact CG2-CG1 4.21Å; I230-I237 HydrophobicContact CG2-CG2 3.46Å; I230-I237 VanDerWaalsContact CG2-CG2 3.46Å; I230-T238 CarbonylContact C-O 3.09Å; I230-T238 VanDerWaalsContact CA-O 3.27Å; I230-T238 WeakPolarHBondContact CA-O 3.28Å; I230-Y239 HydrophobicContact CG1-CD2 4.17Å; I230-Y271 HydrophobicContact CD1-CD2 4.09Å; I230-Y271 HydrophobicContact CD1-CE2 3.73Å; I230-L283 HydrophobicContact CD1-CD2 4.03Å; I230-L283 HydrophobicContact CG2-CD2 4.19Å; I230-L285 HydrophobicContact CD1-CD1 3.87Å; I230-L285 HydrophobicContact CD1-CD2 4.11Å |
| 231 | I | 97.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 24.1 Ų | 24.1 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 120.7 | 178.5 | -47.9 | -61.9 | 0 | 0 | 0 | 106.8 | V181 V190 A216 M218 V219 A229 I237 T238 | V181-I231 HydrophobicContact CG2-CD1 4.13Å; V181-I231 HydrophobicContact CG2-CG2 3.93Å; V190-I231 HydrophobicContact CG1-CD1 4.23Å; V190-I231 HydrophobicContact CG2-CD1 3.82Å; V190-I231 HydrophobicContact CG2-CG1 3.93Å; V190-I231 HydrophobicContact CG2-CG2 4.35Å; A216-I231 HydrophobicContact CB-CG2 3.85Å; M218-I231 WeakPolarHBondContact O-CA 3.41Å; V219-I231 HydrophobicContact CB-CD1 4.37Å; V219-I231 HydrophobicContact CG1-CD1 4.15Å; V219-I231 HydrophobicContact CG2-CD1 3.87Å; A229-I231 HydrophobicContact CB-CD1 4.37Å; I231-I237 WeakPolarHBondContact O-CA 3.31Å; I231-T238 PolarHBondContact N-O 3.49Å; I231-T238 PolarHBondContact O-N 3.41Å |
| 232 | I | 96.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 124.8 | 178.6 | -56.5 | -176.8 | 0 | 0 | 0 | 108.1 | A216 S217 M218 I220 I230 I237 I258 L273 | A216-I232 CarbonylContact C-O 3.59Å; A216-I232 WeakPolarHBondContact CA-O 3.32Å; S217-I232 PolarHBondContact N-O 3.03Å; M218-I232 HydrophobicContact CB-CB 4.18Å; M218-I232 PolarHBondContact N-O 3.03Å; M218-I232 PolarHBondContact O-N 3.31Å; M218-I232 VanDerWaalsContact O-N 3.1Å; I220-I232 HydrophobicContact CD1-CD1 3.61Å; I220-I232 HydrophobicContact CD1-CG1 4.3Å; I220-I232 HydrophobicContact CG1-CD1 4.5Å; I230-I232 HydrophobicContact CG2-CG1 4.21Å; I232-I237 HydrophobicContact CG1-CG1 4.44Å; I232-I237 HydrophobicContact CG1-CG2 4.45Å; I232-I237 HydrophobicContact CG2-CG1 4.41Å; I232-I258 HydrophobicContact CD1-CG2 4.35Å; I232-I258 HydrophobicContact CG2-CB 3.95Å; I232-I258 HydrophobicContact CG2-CG1 4.2Å; I232-I258 HydrophobicContact CG2-CG2 4.19Å; I232-L273 HydrophobicContact CD1-CD1 4.22Å; I232-L273 HydrophobicContact CD1-CD2 3.54Å |
| 233 | G | 94.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | trans | -113.9 | -170.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E213 S236 | E213-G233 VanDerWaalsContact OE2-CA 3.27Å; E213-G233 WeakPolarHBondContact OE2-CA 3.08Å; G233-S236 PolarHBondContact N-O 3.23Å | ||
| 234 | Q | 91.3 | Very high | 94.6 | Very high | 57 Ų | 57 | 35.4 Ų | 35.4 | 27% | 0.266 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -72.3 | -35.2 | 179.6 | -167.2 | -170 | 27.1 | 0 | 0 | 111.2 | E213 E215 I253 | E213-Q234 PolarHBondContact OE1-N 3.42Å; E215-Q234 HydrophobicContact CB-CB 3.82Å; E215-Q234 HydrophobicContact CG-CB 4.47Å; E215-Q234 PolarHBondContact OE1-OE1 3.21Å; E215-Q234 PolarHBondContact OE2-OE1 3.4Å; Q234-I253 CarbonylContact O-C 3.55Å |
| 235 | E | 91.4 | Very high | 94.6 | Very high | 96 Ų | 96 | 34 Ų | 34 | 45% | 0.449 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -103.7 | -24.1 | -175.1 | -68.2 | -162.2 | -141.2 | 0 | 0 | 114.8 | E213 A249 K254 | E213-E235 PolarHBondContact OE1-N 2.99Å; E213-E235 PolarHBondContact OE2-N 3.44Å; E235-A249 WeakPolarHBondContact O-CA 3.41Å; E235-A249 WeakPolarHBondContact O-CB 3.45Å; E235-K254 HydrophobicContact CG-CD 4.38Å; E235-K254 IonicContact OE2-NZ 3.02Å; E235-K254 PolarHBondContact OE2-NZ 3.2Å |
| 236 | S | 94.7 | Very high | 94.8 | Very high | 20 Ų | 20 | 32.8 Ų | 32.8 | 14% | 0.14 | 17% | 0.174 | C | C | . | . | trans | -144.3 | 152.9 | -170.4 | 72.6 | 0 | 0 | 0 | 0 | 113.8 | E213 G233 I248 | E213-S236 WeakPolarHBondContact OE2-CA 3.45Å; E213-S236 WeakPolarHBondContact OE2-CB 3.31Å; E213-S236 PolarHBondContact OE2-N 3.3Å; E213-S236 PolarHBondContact OE2-OG 3.26Å; G233-S236 PolarHBondContact N-O 3.23Å; S236-I248 CarbonylContact C-O 3.41Å; S236-I248 WeakPolarHBondContact CA-O 3.43Å; S236-I248 WeakPolarHBondContact CB-O 3.37Å | ||
| 237 | I | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 124 | 169.9 | -60.1 | 177.3 | 0 | 0 | 0 | 107.4 | I230 I231 I232 A247 I248 I253 L273 L283 L300 V302 | I230-I237 HydrophobicContact CG2-CG2 3.46Å; I230-I237 VanDerWaalsContact CG2-CG2 3.46Å; I231-I237 WeakPolarHBondContact O-CA 3.31Å; I232-I237 HydrophobicContact CG1-CG1 4.44Å; I232-I237 HydrophobicContact CG1-CG2 4.45Å; I232-I237 HydrophobicContact CG2-CG1 4.41Å; I237-A247 WeakPolarHBondContact O-CA 3.33Å; I237-I248 HydrophobicContact CB-CD1 4.42Å; I237-I248 HydrophobicContact CB-CG1 4.01Å; I237-I248 PolarHBondContact N-O 2.89Å; I237-I248 PolarHBondContact O-N 2.79Å; I237-I253 HydrophobicContact CD1-CD1 4.11Å; I237-I253 HydrophobicContact CG1-CD1 3.8Å; I237-L273 HydrophobicContact CD1-CD1 3.83Å; I237-L283 HydrophobicContact CD1-CD1 4.42Å; I237-L283 HydrophobicContact CG2-CD1 4.4Å; I237-L283 HydrophobicContact CG2-CD2 4.09Å; I237-L300 HydrophobicContact CG2-CD1 4.37Å; I237-V302 HydrophobicContact CD1-CG2 3.75Å |
| 238 | T | 96.6 | Very high | 94.9 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 4% | 0.043 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125.9 | -174.5 | -61 | 0 | 0 | 0 | 0 | 110.9 | I230 I231 Y245 L246 A247 | I230-T238 CarbonylContact C-O 3.09Å; I230-T238 VanDerWaalsContact CA-O 3.27Å; I230-T238 WeakPolarHBondContact CA-O 3.28Å; I231-T238 PolarHBondContact N-O 3.49Å; I231-T238 PolarHBondContact O-N 3.41Å; T238-Y245 HydrophobicContact CG2-CD2 3.96Å; T238-Y245 HydrophobicContact CG2-CE1 4.35Å; T238-Y245 HydrophobicContact CG2-CE2 3.27Å; T238-L246 CarbonylContact C-O 3.5Å; T238-L246 VanDerWaalsContact CA-O 3.28Å; T238-L246 WeakPolarHBondContact CA-O 3.3Å; T238-A247 HydrophobicContact CG2-CB 4.37Å |
| 239 | Y | 97.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 136 | 166.7 | 169.4 | -93.8 | 0 | 0 | 0 | 111 | V222 F226 G227 A229 I230 N241 K244 Y245 L246 L297 | V222-Y239 HydrophobicContact CB-CE2 4.38Å; V222-Y239 HydrophobicContact CG1-CE2 4.44Å; V222-Y239 HydrophobicContact CG2-CD2 4.19Å; V222-Y239 HydrophobicContact CG2-CE2 4.09Å; F226-Y239 HydrophobicContact CB-CE2 4.42Å; F226-Y239 PolarHBondContact O-OH 3.1Å; G227-Y239 WeakPolarHBondContact O-CE2 3.32Å; G227-Y239 PolarHBondContact O-OH 3.3Å; A229-Y239 WeakPolarHBondContact O-CA 3.48Å; I230-Y239 HydrophobicContact CG1-CD2 4.17Å; Y239-N241 HydrophobicContact CE1-CB 4.19Å; Y239-N241 WeakPolarHBondContact OH-CB 3.21Å; Y239-N241 PolarHBondContact OH-ND2 3.21Å; Y239-N241 VanDerWaalsContact OH-ND2 3.14Å; Y239-K244 HydrophobicContact CE1-CB 4.48Å; Y239-Y245 WeakPolarHBondContact O-CA 3.47Å; Y239-L246 PolarHBondContact N-O 3.02Å; Y239-L246 PolarHBondContact O-N 3.47Å; Y239-L297 HydrophobicContact CD1-CB 4.49Å; Y239-L297 HydrophobicContact CD1-CD2 3.36Å; Y239-L297 HydrophobicContact CD1-CG 4.5Å; Y239-L297 HydrophobicContact CD2-CD2 3.72Å; Y239-L297 HydrophobicContact CE1-CB 4.07Å; Y239-L297 HydrophobicContact CE1-CD2 3.73Å; Y239-L297 HydrophobicContact CE2-CD2 4.08Å; Y239-L297 HydrophobicContact CG-CD2 3.31Å |
| 240 | H | 96.2 | Very high | 94.6 | Very high | 15 Ų | 15 | 38.9 Ų | 38.9 | 7% | 0.069 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 129.9 | 175.1 | -164.6 | -27.8 | 0 | 0 | 0 | 111.7 | W207 G228 A229 G242 K244 Y245 | W207-H240 AromaticContact CE3-CE1 3.94Å; W207-H240 AromaticContact CE3-CG 3.99Å; W207-H240 AromaticContact CE3-ND1 3.83Å; W207-H240 HydrophobicContact CH2-CB 4.24Å; W207-H240 WeakPolarHBondContact CZ2-O 3.37Å; W207-H240 HydrophobicContact CZ3-CB 4.11Å; W207-H240 AromaticContact CZ3-CG 3.84Å; G228-H240 WeakPolarHBondContact CA-O 3.5Å; A229-H240 PolarHBondContact N-O 3.45Å; A229-H240 PolarHBondContact O-N 3.24Å; H240-G242 PolarHBondContact CE1-N 3.44Å; H240-G242 PolarHBondContact ND1-N 2.95Å; H240-K244 WeakPolarHBondContact CA-O 3.18Å; H240-Y245 HydrophobicContact CB-CD2 4.33Å; H240-Y245 AromaticContact CD2-CD2 3.56Å |
| 241 | N | 94.2 | Very high | 94.2 | Very high | 45 Ų | 45 | 44 Ų | 44 | 24% | 0.241 | 25% | 0.251 | C | S | . | . | trans | -121.9 | -5.7 | 174.9 | 72.3 | -3.5 | 0 | 0 | 0 | 116.1 | W207 Y239 D243 K244 | W207-N241 PolarHBondContact NE1-O 2.99Å; Y239-N241 HydrophobicContact CE1-CB 4.19Å; Y239-N241 WeakPolarHBondContact OH-CB 3.21Å; Y239-N241 PolarHBondContact OH-ND2 3.21Å; Y239-N241 VanDerWaalsContact OH-ND2 3.14Å; N241-D243 PolarHBondContact OD1-N 2.81Å; N241-D243 VanDerWaalsContact OD1-N 3.1Å; N241-K244 PolarHBondContact N-O 3.28Å; N241-K244 PolarHBondContact OD1-N 2.82Å; N241-K244 PolarHBondContact OD1-O 2.95Å | ||
| 242 | G | 92 | Very high | 93.8 | Very high | 32 Ų | 32 | 46.2 Ų | 46.2 | 33% | 0.33 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 122 | -38 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | W207 H240 | W207-G242 VanDerWaalsContact CD1-CA 3.44Å; W207-G242 VanDerWaalsContact CG-CA 3.48Å; H240-G242 PolarHBondContact CE1-N 3.44Å; H240-G242 PolarHBondContact ND1-N 2.95Å |
| 243 | D | 90.8 | Very high | 93.5 | Very high | 166 Ų | 166 | 46.1 Ų | 46.1 | 89% | 0.888 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -103.1 | -38.5 | -179.9 | -60.8 | -44.2 | 0 | 0 | 0 | 112 | N241 | N241-D243 PolarHBondContact OD1-N 2.81Å; N241-D243 VanDerWaalsContact OD1-N 3.1Å |
| 244 | K | 92.1 | Very high | 93.2 | Very high | 62 Ų | 62 | 50.3 Ų | 50.3 | 27% | 0.27 | 28% | 0.28 | S | S | . | . | trans | -114.4 | 136.3 | -178.5 | -164.9 | 163.6 | -168.5 | 170.4 | 0 | 110.8 | Y239 H240 N241 L246 L297 | Y239-K244 HydrophobicContact CE1-CB 4.48Å; H240-K244 WeakPolarHBondContact CA-O 3.18Å; N241-K244 PolarHBondContact N-O 3.28Å; N241-K244 PolarHBondContact OD1-N 2.82Å; N241-K244 PolarHBondContact OD1-O 2.95Å; K244-L246 HydrophobicContact CD-CD1 4.31Å; K244-L246 HydrophobicContact CD-CG 4.47Å; K244-L246 HydrophobicContact CG-CG 4.23Å; K244-L297 WeakPolarHBondContact CD-O 3.47Å; K244-L297 WeakPolarHBondContact CE-O 3.25Å; K244-L297 PolarHBondContact NZ-O 2.91Å | ||
| 245 | Y | 93.9 | Very high | 92.9 | Very high | 105 Ų | 105 | 53.4 Ų | 53.4 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 122.9 | 174.7 | 179.5 | -87.9 | 0 | 0 | 0 | 108.3 | Q209 T238 Y239 H240 A247 | Q209-Y245 HydrophobicContact CG-CE2 3.98Å; T238-Y245 HydrophobicContact CG2-CD2 3.96Å; T238-Y245 HydrophobicContact CG2-CE1 4.35Å; T238-Y245 HydrophobicContact CG2-CE2 3.27Å; Y239-Y245 WeakPolarHBondContact O-CA 3.47Å; H240-Y245 HydrophobicContact CB-CD2 4.33Å; H240-Y245 AromaticContact CD2-CD2 3.56Å; Y245-A247 HydrophobicContact CE1-CB 4.09Å |
| 246 | L | 95.3 | Very high | 92.8 | Very high | 37 Ų | 37 | 49.4 Ų | 49.4 | 19% | 0.194 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 133.3 | 177.6 | -70.7 | 174.9 | 0 | 0 | 0 | 108.8 | T238 Y239 K244 L297 | T238-L246 CarbonylContact C-O 3.5Å; T238-L246 VanDerWaalsContact CA-O 3.28Å; T238-L246 WeakPolarHBondContact CA-O 3.3Å; Y239-L246 PolarHBondContact N-O 3.02Å; Y239-L246 PolarHBondContact O-N 3.47Å; K244-L246 HydrophobicContact CD-CD1 4.31Å; K244-L246 HydrophobicContact CD-CG 4.47Å; K244-L246 HydrophobicContact CG-CG 4.23Å; L246-L297 HydrophobicContact CD1-CD2 3.91Å; L246-L297 HydrophobicContact CD1-CG 3.98Å |
| 247 | A | 94.5 | Very high | 92.8 | Very high | 54 Ų | 54 | 51 Ų | 51 | 45% | 0.446 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 136.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | I237 T238 Y245 | I237-A247 WeakPolarHBondContact O-CA 3.33Å; T238-A247 HydrophobicContact CG2-CB 4.37Å; Y245-A247 HydrophobicContact CE1-CB 4.09Å |
| 248 | I | 96 | Very high | 92.7 | Very high | 31 Ų | 31 | 51.1 Ų | 51.1 | 16% | 0.159 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 150 | 172.5 | 56.6 | 165.6 | 0 | 0 | 0 | 109.2 | S236 I237 P250 L283 L300 V302 | S236-I248 CarbonylContact C-O 3.41Å; S236-I248 WeakPolarHBondContact CA-O 3.43Å; S236-I248 WeakPolarHBondContact CB-O 3.37Å; I237-I248 HydrophobicContact CB-CD1 4.42Å; I237-I248 HydrophobicContact CB-CG1 4.01Å; I237-I248 PolarHBondContact N-O 2.89Å; I237-I248 PolarHBondContact O-N 2.79Å; I248-P250 HydrophobicContact CD1-CG 3.93Å; I248-P250 HydrophobicContact CG1-CG 4.34Å; I248-L283 HydrophobicContact CD1-CD1 4.45Å; I248-L300 HydrophobicContact CD1-CB 3.57Å; I248-L300 HydrophobicContact CG1-CB 3.95Å; I248-L300 HydrophobicContact CG1-CD1 4.21Å; I248-L300 HydrophobicContact CG2-CB 4Å; I248-V302 HydrophobicContact CD1-CG2 3.78Å |
| 249 | A | 94.3 | Very high | 92.7 | Very high | 56 Ų | 56 | 52.6 Ų | 52.6 | 46% | 0.463 | 30% | 0.295 | S | S | . | . | trans | -129.1 | 71.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | E235 | E235-A249 WeakPolarHBondContact O-CA 3.41Å; E235-A249 WeakPolarHBondContact O-CB 3.45Å | ||
| 250 | P | 92.4 | Very high | 92.7 | Very high | 21 Ų | 21 | 52.9 Ų | 52.9 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | trans | -58.2 | 128.7 | 178.5 | -20.6 | 32 | 0 | 0 | 0 | 110.7 | I248 I252 I253 V302 | I248-P250 HydrophobicContact CD1-CG 3.93Å; I248-P250 HydrophobicContact CG1-CG 4.34Å; P250-I252 HydrophobicContact CB-CG2 4.31Å; P250-I252 PolarHBondContact O-N 3.28Å; P250-I252 VanDerWaalsContact O-N 3.1Å; P250-I253 HydrophobicContact CB-CG1 4.22Å; P250-I253 HydrophobicContact CB-CG2 4.45Å; P250-I253 HydrophobicContact CG-CD1 4.35Å; P250-I253 HydrophobicContact CG-CG1 4.38Å; P250-I253 VanDerWaalsContact O-CG1 3.23Å; P250-I253 WeakPolarHBondContact O-CG1 3.49Å; P250-I253 PolarHBondContact O-N 2.99Å; P250-V302 HydrophobicContact CB-CB 4.46Å; P250-V302 HydrophobicContact CG-CB 3.97Å; P250-V302 HydrophobicContact CG-CG2 3.87Å | ||
| 251 | P | 90.1 | Very high | 92.7 | Very high | 108 Ų | 108 | 54.6 Ų | 54.6 | 70% | 0.701 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.1 | -179.7 | -27.3 | 35.2 | 0 | 0 | 0 | 113.9 | K254 | P251-K254 WeakPolarHBondContact O-CB 3.45Å; P251-K254 PolarHBondContact O-N 3.12Å |
| 252 | I | 88.6 | Confident | 92.9 | Very high | 52 Ų | 52 | 54 Ų | 54 | 27% | 0.267 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -32.4 | -175.9 | -160.9 | 165 | 0 | 0 | 0 | 113.6 | P250 K254 Q255 F281 L304 | P250-I252 HydrophobicContact CB-CG2 4.31Å; P250-I252 PolarHBondContact O-N 3.28Å; P250-I252 VanDerWaalsContact O-N 3.1Å; I252-K254 PolarHBondContact O-N 3.02Å; I252-Q255 PolarHBondContact O-N 3.03Å; I252-F281 HydrophobicContact CB-CE1 4.47Å; I252-F281 HydrophobicContact CD1-CE1 4.02Å; I252-F281 HydrophobicContact CG1-CE1 3.98Å; I252-F281 HydrophobicContact CG1-CZ 4.44Å; I252-F281 HydrophobicContact CG2-CD1 4.37Å; I252-F281 HydrophobicContact CG2-CE1 3.75Å; I252-L304 HydrophobicContact CD1-CB 4.03Å; I252-L304 HydrophobicContact CD1-CD2 3.77Å; I252-L304 HydrophobicContact CD1-CG 4.33Å |
| 253 | I | 90.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -75.5 | -17.1 | 178.6 | 66.5 | 164.5 | 0 | 0 | 0 | 112.1 | Q234 I237 P250 Q255 I258 V302 | Q234-I253 CarbonylContact O-C 3.55Å; I237-I253 HydrophobicContact CD1-CD1 4.11Å; I237-I253 HydrophobicContact CG1-CD1 3.8Å; P250-I253 HydrophobicContact CB-CG1 4.22Å; P250-I253 HydrophobicContact CB-CG2 4.45Å; P250-I253 HydrophobicContact CG-CD1 4.35Å; P250-I253 HydrophobicContact CG-CG1 4.38Å; P250-I253 VanDerWaalsContact O-CG1 3.23Å; P250-I253 WeakPolarHBondContact O-CG1 3.49Å; P250-I253 PolarHBondContact O-N 2.99Å; I253-Q255 PolarHBondContact O-N 2.96Å; I253-I258 HydrophobicContact CG2-CD1 4.4Å; I253-V302 HydrophobicContact CG2-CG1 4.36Å |
| 254 | K | 88.4 | Confident | 93.4 | Very high | 91 Ų | 91 | 49.6 Ų | 49.6 | 40% | 0.396 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -69.9 | -16 | 176.5 | -56.4 | -160.3 | 172.9 | -150.1 | 0 | 113.4 | E235 P251 I252 | E235-K254 HydrophobicContact CG-CD 4.38Å; E235-K254 IonicContact OE2-NZ 3.02Å; E235-K254 PolarHBondContact OE2-NZ 3.2Å; P251-K254 WeakPolarHBondContact O-CB 3.45Å; P251-K254 PolarHBondContact O-N 3.12Å; I252-K254 PolarHBondContact O-N 3.02Å |
| 255 | Q | 86 | Confident | 93.5 | Very high | 121 Ų | 121 | 48.2 Ų | 48.2 | 57% | 0.565 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -82 | -25.9 | -175.3 | -65.4 | 178 | -18.9 | 0 | 0 | 112.3 | I252 I253 | I252-Q255 PolarHBondContact O-N 3.03Å; I253-Q255 PolarHBondContact O-N 2.96Å |
| 256 | S | 89.6 | Confident | 93.4 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -155.3 | 144.8 | 177.6 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | I258 D275 M276 E277 | S256-I258 PolarHBondContact O-N 3.26Å; S256-D275 WeakPolarHBondContact CB-OD2 3.41Å; S256-M276 PolarHBondContact OG-N 3.27Å; S256-E277 PolarHBondContact OG-N 2.84Å |
| 257 | T | 92.8 | Very high | 93.3 | Very high | 53 Ų | 53 | 49.9 Ų | 49.9 | 33% | 0.325 | 28% | 0.282 | S | S | . | . | trans | -66.5 | 130.5 | 178.9 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | D275 M276 | T257-D275 VanDerWaalsContact O-CA 3.3Å; T257-D275 WeakPolarHBondContact O-CA 3.47Å; T257-D275 VanDerWaalsContact O-CB 3.31Å; T257-D275 WeakPolarHBondContact O-CB 3.24Å; T257-M276 PolarHBondContact O-N 3.43Å | ||
| 258 | I | 96.6 | Very high | 93.3 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 126.6 | 169.1 | -58 | -70 | 0 | 0 | 0 | 108.9 | I232 I253 S256 L273 D275 F281 | I232-I258 HydrophobicContact CD1-CG2 4.35Å; I232-I258 HydrophobicContact CG2-CB 3.95Å; I232-I258 HydrophobicContact CG2-CG1 4.2Å; I232-I258 HydrophobicContact CG2-CG2 4.19Å; I253-I258 HydrophobicContact CG2-CD1 4.4Å; S256-I258 PolarHBondContact O-N 3.26Å; I258-L273 HydrophobicContact CD1-CB 4.07Å; I258-L273 HydrophobicContact CG2-CB 4Å; I258-D275 HydrophobicContact CD1-CB 4.09Å; I258-F281 HydrophobicContact CD1-CD2 3.9Å; I258-F281 HydrophobicContact CD1-CE2 3.94Å |
| 259 | V | 95.2 | Very high | 93.3 | Very high | 37 Ų | 37 | 47 Ų | 47 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | -14.4 | -171.6 | -68.4 | 0 | 0 | 0 | 0 | 114.7 | M218 G274 M276 A311 | M218-V259 WeakPolarHBondContact CE-O 3.27Å; V259-G274 WeakPolarHBondContact CG2-O 3.01Å; V259-G274 PolarHBondContact N-O 3.04Å; V259-M276 HydrophobicContact CG1-CE 3.81Å; V259-M276 HydrophobicContact CG1-CG 3.53Å; V259-M276 HydrophobicContact CG1-SD 3.76Å; V259-A311 WeakPolarHBondContact CG2-O 3.48Å |
| 260 | C | 96.7 | Very high | 93.4 | Very high | 8 Ų | 8 | 48.6 Ų | 48.6 | 5% | 0.054 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 160.9 | 176.3 | 66.8 | 0 | 0 | 0 | 0 | 111.6 | L273 G274 E312 L314 | C260-L273 WeakPolarHBondContact O-CA 3.26Å; C260-G274 PolarHBondContact N-O 2.78Å; C260-G274 PolarHBondContact O-N 2.94Å; C260-E312 WeakPolarHBondContact CB-O 3.48Å; C260-L314 VanDerWaalsContact SG-CD1 3.53Å; C260-L314 VanDerWaalsContact SG-CG 3.56Å |
| 261 | H | 97.4 | Very high | 93.7 | Very high | 52 Ų | 52 | 47.7 Ų | 47.7 | 24% | 0.241 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 162 | 175 | 72.6 | -84.3 | 0 | 0 | 0 | 111.6 | I220 L272 L273 | I220-H261 HydrophobicContact CD1-CB 3.85Å; I220-H261 VanDerWaalsContact CD1-CG 3.47Å; H261-L272 CarbonylContact C-O 3.58Å; H261-L272 WeakPolarHBondContact CA-O 3.15Å; H261-L272 WeakPolarHBondContact CB-O 3.3Å; H261-L273 HydrophobicContact CB-CD2 3.68Å |
| 262 | N | 97.7 | Very high | 94.1 | Very high | 33 Ų | 33 | 42.6 Ų | 42.6 | 18% | 0.176 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 143.3 | 167.3 | -167.7 | -100.6 | 0 | 0 | 0 | 111.5 | Y271 L272 L314 Y316 | N262-Y271 CarbonylContact O-C 3.54Å; N262-Y271 VanDerWaalsContact O-CA 3.32Å; N262-Y271 WeakPolarHBondContact O-CA 3.14Å; N262-L272 PolarHBondContact N-O 3.14Å; N262-L272 PolarHBondContact O-N 2.64Å; N262-L314 HydrophobicContact CB-CB 3.84Å; N262-L314 WeakPolarHBondContact CB-O 3.48Å; N262-L314 PolarHBondContact ND2-O 3.35Å; N262-Y316 WeakPolarHBondContact OD1-CB 3.19Å; N262-Y316 PolarHBondContact OD1-N 2.89Å |
| 263 | R | 96.4 | Very high | 94.5 | Very high | 93 Ų | 93 | 40.1 Ų | 40.1 | 35% | 0.351 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 125.9 | 178.1 | -176.6 | -177.5 | 65.7 | 176 | -1.6 | 110.1 | D265 P266 Y271 | R263-D265 WeakPolarHBondContact CD-O 3.37Å; R263-D265 WeakPolarHBondContact CG-O 3.13Å; R263-P266 PolarHBondContact NH1-O 2.82Å; R263-P266 VanDerWaalsContact NH1-O 3.17Å; R263-Y271 HydrophobicContact CB-CD1 3.88Å; R263-Y271 HydrophobicContact CB-CE1 3.73Å; R263-Y271 HydrophobicContact CG-CD1 4.19Å; R263-Y271 HydrophobicContact CG-CE1 3.77Å |
| 264 | V | 96.4 | Very high | 94.9 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | trans | -85.4 | -51.9 | 178.4 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | R270 L272 M282 Y316 | V264-R270 HydrophobicContact CB-CB 3.95Å; V264-R270 HydrophobicContact CG1-CB 4.45Å; V264-R270 HydrophobicContact CG2-CB 4.43Å; V264-R270 PolarHBondContact N-O 2.88Å; V264-L272 HydrophobicContact CG2-CD1 3.97Å; V264-L272 HydrophobicContact CG2-CD2 4.44Å; V264-L272 HydrophobicContact CG2-CG 3.63Å; V264-M282 HydrophobicContact CG2-CE 4.25Å; V264-M282 HydrophobicContact CG2-SD 4.08Å; V264-Y316 HydrophobicContact CB-CD2 4.43Å; V264-Y316 HydrophobicContact CB-CG 4.39Å; V264-Y316 HydrophobicContact CG1-CD1 4.27Å; V264-Y316 HydrophobicContact CG1-CD2 3.84Å; V264-Y316 HydrophobicContact CG1-CE1 4.24Å; V264-Y316 HydrophobicContact CG1-CE2 3.8Å; V264-Y316 HydrophobicContact CG1-CG 4.08Å; V264-Y316 HydrophobicContact CG2-CD2 4.2Å; V264-Y316 HydrophobicContact CG2-CG 4.35Å | ||
| 265 | D | 95.1 | Very high | 95.2 | Very high | 33 Ų | 33 | 35.9 Ų | 35.9 | 18% | 0.176 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -97.4 | 137.4 | -176.8 | -62.9 | -44.4 | 0 | 0 | 0 | 111.5 | R263 N267 G268 R270 | R263-D265 WeakPolarHBondContact CD-O 3.37Å; R263-D265 WeakPolarHBondContact CG-O 3.13Å; D265-N267 WeakPolarHBondContact CB-OD1 3.43Å; D265-N267 PolarHBondContact O-N 2.78Å; D265-G268 PolarHBondContact O-N 3.48Å; D265-R270 IonicContact OD1-CZ 3.46Å; D265-R270 IonicContact OD1-NE 3.73Å; D265-R270 PolarHBondContact OD1-NE 2.93Å; D265-R270 IonicContact OD1-NH2 3.25Å; D265-R270 PolarHBondContact OD1-NH2 2.63Å; D265-R270 VanDerWaalsContact OD2-CB 3.32Å; D265-R270 WeakPolarHBondContact OD2-CB 3.43Å; D265-R270 VanDerWaalsContact OD2-CG 3.28Å; D265-R270 WeakPolarHBondContact OD2-CG 3.46Å; D265-R270 IonicContact OD2-CZ 2.84Å; D265-R270 IonicContact OD2-NE 3.89Å; D265-R270 PolarHBondContact OD2-NE 2.83Å; D265-R270 IonicContact OD2-NH2 2.7Å |
| 266 | P | 91.9 | Very high | 95.5 | Very high | 107 Ų | 107 | 34.7 Ų | 34.7 | 70% | 0.695 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -29.6 | 176.6 | -28.1 | 35.1 | 0 | 0 | 0 | 114.5 | R263 G268 | R263-P266 PolarHBondContact NH1-O 2.82Å; R263-P266 VanDerWaalsContact NH1-O 3.17Å; P266-G268 VanDerWaalsContact C-N 3.32Å |
| 267 | N | 92.8 | Very high | 95.7 | Very high | 70 Ų | 70 | 36 Ų | 36 | 37% | 0.374 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 1.8 | 177.9 | 71.8 | 1.3 | 0 | 0 | 0 | 114.2 | P223 D265 S269 | P223-N267 VanDerWaalsContact CG-C 3.48Å; D265-N267 WeakPolarHBondContact CB-OD1 3.43Å; D265-N267 PolarHBondContact O-N 2.78Å; N267-S269 PolarHBondContact ND2-OG 3.24Å; N267-S269 VanDerWaalsContact ND2-OG 3.08Å; N267-S269 PolarHBondContact O-N 2.96Å; N267-S269 WeakPolarHBondContact OD1-CB 3.28Å; N267-S269 PolarHBondContact OD1-N 3.05Å; N267-S269 PolarHBondContact OD1-OG 2.61Å |
| 268 | G | 94.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 71 | 25.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D265 P266 Y271 L285 | D265-G268 PolarHBondContact O-N 3.48Å; P266-G268 VanDerWaalsContact C-N 3.32Å; G268-Y271 WeakPolarHBondContact O-CE2 3.29Å; G268-L285 WeakPolarHBondContact O-CD2 3.17Å |
| 269 | S | 95.5 | Very high | 95.8 | Very high | 24 Ų | 24 | 34.2 Ų | 34.2 | 17% | 0.168 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -78.4 | -22.1 | 177.5 | -56.8 | 0 | 0 | 0 | 0 | 113.6 | N267 L285 | N267-S269 PolarHBondContact ND2-OG 3.24Å; N267-S269 VanDerWaalsContact ND2-OG 3.08Å; N267-S269 PolarHBondContact O-N 2.96Å; N267-S269 WeakPolarHBondContact OD1-CB 3.28Å; N267-S269 PolarHBondContact OD1-N 3.05Å; N267-S269 PolarHBondContact OD1-OG 2.61Å; S269-L285 PolarHBondContact O-N 3.29Å |
| 270 | R | 97.1 | Very high | 95.9 | Very high | 91 Ų | 91 | 32.5 Ų | 32.5 | 34% | 0.343 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 139 | -177.2 | -68.1 | -176.2 | -62.8 | 163.3 | 5.5 | 111.6 | V264 D265 M282 L283 L284 | V264-R270 HydrophobicContact CB-CB 3.95Å; V264-R270 HydrophobicContact CG1-CB 4.45Å; V264-R270 HydrophobicContact CG2-CB 4.43Å; V264-R270 PolarHBondContact N-O 2.88Å; D265-R270 IonicContact OD1-CZ 3.46Å; D265-R270 IonicContact OD1-NE 3.73Å; D265-R270 PolarHBondContact OD1-NE 2.93Å; D265-R270 IonicContact OD1-NH2 3.25Å; D265-R270 PolarHBondContact OD1-NH2 2.63Å; D265-R270 VanDerWaalsContact OD2-CB 3.32Å; D265-R270 WeakPolarHBondContact OD2-CB 3.43Å; D265-R270 VanDerWaalsContact OD2-CG 3.28Å; D265-R270 WeakPolarHBondContact OD2-CG 3.46Å; D265-R270 IonicContact OD2-CZ 2.84Å; D265-R270 IonicContact OD2-NE 3.89Å; D265-R270 PolarHBondContact OD2-NE 2.83Å; D265-R270 IonicContact OD2-NH2 2.7Å; R270-M282 HydrophobicContact CB-SD 3.82Å; R270-M282 HydrophobicContact CG-SD 4.34Å; R270-L283 CarbonylContact C-O 3.53Å; R270-L283 WeakPolarHBondContact CA-O 3.33Å; R270-L284 HydrophobicContact CG-CD2 4.47Å |
| 271 | Y | 98.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 139.7 | 176.7 | -62.6 | -95.7 | 0 | 0 | 0 | 110.2 | I220 P223 I230 N262 R263 G268 M282 L283 L285 | I220-Y271 HydrophobicContact CG2-CD1 3.99Å; I220-Y271 HydrophobicContact CG2-CE1 3.52Å; P223-Y271 WeakPolarHBondContact CD-OH 3.14Å; I230-Y271 HydrophobicContact CD1-CD2 4.09Å; I230-Y271 HydrophobicContact CD1-CE2 3.73Å; N262-Y271 CarbonylContact O-C 3.54Å; N262-Y271 VanDerWaalsContact O-CA 3.32Å; N262-Y271 WeakPolarHBondContact O-CA 3.14Å; R263-Y271 HydrophobicContact CB-CD1 3.88Å; R263-Y271 HydrophobicContact CB-CE1 3.73Å; R263-Y271 HydrophobicContact CG-CD1 4.19Å; R263-Y271 HydrophobicContact CG-CE1 3.77Å; G268-Y271 WeakPolarHBondContact O-CE2 3.29Å; Y271-M282 CarbonylContact O-C 3.58Å; Y271-M282 WeakPolarHBondContact O-CA 3.47Å; Y271-L283 PolarHBondContact N-O 2.82Å; Y271-L283 PolarHBondContact O-N 3.21Å; Y271-L285 HydrophobicContact CD2-CD1 4.08Å; Y271-L285 HydrophobicContact CE2-CD1 4.09Å; Y271-L285 HydrophobicContact CE2-CD2 4.29Å |
| 272 | L | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 139.8 | 166.8 | -67.4 | 166.6 | 0 | 0 | 0 | 109.3 | H261 N262 V264 L280 F281 M282 L305 L314 Y316 V322 L336 | H261-L272 CarbonylContact C-O 3.58Å; H261-L272 WeakPolarHBondContact CA-O 3.15Å; H261-L272 WeakPolarHBondContact CB-O 3.3Å; N262-L272 PolarHBondContact N-O 3.14Å; N262-L272 PolarHBondContact O-N 2.64Å; V264-L272 HydrophobicContact CG2-CD1 3.97Å; V264-L272 HydrophobicContact CG2-CD2 4.44Å; V264-L272 HydrophobicContact CG2-CG 3.63Å; L272-L280 HydrophobicContact CB-CD1 4.37Å; L272-L280 HydrophobicContact CD2-CD1 4.34Å; L272-L280 HydrophobicContact CD2-CD2 4.31Å; L272-L280 HydrophobicContact CD2-CG 4.28Å; L272-F281 CarbonylContact C-O 3.55Å; L272-F281 VanDerWaalsContact CA-O 3.32Å; L272-F281 WeakPolarHBondContact CA-O 3.31Å; L272-M282 HydrophobicContact CD2-CE 3.63Å; L272-M282 HydrophobicContact CD2-SD 4.12Å; L272-M282 HydrophobicContact CG-CE 4.42Å; L272-L305 HydrophobicContact CD2-CD1 3.68Å; L272-L314 HydrophobicContact CB-CD1 4.22Å; L272-Y316 HydrophobicContact CD1-CD2 4.5Å; L272-V322 HydrophobicContact CD1-CB 4.33Å; L272-V322 HydrophobicContact CD1-CG1 3.81Å; L272-V322 HydrophobicContact CD1-CG2 3.49Å; L272-V322 VanDerWaalsContact CD1-CG2 3.49Å; L272-L336 HydrophobicContact CD2-CD1 4Å |
| 273 | L | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 136 | 173.2 | -48.7 | 176.3 | 0 | 0 | 0 | 109.1 | I220 I232 I237 I258 C260 H261 F281 L283 | I220-L273 HydrophobicContact CD1-CD2 4.42Å; I232-L273 HydrophobicContact CD1-CD1 4.22Å; I232-L273 HydrophobicContact CD1-CD2 3.54Å; I237-L273 HydrophobicContact CD1-CD1 3.83Å; I258-L273 HydrophobicContact CD1-CB 4.07Å; I258-L273 HydrophobicContact CG2-CB 4Å; C260-L273 WeakPolarHBondContact O-CA 3.26Å; H261-L273 HydrophobicContact CB-CD2 3.68Å; L273-F281 HydrophobicContact CB-CB 4.23Å; L273-F281 PolarHBondContact N-O 3.43Å; L273-F281 PolarHBondContact O-N 3.14Å; L273-L283 HydrophobicContact CD1-CB 4Å; L273-L283 HydrophobicContact CG-CB 4.29Å |
| 274 | G | 97.5 | Very high | 96 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 139.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V259 C260 R279 | V259-G274 WeakPolarHBondContact CG2-O 3.01Å; V259-G274 PolarHBondContact N-O 3.04Å; C260-G274 PolarHBondContact N-O 2.78Å; C260-G274 PolarHBondContact O-N 2.94Å; G274-R279 WeakPolarHBondContact CA-O 3.45Å |
| 275 | D | 95.6 | Very high | 96 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 174 | 177.4 | 76.2 | 3.9 | 0 | 0 | 0 | 113.7 | S256 T257 I258 E277 G278 R279 F281 | S256-D275 WeakPolarHBondContact CB-OD2 3.41Å; T257-D275 VanDerWaalsContact O-CA 3.3Å; T257-D275 WeakPolarHBondContact O-CA 3.47Å; T257-D275 VanDerWaalsContact O-CB 3.31Å; T257-D275 WeakPolarHBondContact O-CB 3.24Å; I258-D275 HydrophobicContact CD1-CB 4.09Å; D275-E277 PolarHBondContact O-N 2.88Å; D275-E277 WeakPolarHBondContact OD1-CA 3.36Å; D275-E277 PolarHBondContact OD1-N 2.92Å; D275-G278 PolarHBondContact O-N 2.99Å; D275-G278 VanDerWaalsContact O-N 3.09Å; D275-G278 PolarHBondContact OD1-N 2.85Å; D275-R279 PolarHBondContact N-O 2.83Å; D275-R279 WeakPolarHBondContact OD1-CB 3.49Å; D275-R279 PolarHBondContact OD1-N 2.87Å; D275-R279 IonicContact OD1-NE 3.24Å; D275-R279 IonicContact OD2-CZ 3.86Å; D275-R279 IonicContact OD2-NE 3.11Å; D275-R279 PolarHBondContact OD2-NE 3.45Å; D275-R279 IonicContact OD2-NH2 3.94Å; D275-R279 PolarHBondContact OD2-NH2 2.97Å; D275-F281 HydrophobicContact CB-CE2 4.2Å |
| 276 | M | 92.7 | Very high | 96 | Very high | 95 Ų | 95 | 27.9 Ų | 27.9 | 47% | 0.468 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -17.2 | 177.6 | -77.1 | -61.4 | -157.3 | 0 | 0 | 115 | S256 T257 V259 G278 I310 | S256-M276 PolarHBondContact OG-N 3.27Å; T257-M276 PolarHBondContact O-N 3.43Å; V259-M276 HydrophobicContact CG1-CE 3.81Å; V259-M276 HydrophobicContact CG1-CG 3.53Å; V259-M276 HydrophobicContact CG1-SD 3.76Å; M276-G278 VanDerWaalsContact C-N 3.27Å; M276-I310 WeakPolarHBondContact O-CD1 3.39Å; M276-I310 WeakPolarHBondContact O-CG1 3.5Å; M276-I310 WeakPolarHBondContact O-CG2 3.36Å; M276-I310 HydrophobicContact SD-CG2 4.4Å |
| 277 | E | 92.6 | Very high | 95.9 | Very high | 40 Ų | 40 | 28.6 Ų | 28.6 | 19% | 0.187 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -0.6 | 173.2 | -70.4 | -173 | 131.2 | 0 | 0 | 112.3 | S256 D275 R279 K383 | S256-E277 PolarHBondContact OG-N 2.84Å; D275-E277 PolarHBondContact O-N 2.88Å; D275-E277 WeakPolarHBondContact OD1-CA 3.36Å; D275-E277 PolarHBondContact OD1-N 2.92Å; E277-R279 IonicContact OE2-CZ 2.88Å; E277-R279 IonicContact OE2-NE 3.58Å; E277-R279 PolarHBondContact OE2-NE 2.74Å; E277-R279 IonicContact OE2-NH1 2.87Å; E277-R279 PolarHBondContact OE2-NH1 2.82Å; E277-R279 IonicContact OE2-NH2 3.12Å; E277-R279 PolarHBondContact OE2-NH2 2.88Å; E277-K383 WeakPolarHBondContact O-CE 3.41Å; E277-K383 PolarHBondContact O-NZ 3.48Å |
| 278 | G | 95 | Very high | 95.8 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | trans | 71.8 | 28.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | D275 M276 E307 T308 K383 | D275-G278 PolarHBondContact O-N 2.99Å; D275-G278 VanDerWaalsContact O-N 3.09Å; D275-G278 PolarHBondContact OD1-N 2.85Å; M276-G278 VanDerWaalsContact C-N 3.27Å; G278-E307 CarbonylContact O-C 3.56Å; G278-E307 VanDerWaalsContact O-CA 3.32Å; G278-E307 WeakPolarHBondContact O-CA 3.2Å; G278-T308 PolarHBondContact O-N 2.72Å; G278-T308 VanDerWaalsContact O-O 3.1Å; G278-K383 PolarHBondContact O-NZ 3.18Å | ||
| 279 | R | 96.2 | Very high | 95.4 | Very high | 19 Ų | 19 | 35.9 Ų | 35.9 | 7% | 0.072 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 139.8 | 168.9 | -64.5 | 179.5 | -65.1 | -158.7 | -10.5 | 109.8 | G274 D275 E277 F281 L304 G306 E307 | G274-R279 WeakPolarHBondContact CA-O 3.45Å; D275-R279 PolarHBondContact N-O 2.83Å; D275-R279 WeakPolarHBondContact OD1-CB 3.49Å; D275-R279 PolarHBondContact OD1-N 2.87Å; D275-R279 IonicContact OD1-NE 3.24Å; D275-R279 IonicContact OD2-CZ 3.86Å; D275-R279 IonicContact OD2-NE 3.11Å; D275-R279 PolarHBondContact OD2-NE 3.45Å; D275-R279 IonicContact OD2-NH2 3.94Å; D275-R279 PolarHBondContact OD2-NH2 2.97Å; E277-R279 IonicContact OE2-CZ 2.88Å; E277-R279 IonicContact OE2-NE 3.58Å; E277-R279 PolarHBondContact OE2-NE 2.74Å; E277-R279 IonicContact OE2-NH1 2.87Å; E277-R279 PolarHBondContact OE2-NH1 2.82Å; E277-R279 IonicContact OE2-NH2 3.12Å; E277-R279 PolarHBondContact OE2-NH2 2.88Å; R279-F281 HydrophobicContact CB-CD2 4.49Å; R279-F281 HydrophobicContact CB-CE2 3.65Å; R279-F281 HydrophobicContact CB-CZ 3.75Å; R279-L304 HydrophobicContact CB-CD1 3.85Å; R279-L304 HydrophobicContact CG-CD1 4.26Å; R279-G306 WeakPolarHBondContact CA-O 3.49Å; R279-E307 HydrophobicContact CG-CG 4.14Å |
| 280 | L | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 126.2 | 177 | -170.6 | 69.8 | 0 | 0 | 0 | 109.5 | L272 L305 G306 T308 L314 L336 V347 | L272-L280 HydrophobicContact CB-CD1 4.37Å; L272-L280 HydrophobicContact CD2-CD1 4.34Å; L272-L280 HydrophobicContact CD2-CD2 4.31Å; L272-L280 HydrophobicContact CD2-CG 4.28Å; L280-L305 HydrophobicContact CD2-CD1 4.11Å; L280-L305 HydrophobicContact CG-CD1 4.2Å; L280-L305 WeakPolarHBondContact O-CB 3.3Å; L280-L305 PolarHBondContact O-N 3.48Å; L280-G306 PolarHBondContact N-O 2.79Å; L280-G306 PolarHBondContact O-N 2.91Å; L280-T308 HydrophobicContact CB-CG2 4.37Å; L280-T308 HydrophobicContact CD2-CG2 4.33Å; L280-L314 HydrophobicContact CD1-CD1 3.79Å; L280-L314 HydrophobicContact CD1-CD2 4.05Å; L280-L336 HydrophobicContact CD2-CD2 3.89Å; L280-V347 HydrophobicContact CD2-CG2 4.05Å |
| 281 | F | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 152.7 | 178.8 | -51.9 | -94.5 | 0 | 0 | 0 | 111.2 | I252 I258 L272 L273 D275 R279 V302 E303 L304 | I252-F281 HydrophobicContact CB-CE1 4.47Å; I252-F281 HydrophobicContact CD1-CE1 4.02Å; I252-F281 HydrophobicContact CG1-CE1 3.98Å; I252-F281 HydrophobicContact CG1-CZ 4.44Å; I252-F281 HydrophobicContact CG2-CD1 4.37Å; I252-F281 HydrophobicContact CG2-CE1 3.75Å; I258-F281 HydrophobicContact CD1-CD2 3.9Å; I258-F281 HydrophobicContact CD1-CE2 3.94Å; L272-F281 CarbonylContact C-O 3.55Å; L272-F281 VanDerWaalsContact CA-O 3.32Å; L272-F281 WeakPolarHBondContact CA-O 3.31Å; L273-F281 HydrophobicContact CB-CB 4.23Å; L273-F281 PolarHBondContact N-O 3.43Å; L273-F281 PolarHBondContact O-N 3.14Å; D275-F281 HydrophobicContact CB-CE2 4.2Å; R279-F281 HydrophobicContact CB-CD2 4.49Å; R279-F281 HydrophobicContact CB-CE2 3.65Å; R279-F281 HydrophobicContact CB-CZ 3.75Å; F281-V302 HydrophobicContact CB-CG1 4.04Å; F281-V302 HydrophobicContact CD1-CG1 3.97Å; F281-V302 HydrophobicContact CG-CG1 4.31Å; F281-E303 CarbonylContact C-O 3.47Å; F281-E303 WeakPolarHBondContact CA-O 3.28Å; F281-L304 HydrophobicContact CD1-CB 4.14Å; F281-L304 HydrophobicContact CD1-CD1 3.93Å; F281-L304 HydrophobicContact CE1-CB 4.22Å; F281-L304 HydrophobicContact CE1-CD1 3.66Å; F281-L304 HydrophobicContact CZ-CD1 4.1Å |
| 282 | M | 97.6 | Very high | 93.8 | Very high | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.069 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120 | 164.8 | -170.7 | 68.7 | 70.9 | 0 | 0 | 109.2 | V264 R270 Y271 L272 L284 V302 E303 L305 L336 | V264-M282 HydrophobicContact CG2-CE 4.25Å; V264-M282 HydrophobicContact CG2-SD 4.08Å; R270-M282 HydrophobicContact CB-SD 3.82Å; R270-M282 HydrophobicContact CG-SD 4.34Å; Y271-M282 CarbonylContact O-C 3.58Å; Y271-M282 WeakPolarHBondContact O-CA 3.47Å; L272-M282 HydrophobicContact CD2-CE 3.63Å; L272-M282 HydrophobicContact CD2-SD 4.12Å; L272-M282 HydrophobicContact CG-CE 4.42Å; M282-L284 HydrophobicContact CB-CD1 4.42Å; M282-L284 HydrophobicContact CG-CD1 4.06Å; M282-L284 HydrophobicContact CG-CG 4.04Å; M282-V302 WeakPolarHBondContact O-CA 3.33Å; M282-E303 PolarHBondContact N-O 3.05Å; M282-E303 PolarHBondContact O-N 2.99Å; M282-L305 HydrophobicContact CB-CD1 4.09Å; M282-L305 HydrophobicContact CB-CD2 3.97Å; M282-L305 HydrophobicContact CB-CG 4.11Å; M282-L305 HydrophobicContact CE-CD1 4.04Å; M282-L336 HydrophobicContact CE-CD1 4.19Å |
| 283 | L | 98 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 119.7 | 166.3 | 172.8 | 66.6 | 0 | 0 | 0 | 108.9 | I230 I237 I248 R270 Y271 L273 L285 L300 R301 V302 | I230-L283 HydrophobicContact CD1-CD2 4.03Å; I230-L283 HydrophobicContact CG2-CD2 4.19Å; I237-L283 HydrophobicContact CD1-CD1 4.42Å; I237-L283 HydrophobicContact CG2-CD1 4.4Å; I237-L283 HydrophobicContact CG2-CD2 4.09Å; I248-L283 HydrophobicContact CD1-CD1 4.45Å; R270-L283 CarbonylContact C-O 3.53Å; R270-L283 WeakPolarHBondContact CA-O 3.33Å; Y271-L283 PolarHBondContact N-O 2.82Å; Y271-L283 PolarHBondContact O-N 3.21Å; L273-L283 HydrophobicContact CD1-CB 4Å; L273-L283 HydrophobicContact CG-CB 4.29Å; L283-L285 HydrophobicContact CD2-CD1 4.26Å; L283-L285 HydrophobicContact CG-CD1 4.01Å; L283-L300 HydrophobicContact CD1-CB 4.42Å; L283-L300 HydrophobicContact CD1-CD2 4.39Å; L283-R301 CarbonylContact C-O 3.54Å; L283-R301 WeakPolarHBondContact CA-O 3.45Å; L283-V302 HydrophobicContact CD1-CG2 3.73Å |
| 284 | L | 97.2 | Very high | 92.4 | Very high | 41 Ų | 41 | 55.8 Ų | 55.8 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 133.7 | 178.1 | -54.7 | 99.5 | 0 | 0 | 0 | 110.5 | R270 M282 L300 R301 E303 | R270-L284 HydrophobicContact CG-CD2 4.47Å; M282-L284 HydrophobicContact CB-CD1 4.42Å; M282-L284 HydrophobicContact CG-CD1 4.06Å; M282-L284 HydrophobicContact CG-CG 4.04Å; L284-L300 WeakPolarHBondContact O-CA 3.21Å; L284-R301 HydrophobicContact CB-CB 4.38Å; L284-R301 HydrophobicContact CD1-CB 4.36Å; L284-R301 HydrophobicContact CD1-CG 4.47Å; L284-R301 PolarHBondContact N-O 2.9Å; L284-R301 PolarHBondContact O-N 3.05Å; L284-E303 HydrophobicContact CD1-CB 4.46Å; L284-E303 HydrophobicContact CD1-CG 3.91Å |
| 285 | L | 96.9 | Very high | 92 | Very high | 7 Ų | 7 | 57.6 Ų | 57.6 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 100.7 | 173.5 | -91.2 | 68.1 | 0 | 0 | 0 | 108.3 | V222 F226 I230 G268 S269 Y271 L283 K287 L297 L300 | V222-L285 HydrophobicContact CG1-CD2 3.99Å; F226-L285 HydrophobicContact CD2-CD2 4.04Å; F226-L285 HydrophobicContact CE2-CB 4.05Å; F226-L285 HydrophobicContact CE2-CD2 4.34Å; F226-L285 HydrophobicContact CZ-CB 4.39Å; I230-L285 HydrophobicContact CD1-CD1 3.87Å; I230-L285 HydrophobicContact CD1-CD2 4.11Å; G268-L285 WeakPolarHBondContact O-CD2 3.17Å; S269-L285 PolarHBondContact O-N 3.29Å; Y271-L285 HydrophobicContact CD2-CD1 4.08Å; Y271-L285 HydrophobicContact CE2-CD1 4.09Å; Y271-L285 HydrophobicContact CE2-CD2 4.29Å; L283-L285 HydrophobicContact CD2-CD1 4.26Å; L283-L285 HydrophobicContact CG-CD1 4.01Å; L285-K287 PolarHBondContact O-N 3.23Å; L285-L297 HydrophobicContact CB-CD1 3.4Å; L285-L297 HydrophobicContact CD2-CD1 4.01Å; L285-L297 HydrophobicContact CD2-CD2 4.32Å; L285-L297 HydrophobicContact CG-CD1 3.53Å; L285-L297 HydrophobicContact CG-CD2 4.22Å; L285-L300 HydrophobicContact CD1-CD2 3.58Å; L285-L300 HydrophobicContact CG-CD2 3.67Å |
| 286 | E | 94.1 | Very high | 91.7 | Very high | 70 Ų | 70 | 59.1 Ų | 59.1 | 33% | 0.327 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 122.3 | -178.1 | -66 | -167.1 | 175.8 | 0 | 0 | 110.5 | L297 K298 D299 | E286-L297 WeakPolarHBondContact O-CD1 3.43Å; E286-K298 HydrophobicContact CB-CB 4.35Å; E286-K298 WeakPolarHBondContact O-CA 3.41Å; E286-K298 VanDerWaalsContact O-CB 3.28Å; E286-K298 WeakPolarHBondContact O-CB 3.47Å; E286-K298 PolarHBondContact O-N 3.1Å; E286-D299 HydrophobicContact CB-CB 4.45Å; E286-D299 PolarHBondContact N-O 2.97Å |
| 287 | K | 90.7 | Very high | 91.7 | Very high | 122 Ų | 122 | 54.7 Ų | 54.7 | 53% | 0.53 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 146.8 | 177.4 | 64.5 | 170 | -174.9 | 158 | 0 | 113.1 | F226 L285 E289 V295 | F226-K287 HydrophobicContact CE1-CB 3.85Å; F226-K287 HydrophobicContact CZ-CB 3.88Å; L285-K287 PolarHBondContact O-N 3.23Å; K287-E289 IonicContact NZ-OE1 3.39Å; K287-E289 PolarHBondContact NZ-OE1 3.17Å; K287-V295 HydrophobicContact CB-CG1 3.83Å; K287-V295 HydrophobicContact CD-CG1 4.3Å |
| 288 | E | 89.3 | Confident | 91.7 | Very high | 95 Ų | 95 | 58 Ų | 58 | 44% | 0.444 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 122 | 164.7 | 174.3 | 172.2 | -145.3 | 0 | 0 | 108.8 | T296 K298 | E288-T296 PolarHBondContact N-O 2.89Å; E288-T296 PolarHBondContact O-N 3.49Å; E288-T296 PolarHBondContact O-OG1 2.93Å; E288-K298 HydrophobicContact CB-CB 3.81Å; E288-K298 HydrophobicContact CB-CD 4.43Å; E288-K298 HydrophobicContact CB-CG 4.2Å |
| 289 | E | 87.4 | Confident | 91.7 | Very high | 128 Ų | 128 | 61.5 Ų | 61.5 | 60% | 0.598 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 117.2 | 173.9 | -80.3 | 169.9 | -153 | 0 | 0 | 109.2 | K287 V295 | K287-E289 IonicContact NZ-OE1 3.39Å; K287-E289 PolarHBondContact NZ-OE1 3.17Å; E289-V295 HydrophobicContact CG-CG2 3.95Å |
| 290 | Q | 84.9 | Confident | 91.7 | Very high | 91 Ų | 91 | 60.9 Ų | 60.9 | 43% | 0.425 | 32% | 0.316 | S | S | . | . | trans | -76.9 | 164 | 177.2 | -60.4 | -165.2 | 18.2 | 0 | 0 | 111.2 | D292 G293 T294 T296 | Q290-D292 WeakPolarHBondContact CB-OD1 3.4Å; Q290-D292 PolarHBondContact O-N 2.61Å; Q290-D292 VanDerWaalsContact O-N 3.11Å; Q290-G293 PolarHBondContact O-N 2.66Å; Q290-T294 PolarHBondContact N-O 2.66Å; Q290-T296 HydrophobicContact CG-CG2 4.49Å; Q290-T296 VanDerWaalsContact NE2-CG2 3.25Å; Q290-T296 PolarHBondContact NE2-OG1 2.98Å | ||
| 291 | M | 84.7 | Confident | 91.6 | Very high | 210 Ų | 210 | 66.8 Ų | 66.8 | 100% | 1.034 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23.2 | -178.6 | -66.7 | -174 | -180 | 0 | 0 | 113.9 | G293 | M291-G293 VanDerWaalsContact C-N 3.31Š|
| 292 | D | 86.6 | Confident | 91.6 | Very high | 113 Ų | 113 | 68 Ų | 68 | 60% | 0.604 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 0.6 | 176.7 | 66.9 | -3.4 | 0 | 0 | 0 | 113.6 | Q290 T294 | Q290-D292 WeakPolarHBondContact CB-OD1 3.4Å; Q290-D292 PolarHBondContact O-N 2.61Å; Q290-D292 VanDerWaalsContact O-N 3.11Å; D292-T294 VanDerWaalsContact C-N 3.34Å; D292-T294 VanDerWaalsContact OD1-CB 3.31Å; D292-T294 WeakPolarHBondContact OD1-CB 3.45Å; D292-T294 WeakPolarHBondContact OD1-CG2 3.14Å; D292-T294 PolarHBondContact OD1-N 3.08Å; D292-T294 PolarHBondContact OD1-OG1 2.9Å; D292-T294 WeakPolarHBondContact OD2-CG2 2.85Å; D292-T294 PolarHBondContact OD2-OG1 2.81Å |
| 293 | G | 83.8 | Confident | 91.5 | Very high | 58 Ų | 58 | 70.4 Ų | 70.4 | 60% | 0.598 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 85.3 | 0.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q290 M291 | Q290-G293 PolarHBondContact O-N 2.66Å; M291-G293 VanDerWaalsContact C-N 3.31Å |
| 294 | T | 85.2 | Confident | 91.4 | Very high | 63 Ų | 63 | 73.8 Ų | 73.8 | 39% | 0.387 | 38% | 0.375 | S | S | . | . | trans | -72.8 | 135.5 | 174.9 | 62.1 | 0 | 0 | 0 | 0 | 110.7 | Q290 D292 | Q290-T294 PolarHBondContact N-O 2.66Å; D292-T294 VanDerWaalsContact C-N 3.34Å; D292-T294 VanDerWaalsContact OD1-CB 3.31Å; D292-T294 WeakPolarHBondContact OD1-CB 3.45Å; D292-T294 WeakPolarHBondContact OD1-CG2 3.14Å; D292-T294 PolarHBondContact OD1-N 3.08Å; D292-T294 PolarHBondContact OD1-OG1 2.9Å; D292-T294 WeakPolarHBondContact OD2-CG2 2.85Å; D292-T294 PolarHBondContact OD2-OG1 2.81Å | ||
| 295 | V | 87.5 | Confident | 91.4 | Very high | 40 Ų | 40 | 72.6 Ų | 72.6 | 24% | 0.242 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 123.7 | 176.5 | -179 | 0 | 0 | 0 | 0 | 108 | P225 F226 K287 E289 | P225-V295 HydrophobicContact CB-CB 4.07Å; P225-V295 HydrophobicContact CB-CG1 4.41Å; P225-V295 HydrophobicContact CG-CB 4.07Å; P225-V295 HydrophobicContact CG-CG1 3.88Å; F226-V295 HydrophobicContact CD1-CG1 4.45Å; F226-V295 HydrophobicContact CE1-CG1 3.93Å; K287-V295 HydrophobicContact CB-CG1 3.83Å; K287-V295 HydrophobicContact CD-CG1 4.3Å; E289-V295 HydrophobicContact CG-CG2 3.95Å |
| 296 | T | 89.8 | Confident | 91.4 | Very high | 34 Ų | 34 | 72.7 Ų | 72.7 | 21% | 0.209 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 151.8 | 175.3 | 58.3 | 0 | 0 | 0 | 0 | 110.7 | E288 Q290 K298 | E288-T296 PolarHBondContact N-O 2.89Å; E288-T296 PolarHBondContact O-N 3.49Å; E288-T296 PolarHBondContact O-OG1 2.93Å; Q290-T296 HydrophobicContact CG-CG2 4.49Å; Q290-T296 VanDerWaalsContact NE2-CG2 3.25Å; Q290-T296 PolarHBondContact NE2-OG1 2.98Å; T296-K298 PolarHBondContact O-N 3.12Å |
| 297 | L | 92.7 | Very high | 91.4 | Very high | 2 Ų | 2 | 74.2 Ų | 74.2 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 118.9 | 175.9 | -178.9 | 68.9 | 0 | 0 | 0 | 109.2 | F226 Y239 K244 L246 L285 E286 L300 | F226-L297 HydrophobicContact CD1-CB 3.93Å; F226-L297 HydrophobicContact CD1-CD1 4.46Å; F226-L297 HydrophobicContact CE1-CB 4.28Å; F226-L297 HydrophobicContact CE1-CD1 4.25Å; F226-L297 HydrophobicContact CZ-CD1 4.43Å; Y239-L297 HydrophobicContact CD1-CB 4.49Å; Y239-L297 HydrophobicContact CD1-CD2 3.36Å; Y239-L297 HydrophobicContact CD1-CG 4.5Å; Y239-L297 HydrophobicContact CD2-CD2 3.72Å; Y239-L297 HydrophobicContact CE1-CB 4.07Å; Y239-L297 HydrophobicContact CE1-CD2 3.73Å; Y239-L297 HydrophobicContact CE2-CD2 4.08Å; Y239-L297 HydrophobicContact CG-CD2 3.31Å; K244-L297 WeakPolarHBondContact CD-O 3.47Å; K244-L297 WeakPolarHBondContact CE-O 3.25Å; K244-L297 PolarHBondContact NZ-O 2.91Å; L246-L297 HydrophobicContact CD1-CD2 3.91Å; L246-L297 HydrophobicContact CD1-CG 3.98Å; L285-L297 HydrophobicContact CB-CD1 3.4Å; L285-L297 HydrophobicContact CD2-CD1 4.01Å; L285-L297 HydrophobicContact CD2-CD2 4.32Å; L285-L297 HydrophobicContact CG-CD1 3.53Å; L285-L297 HydrophobicContact CG-CD2 4.22Å; E286-L297 WeakPolarHBondContact O-CD1 3.43Å; L297-L300 HydrophobicContact CD2-CD2 3.82Å; L297-L300 HydrophobicContact CD2-CG 4.32Å |
| 298 | K | 93.2 | Very high | 91.7 | Very high | 109 Ų | 109 | 68.9 Ų | 68.9 | 47% | 0.474 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -54.2 | 178.2 | -171.5 | -172.1 | 168.7 | -158.7 | 0 | 112 | E286 E288 T296 | E286-K298 HydrophobicContact CB-CB 4.35Å; E286-K298 WeakPolarHBondContact O-CA 3.41Å; E286-K298 VanDerWaalsContact O-CB 3.28Å; E286-K298 WeakPolarHBondContact O-CB 3.47Å; E286-K298 PolarHBondContact O-N 3.1Å; E288-K298 HydrophobicContact CB-CB 3.81Å; E288-K298 HydrophobicContact CB-CD 4.43Å; E288-K298 HydrophobicContact CB-CG 4.2Å; T296-K298 PolarHBondContact O-N 3.12Å |
| 299 | D | 94.8 | Very high | 92.1 | Very high | 74 Ų | 74 | 64.4 Ų | 64.4 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 165.6 | -172.1 | -156.4 | 3.8 | 0 | 0 | 0 | 111.6 | E286 | E286-D299 HydrophobicContact CB-CB 4.45Å; E286-D299 PolarHBondContact N-O 2.97Å |
| 300 | L | 96.9 | Very high | 92.5 | Very high | 6 Ų | 6 | 58.6 Ų | 58.6 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 137.9 | 173.6 | -64.5 | 173.9 | 0 | 0 | 0 | 109.7 | I237 I248 L283 L284 L285 L297 | I237-L300 HydrophobicContact CG2-CD1 4.37Å; I248-L300 HydrophobicContact CD1-CB 3.57Å; I248-L300 HydrophobicContact CG1-CB 3.95Å; I248-L300 HydrophobicContact CG1-CD1 4.21Å; I248-L300 HydrophobicContact CG2-CB 4Å; L283-L300 HydrophobicContact CD1-CB 4.42Å; L283-L300 HydrophobicContact CD1-CD2 4.39Å; L284-L300 WeakPolarHBondContact O-CA 3.21Å; L285-L300 HydrophobicContact CD1-CD2 3.58Å; L285-L300 HydrophobicContact CG-CD2 3.67Å; L297-L300 HydrophobicContact CD2-CD2 3.82Å; L297-L300 HydrophobicContact CD2-CG 4.32Å |
| 301 | R | 95.7 | Very high | 93.1 | Very high | 125 Ų | 125 | 54.4 Ų | 54.4 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 135.3 | 176.5 | -172.2 | 175.1 | 179.6 | -137.6 | -12.8 | 110.9 | L283 L284 E303 | L283-R301 CarbonylContact C-O 3.54Å; L283-R301 WeakPolarHBondContact CA-O 3.45Å; L284-R301 HydrophobicContact CB-CB 4.38Å; L284-R301 HydrophobicContact CD1-CB 4.36Å; L284-R301 HydrophobicContact CD1-CG 4.47Å; L284-R301 PolarHBondContact N-O 2.9Å; L284-R301 PolarHBondContact O-N 3.05Å; R301-E303 IonicContact CZ-OE1 2.66Å; R301-E303 IonicContact NE-OE1 3.21Å; R301-E303 IonicContact NH1-OE1 2.8Å; R301-E303 PolarHBondContact NH1-OE1 3.48Å; R301-E303 IonicContact NH2-OE1 3.63Å; R301-E303 PolarHBondContact NH2-OE1 3.38Å |
| 302 | V | 96.5 | Very high | 93.7 | Very high | 26 Ų | 26 | 48.5 Ų | 48.5 | 16% | 0.158 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.6 | 174.9 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | I237 I248 P250 I253 F281 M282 L283 | I237-V302 HydrophobicContact CD1-CG2 3.75Å; I248-V302 HydrophobicContact CD1-CG2 3.78Å; P250-V302 HydrophobicContact CB-CB 4.46Å; P250-V302 HydrophobicContact CG-CB 3.97Å; P250-V302 HydrophobicContact CG-CG2 3.87Å; I253-V302 HydrophobicContact CG2-CG1 4.36Å; F281-V302 HydrophobicContact CB-CG1 4.04Å; F281-V302 HydrophobicContact CD1-CG1 3.97Å; F281-V302 HydrophobicContact CG-CG1 4.31Å; M282-V302 WeakPolarHBondContact O-CA 3.33Å; L283-V302 HydrophobicContact CD1-CG2 3.73Å |
| 303 | E | 95.4 | Very high | 94.3 | Very high | 64 Ų | 64 | 43.9 Ų | 43.9 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 133.8 | 175.1 | -64.9 | -175.6 | 148.9 | 0 | 0 | 109.8 | F281 M282 L284 R301 | F281-E303 CarbonylContact C-O 3.47Å; F281-E303 WeakPolarHBondContact CA-O 3.28Å; M282-E303 PolarHBondContact N-O 3.05Å; M282-E303 PolarHBondContact O-N 2.99Å; L284-E303 HydrophobicContact CD1-CB 4.46Å; L284-E303 HydrophobicContact CD1-CG 3.91Å; R301-E303 IonicContact CZ-OE1 2.66Å; R301-E303 IonicContact NE-OE1 3.21Å; R301-E303 IonicContact NH1-OE1 2.8Å; R301-E303 PolarHBondContact NH1-OE1 3.48Å; R301-E303 IonicContact NH2-OE1 3.63Å; R301-E303 PolarHBondContact NH2-OE1 3.38Å |
| 304 | L | 96.2 | Very high | 94.9 | Very high | 72 Ų | 72 | 41.3 Ų | 41.3 | 38% | 0.377 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 124.8 | 169.4 | 176.2 | 67.5 | 0 | 0 | 0 | 108.9 | I252 R279 F281 | I252-L304 HydrophobicContact CD1-CB 4.03Å; I252-L304 HydrophobicContact CD1-CD2 3.77Å; I252-L304 HydrophobicContact CD1-CG 4.33Å; R279-L304 HydrophobicContact CB-CD1 3.85Å; R279-L304 HydrophobicContact CG-CD1 4.26Å; F281-L304 HydrophobicContact CD1-CB 4.14Å; F281-L304 HydrophobicContact CD1-CD1 3.93Å; F281-L304 HydrophobicContact CE1-CB 4.22Å; F281-L304 HydrophobicContact CE1-CD1 3.66Å; F281-L304 HydrophobicContact CZ-CD1 4.1Å |
| 305 | L | 97.1 | Very high | 95.5 | Very high | 15 Ų | 15 | 38.3 Ų | 38.3 | 8% | 0.079 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -37.9 | 176.8 | -58.4 | 180 | 0 | 0 | 0 | 111.7 | L272 L280 M282 L336 S345 Y346 V347 | L272-L305 HydrophobicContact CD2-CD1 3.68Å; L280-L305 HydrophobicContact CD2-CD1 4.11Å; L280-L305 HydrophobicContact CG-CD1 4.2Å; L280-L305 WeakPolarHBondContact O-CB 3.3Å; L280-L305 PolarHBondContact O-N 3.48Å; M282-L305 HydrophobicContact CB-CD1 4.09Å; M282-L305 HydrophobicContact CB-CD2 3.97Å; M282-L305 HydrophobicContact CB-CG 4.11Å; M282-L305 HydrophobicContact CE-CD1 4.04Å; L305-L336 HydrophobicContact CD1-CD1 4.19Å; L305-L336 HydrophobicContact CD1-CD2 4Å; L305-S345 CarbonylContact O-C 3.44Å; L305-Y346 WeakPolarHBondContact O-CD2 3.31Å; L305-Y346 PolarHBondContact O-N 3.48Å; L305-V347 HydrophobicContact CB-CG2 3.85Å |
| 306 | G | 96.5 | Very high | 95.9 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 9% | 0.093 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.7 | -164.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112 | R279 L280 | R279-G306 WeakPolarHBondContact CA-O 3.49Å; L280-G306 PolarHBondContact N-O 2.79Å; L280-G306 PolarHBondContact O-N 2.91Å |
| 307 | E | 95.1 | Very high | 96.2 | Very high | 103 Ų | 103 | 37.2 Ų | 37.2 | 48% | 0.481 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 141.5 | 174.8 | -72 | -169.7 | -151.3 | 0 | 0 | 111.5 | G278 R279 K383 R753 | G278-E307 CarbonylContact O-C 3.56Å; G278-E307 VanDerWaalsContact O-CA 3.32Å; G278-E307 WeakPolarHBondContact O-CA 3.2Å; R279-E307 HydrophobicContact CG-CG 4.14Å; E307-K383 IonicContact OE2-NZ 3.53Å; E307-K383 PolarHBondContact OE2-NZ 2.88Å; E307-R753 IonicContact OE2-NH1 2.98Å; E307-R753 PolarHBondContact OE2-NH1 2.84Å; E307-R753 IonicContact OE2-NH2 3.63Å |
| 308 | T | 97 | Very high | 96.2 | Very high | 9 Ų | 9 | 41 Ų | 41 | 6% | 0.055 | 20% | 0.198 | C | C | . | . | trans | -126.7 | -174.2 | 170.5 | 60.5 | 0 | 0 | 0 | 0 | 109 | G278 L280 V324 V334 V347 K383 | G278-T308 PolarHBondContact O-N 2.72Å; G278-T308 VanDerWaalsContact O-O 3.1Å; L280-T308 HydrophobicContact CB-CG2 4.37Å; L280-T308 HydrophobicContact CD2-CG2 4.33Å; T308-V324 HydrophobicContact CG2-CG2 4.21Å; T308-V334 HydrophobicContact CG2-CG1 4.12Å; T308-V334 HydrophobicContact CG2-CG2 4.46Å; T308-V347 HydrophobicContact CG2-CG1 3.79Å; T308-K383 WeakPolarHBondContact O-CE 3.3Å; T308-K383 PolarHBondContact O-NZ 3.01Å | ||
| 309 | S | 96.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -54.5 | 152.1 | 160.2 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | A311 D330 Q332 E384 | S309-A311 PolarHBondContact O-N 3.26Å; S309-D330 WeakPolarHBondContact CB-O 3.25Å; S309-D330 PolarHBondContact OG-O 3.41Å; S309-Q332 WeakPolarHBondContact OG-CG 3.17Å; S309-Q332 PolarHBondContact OG-NE2 2.94Å; S309-Q332 PolarHBondContact OG-OE1 2.69Å; S309-E384 VanDerWaalsContact CA-OE1 3.22Å; S309-E384 WeakPolarHBondContact CA-OE1 3.49Å |
| 310 | I | 97.5 | Very high | 96.1 | Very high | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | trans | -59.7 | 112.7 | 173.2 | -57.4 | 173.3 | 0 | 0 | 0 | 109.1 | M276 S326 L328 F382 K383 E384 | M276-I310 WeakPolarHBondContact O-CD1 3.39Å; M276-I310 WeakPolarHBondContact O-CG1 3.5Å; M276-I310 WeakPolarHBondContact O-CG2 3.36Å; M276-I310 HydrophobicContact SD-CG2 4.4Å; I310-S326 VanDerWaalsContact O-CB 3.23Å; I310-S326 WeakPolarHBondContact O-CB 3.38Å; I310-S326 PolarHBondContact O-OG 2.85Å; I310-L328 HydrophobicContact CD1-CD1 4.3Å; I310-L328 HydrophobicContact CG2-CD1 4.19Å; I310-F382 HydrophobicContact CD1-CB 4.06Å; I310-F382 HydrophobicContact CD1-CD2 4.09Å; I310-K383 HydrophobicContact CD1-CG 4.15Å; I310-K383 HydrophobicContact CG1-CD 4.47Å; I310-K383 HydrophobicContact CG1-CG 4.2Å; I310-E384 HydrophobicContact CB-CG 4.36Å; I310-E384 HydrophobicContact CD1-CG 3.94Å; I310-E384 HydrophobicContact CG1-CG 3.96Å; I310-E384 PolarHBondContact N-OE1 2.92Å | ||
| 311 | A | 97.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | trans | -84.5 | 127.6 | -171 | 0 | 0 | 0 | 0 | 0 | 111.8 | V259 S309 L314 V324 | V259-A311 WeakPolarHBondContact CG2-O 3.48Å; S309-A311 PolarHBondContact O-N 3.26Å; A311-L314 HydrophobicContact CB-CD2 4Å; A311-L314 HydrophobicContact CB-CG 4.22Å; A311-V324 HydrophobicContact CB-CG1 3.78Å | ||
| 312 | E | 97.1 | Very high | 96.3 | Very high | 87 Ų | 87 | 34 Ų | 34 | 41% | 0.407 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -86.8 | -35.8 | 165 | -177.9 | 72.7 | -170 | 0 | 0 | 110 | C260 G325 R327 | C260-E312 WeakPolarHBondContact CB-O 3.48Å; E312-G325 PolarHBondContact N-O 2.82Å; E312-R327 HydrophobicContact CB-CB 4.04Å; E312-R327 HydrophobicContact CG-CB 4.2Å |
| 313 | C | 97.6 | Very high | 96.4 | Very high | 15 Ų | 15 | 32.8 Ų | 32.8 | 10% | 0.101 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 153.8 | 178.9 | 56.2 | 0 | 0 | 0 | 0 | 111.3 | C18 G325 | C18-C313 PolarHBondContact SG-SG 3.19Å; C313-G325 PolarHBondContact N-O 2.88Å; C313-G325 PolarHBondContact O-N 3.42Å |
| 314 | L | 97.7 | Very high | 96.5 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 146.7 | -178.4 | -69.5 | 169.5 | 0 | 0 | 0 | 110.1 | C260 N262 L272 L280 A311 V322 V324 | C260-L314 VanDerWaalsContact SG-CD1 3.53Å; C260-L314 VanDerWaalsContact SG-CG 3.56Å; N262-L314 HydrophobicContact CB-CB 3.84Å; N262-L314 WeakPolarHBondContact CB-O 3.48Å; N262-L314 PolarHBondContact ND2-O 3.35Å; L272-L314 HydrophobicContact CB-CD1 4.22Å; L280-L314 HydrophobicContact CD1-CD1 3.79Å; L280-L314 HydrophobicContact CD1-CD2 4.05Å; A311-L314 HydrophobicContact CB-CD2 4Å; A311-L314 HydrophobicContact CB-CG 4.22Å; L314-V322 HydrophobicContact CD2-CG1 4.33Å; L314-V324 HydrophobicContact CD2-CB 4.26Å; L314-V324 HydrophobicContact CD2-CG1 4.09Å; L314-V324 HydrophobicContact CD2-CG2 3.88Å |
| 315 | T | 96.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 113.5 | 171.7 | -72.6 | 0 | 0 | 0 | 0 | 110.5 | C18 T20 L31 L317 V322 F323 | C18-T315 PolarHBondContact O-OG1 3.21Å; C18-T315 PolarHBondContact SG-OG1 2.93Å; T20-T315 HydrophobicContact CG2-CG2 3.51Å; L31-T315 HydrophobicContact CD1-CG2 4.14Å; T315-L317 HydrophobicContact CG2-CD2 3.85Å; T315-V322 WeakPolarHBondContact O-CA 3.33Å; T315-F323 PolarHBondContact N-O 2.79Å; T315-F323 PolarHBondContact O-N 2.85Å |
| 316 | Y | 97.3 | Very high | 96.6 | Very high | 39 Ų | 39 | 25.6 Ų | 25.6 | 15% | 0.153 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 127.8 | 167.3 | -179.4 | -92.9 | 0 | 0 | 0 | 108.7 | T20 N262 V264 L272 N319 G320 V322 | T20-Y316 WeakPolarHBondContact CG2-O 3.28Å; N262-Y316 WeakPolarHBondContact OD1-CB 3.19Å; N262-Y316 PolarHBondContact OD1-N 2.89Å; V264-Y316 HydrophobicContact CB-CD2 4.43Å; V264-Y316 HydrophobicContact CB-CG 4.39Å; V264-Y316 HydrophobicContact CG1-CD1 4.27Å; V264-Y316 HydrophobicContact CG1-CD2 3.84Å; V264-Y316 HydrophobicContact CG1-CE1 4.24Å; V264-Y316 HydrophobicContact CG1-CE2 3.8Å; V264-Y316 HydrophobicContact CG1-CG 4.08Å; V264-Y316 HydrophobicContact CG2-CD2 4.2Å; V264-Y316 HydrophobicContact CG2-CG 4.35Å; L272-Y316 HydrophobicContact CD1-CD2 4.5Å; Y316-N319 PolarHBondContact OH-N 2.79Å; Y316-G320 PolarHBondContact OH-N 2.87Å; Y316-G320 VanDerWaalsContact OH-N 3.14Å; Y316-V322 HydrophobicContact CD2-CG2 3.97Å |
| 317 | L | 95.7 | Very high | 96.7 | Very high | 12 Ų | 12 | 28.3 Ų | 28.3 | 6% | 0.063 | 14% | 0.143 | C | C | . | . | trans | -95.3 | -83.8 | -179.6 | -58.7 | 176.7 | 0 | 0 | 0 | 109.5 | L29 L31 V44 L49 T315 V321 F323 L333 | L29-L317 HydrophobicContact CD2-CB 4.39Å; L29-L317 WeakPolarHBondContact CD2-O 3.43Å; L31-L317 HydrophobicContact CB-CD2 4.02Å; L31-L317 HydrophobicContact CD1-CD2 4.21Å; L31-L317 HydrophobicContact CG-CD2 4.47Å; V44-L317 HydrophobicContact CG1-CB 4.34Å; V44-L317 HydrophobicContact CG1-CD1 4.36Å; V44-L317 HydrophobicContact CG2-CB 4.43Å; V44-L317 HydrophobicContact CG2-CD1 4.13Å; V44-L317 HydrophobicContact CG2-CD2 3.99Å; V44-L317 HydrophobicContact CG2-CG 4.42Å; L49-L317 HydrophobicContact CD2-CD1 3.97Å; T315-L317 HydrophobicContact CG2-CD2 3.85Å; L317-V321 HydrophobicContact CD1-CG1 4.17Å; L317-V321 PolarHBondContact N-O 3.36Å; L317-F323 HydrophobicContact CD1-CB 4.46Å; L317-L333 HydrophobicContact CD1-CD1 3.75Å | ||
| 318 | D | 92.5 | Very high | 96.7 | Very high | 82 Ų | 82 | 24.9 Ų | 24.9 | 44% | 0.439 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -162 | 164.7 | 174.7 | -167.6 | 19.3 | 0 | 0 | 0 | 110.2 | L29 G320 V321 | L29-D318 HydrophobicContact CD2-CB 4.08Å; D318-G320 VanDerWaalsContact C-N 3.26Å; D318-G320 PolarHBondContact O-N 3.43Å; D318-G320 VanDerWaalsContact O-N 3.15Å; D318-V321 VanDerWaalsContact O-CB 3.31Å; D318-V321 WeakPolarHBondContact O-CB 3.44Å; D318-V321 WeakPolarHBondContact O-CG2 3.25Å; D318-V321 PolarHBondContact O-N 2.94Å |
| 319 | N | 92.1 | Very high | 96.7 | Very high | 127 Ų | 127 | 24.5 Ų | 24.5 | 68% | 0.679 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 38.5 | 173.7 | -61.2 | -57.2 | 0 | 0 | 0 | 115 | Y316 V321 | Y316-N319 PolarHBondContact OH-N 2.79Å; N319-V321 VanDerWaalsContact C-N 3.27Å; N319-V321 PolarHBondContact O-N 3.05Å |
| 320 | G | 94.6 | Very high | 96.8 | Very high | 13 Ų | 13 | 25.6 Ų | 25.6 | 13% | 0.134 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 7.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y316 D318 L336 | Y316-G320 PolarHBondContact OH-N 2.87Å; Y316-G320 VanDerWaalsContact OH-N 3.14Å; D318-G320 VanDerWaalsContact C-N 3.26Å; D318-G320 PolarHBondContact O-N 3.43Å; D318-G320 VanDerWaalsContact O-N 3.15Å; G320-L336 WeakPolarHBondContact O-CB 3.18Å; G320-L336 WeakPolarHBondContact O-CG 3.21Å; G320-L336 PolarHBondContact O-N 2.86Å |
| 321 | V | 96.9 | Very high | 96.8 | Very high | 25 Ų | 25 | 25.5 Ų | 25.5 | 15% | 0.152 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 134.1 | 178.3 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | L317 D318 N319 L333 V334 M350 | L317-V321 HydrophobicContact CD1-CG1 4.17Å; L317-V321 PolarHBondContact N-O 3.36Å; D318-V321 VanDerWaalsContact O-CB 3.31Å; D318-V321 WeakPolarHBondContact O-CB 3.44Å; D318-V321 WeakPolarHBondContact O-CG2 3.25Å; D318-V321 PolarHBondContact O-N 2.94Å; N319-V321 VanDerWaalsContact C-N 3.27Å; N319-V321 PolarHBondContact O-N 3.05Å; V321-L333 HydrophobicContact CG1-CD1 3.46Å; V321-L333 VanDerWaalsContact CG1-CD1 3.46Å; V321-L333 HydrophobicContact CG1-CD2 4.16Å; V321-L333 HydrophobicContact CG1-CG 3.7Å; V321-V334 CarbonylContact C-O 3.49Å; V321-V334 WeakPolarHBondContact CA-O 3.18Å; V321-M350 HydrophobicContact CG1-SD 4.09Å; V321-M350 HydrophobicContact CG2-SD 4.02Å |
| 322 | V | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 132.9 | -178.5 | -178.1 | 0 | 0 | 0 | 0 | 109 | L272 L314 T315 Y316 V324 V334 L336 | L272-V322 HydrophobicContact CD1-CB 4.33Å; L272-V322 HydrophobicContact CD1-CG1 3.81Å; L272-V322 HydrophobicContact CD1-CG2 3.49Å; L272-V322 VanDerWaalsContact CD1-CG2 3.49Å; L314-V322 HydrophobicContact CD2-CG1 4.33Å; T315-V322 WeakPolarHBondContact O-CA 3.33Å; Y316-V322 HydrophobicContact CD2-CG2 3.97Å; V322-V324 HydrophobicContact CG1-CG2 4.35Å; V322-V334 HydrophobicContact CB-CG2 3.81Å; V322-V334 HydrophobicContact CG1-CG2 4.48Å; V322-V334 PolarHBondContact N-O 3.06Å; V322-V334 PolarHBondContact O-N 3.38Å; V322-L336 HydrophobicContact CG2-CD1 3.76Å; V322-L336 HydrophobicContact CG2-CG 3.97Å |
| 323 | F | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 0% | 0.004 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 129.3 | 165.5 | -178.5 | -102.7 | 0 | 0 | 0 | 110.1 | V15 C18 L31 I33 L49 T315 L317 L333 F353 | V15-F323 HydrophobicContact CG1-CE1 4.49Å; V15-F323 HydrophobicContact CG2-CZ 4.49Å; C18-F323 HydrophobicContact CB-CD1 4Å; C18-F323 HydrophobicContact CB-CE1 4.07Å; L31-F323 HydrophobicContact CD1-CB 4.25Å; L31-F323 HydrophobicContact CD1-CD1 4Å; L31-F323 HydrophobicContact CD1-CG 4.21Å; L31-F323 HydrophobicContact CD2-CB 3.85Å; L31-F323 HydrophobicContact CD2-CD1 4.03Å; L31-F323 HydrophobicContact CD2-CD2 3.75Å; L31-F323 HydrophobicContact CD2-CE2 4.32Å; L31-F323 HydrophobicContact CD2-CG 3.58Å; I33-F323 HydrophobicContact CD1-CE1 3.79Å; I33-F323 HydrophobicContact CD1-CE2 3.91Å; I33-F323 HydrophobicContact CD1-CZ 3.42Å; I33-F323 VanDerWaalsContact CD1-CZ 3.42Å; I33-F323 HydrophobicContact CG1-CE1 3.98Å; I33-F323 HydrophobicContact CG1-CZ 4.13Å; L49-F323 HydrophobicContact CD1-CD2 4.46Å; T315-F323 PolarHBondContact N-O 2.79Å; T315-F323 PolarHBondContact O-N 2.85Å; L317-F323 HydrophobicContact CD1-CB 4.46Å; F323-L333 HydrophobicContact CB-CD1 4.44Å; F323-F353 HydrophobicContact CD2-CE2 4.25Å; F323-F353 AromaticContact CE2-CD2 3.87Å; F323-F353 HydrophobicContact CE2-CD2 3.87Å; F323-F353 AromaticContact CE2-CE2 3.85Å; F323-F353 HydrophobicContact CE2-CE2 3.85Å |
| 324 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 100.8 | 178.9 | -175.6 | 0 | 0 | 0 | 0 | 107.9 | T308 A311 L314 V322 S331 Q332 V334 | T308-V324 HydrophobicContact CG2-CG2 4.21Å; A311-V324 HydrophobicContact CB-CG1 3.78Å; L314-V324 HydrophobicContact CD2-CB 4.26Å; L314-V324 HydrophobicContact CD2-CG1 4.09Å; L314-V324 HydrophobicContact CD2-CG2 3.88Å; V322-V324 HydrophobicContact CG1-CG2 4.35Å; V324-S331 CarbonylContact O-C 3.58Å; V324-S331 VanDerWaalsContact O-CA 3.3Å; V324-S331 WeakPolarHBondContact O-CA 3.17Å; V324-S331 VanDerWaalsContact O-CB 3.25Å; V324-S331 WeakPolarHBondContact O-CB 3.33Å; V324-Q332 HydrophobicContact CB-CB 4.31Å; V324-Q332 PolarHBondContact N-O 2.71Å; V324-Q332 PolarHBondContact O-N 3.44Å; V324-V334 HydrophobicContact CG2-CG1 4.21Å; V324-V334 HydrophobicContact CG2-CG2 3.96Å |
| 325 | G | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 122.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110 | E312 C313 | E312-G325 PolarHBondContact N-O 2.82Å; C313-G325 PolarHBondContact N-O 2.88Å; C313-G325 PolarHBondContact O-N 3.42Å |
| 326 | S | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -115.2 | 141.4 | 177.5 | -172.7 | 0 | 0 | 0 | 0 | 111.9 | V15 I310 L328 G329 S331 N355 | V15-S326 PolarHBondContact N-O 2.84Å; I310-S326 VanDerWaalsContact O-CB 3.23Å; I310-S326 WeakPolarHBondContact O-CB 3.38Å; I310-S326 PolarHBondContact O-OG 2.85Å; S326-L328 PolarHBondContact OG-N 2.82Å; S326-G329 VanDerWaalsContact CB-O 3.28Å; S326-G329 WeakPolarHBondContact CB-O 3.4Å; S326-G329 PolarHBondContact OG-N 3.41Å; S326-G329 PolarHBondContact OG-O 2.85Å; S326-S331 PolarHBondContact N-OG 3.41Å; S326-N355 PolarHBondContact O-ND2 2.97Å | ||
| 327 | R | 96.9 | Very high | 96.6 | Very high | 66 Ų | 66 | 29.1 Ų | 29.1 | 25% | 0.249 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -94.9 | -24.1 | 170.6 | -176.5 | 178.7 | 170.3 | 76.4 | 12.7 | 112.4 | A14 E312 N355 N1034 | A14-R327 HydrophobicContact CB-CG 4.29Å; E312-R327 HydrophobicContact CB-CB 4.04Å; E312-R327 HydrophobicContact CG-CB 4.2Å; R327-N355 PolarHBondContact O-ND2 2.93Å; R327-N1034 PolarHBondContact NH1-OD1 2.72Å; R327-N1034 PolarHBondContact NH2-OD1 2.82Å |
| 328 | L | 96.8 | Very high | 96.4 | Very high | 32 Ų | 32 | 35 Ų | 35 | 17% | 0.168 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -107.8 | -11.8 | -170.4 | -59.4 | 179.9 | 0 | 0 | 0 | 114 | I310 S326 G380 A381 F382 E384 | I310-L328 HydrophobicContact CD1-CD1 4.3Å; I310-L328 HydrophobicContact CG2-CD1 4.19Å; S326-L328 PolarHBondContact OG-N 2.82Å; L328-G380 WeakPolarHBondContact O-CA 3.49Å; L328-A381 HydrophobicContact CD2-CB 4.23Å; L328-A381 PolarHBondContact O-N 3.35Å; L328-F382 HydrophobicContact CD1-CD2 4.06Å; L328-F382 HydrophobicContact CD1-CE2 4.08Å; L328-E384 WeakPolarHBondContact O-CB 3.31Å |
| 329 | G | 96 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -155.6 | -171.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111 | S326 N355 | S326-G329 VanDerWaalsContact CB-O 3.28Å; S326-G329 WeakPolarHBondContact CB-O 3.4Å; S326-G329 PolarHBondContact OG-N 3.41Å; S326-G329 PolarHBondContact OG-O 2.85Å; G329-N355 WeakPolarHBondContact O-CB 3.43Å; G329-N355 PolarHBondContact O-ND2 2.7Å |
| 330 | D | 97.8 | Very high | 96.5 | Very high | 25 Ų | 25 | 33.8 Ų | 33.8 | 13% | 0.134 | 18% | 0.183 | C | C | . | . | trans | -63.6 | 138.7 | 179.6 | -65 | -19.2 | 0 | 0 | 0 | 110.4 | S309 T352 F353 T354 N355 R388 | S309-D330 WeakPolarHBondContact CB-O 3.25Å; S309-D330 PolarHBondContact OG-O 3.41Å; D330-T352 HydrophobicContact CB-CG2 3.37Å; D330-F353 CarbonylContact C-O 3.58Å; D330-F353 WeakPolarHBondContact CA-O 3.38Å; D330-F353 WeakPolarHBondContact CB-O 3.47Å; D330-T354 WeakPolarHBondContact OD1-CA 3.23Å; D330-N355 PolarHBondContact OD1-N 2.7Å; D330-R388 IonicContact OD1-CZ 3.79Å; D330-R388 VanDerWaalsContact OD1-CZ 3.26Å; D330-R388 IonicContact OD1-NH1 3.86Å; D330-R388 PolarHBondContact OD1-NH1 3.11Å; D330-R388 IonicContact OD1-NH2 3.94Å; D330-R388 PolarHBondContact OD1-NH2 2.82Å; D330-R388 IonicContact OD2-CZ 3.97Å; D330-R388 IonicContact OD2-NH1 3.5Å; D330-R388 PolarHBondContact OD2-NH1 2.9Å; D330-R388 IonicContact OD2-NH2 2.83Å; D330-R388 PolarHBondContact OD2-NH2 2.74Å | ||
| 331 | S | 98.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 156.5 | 173 | -61.5 | 0 | 0 | 0 | 0 | 109.6 | V15 V324 S326 T352 F353 | V15-S331 WeakPolarHBondContact CG2-OG 3.2Å; V324-S331 CarbonylContact O-C 3.58Å; V324-S331 VanDerWaalsContact O-CA 3.3Å; V324-S331 WeakPolarHBondContact O-CA 3.17Å; V324-S331 VanDerWaalsContact O-CB 3.25Å; V324-S331 WeakPolarHBondContact O-CB 3.33Å; S326-S331 PolarHBondContact N-OG 3.41Å; S331-T352 CarbonylContact O-C 3.53Å; S331-T352 WeakPolarHBondContact O-CA 3.33Å; S331-F353 PolarHBondContact N-O 3.3Å; S331-F353 PolarHBondContact O-N 3.21Å |
| 332 | Q | 97.7 | Very high | 95.9 | Very high | 34 Ų | 34 | 45.1 Ų | 45.1 | 16% | 0.159 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 143.9 | -173.8 | -67.8 | 176.1 | -23.7 | 0 | 0 | 112.1 | S309 V324 V334 E351 | S309-Q332 WeakPolarHBondContact OG-CG 3.17Å; S309-Q332 PolarHBondContact OG-NE2 2.94Å; S309-Q332 PolarHBondContact OG-OE1 2.69Å; V324-Q332 HydrophobicContact CB-CB 4.31Å; V324-Q332 PolarHBondContact N-O 2.71Å; V324-Q332 PolarHBondContact O-N 3.44Å; Q332-V334 HydrophobicContact CB-CG1 3.78Å; Q332-E351 WeakPolarHBondContact CA-O 3.49Å |
| 333 | L | 97.3 | Very high | 95.4 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 122.4 | 156.9 | -167.5 | 68.6 | 0 | 0 | 0 | 107.1 | L49 L317 V321 F323 M350 E351 F353 | L49-L333 HydrophobicContact CD1-CD1 4.09Å; L49-L333 HydrophobicContact CD1-CD2 4.48Å; L49-L333 HydrophobicContact CG-CD1 4.41Å; L49-L333 HydrophobicContact CG-CD2 4.28Å; L317-L333 HydrophobicContact CD1-CD1 3.75Å; V321-L333 HydrophobicContact CG1-CD1 3.46Å; V321-L333 VanDerWaalsContact CG1-CD1 3.46Å; V321-L333 HydrophobicContact CG1-CD2 4.16Å; V321-L333 HydrophobicContact CG1-CG 3.7Å; F323-L333 HydrophobicContact CB-CD1 4.44Å; L333-M350 HydrophobicContact CB-CB 4.43Å; L333-M350 HydrophobicContact CD2-CB 4.41Å; L333-M350 HydrophobicContact CD2-SD 4.42Å; L333-M350 HydrophobicContact CG-CB 4.45Å; L333-M350 HydrophobicContact CG-SD 4.45Å; L333-M350 WeakPolarHBondContact O-CA 3.5Å; L333-M350 WeakPolarHBondContact O-CB 3.12Å; L333-M350 PolarHBondContact O-N 3.11Å; L333-E351 HydrophobicContact CB-CB 3.92Å; L333-E351 PolarHBondContact N-O 3.11Å; L333-E351 PolarHBondContact O-N 2.8Å; L333-F353 HydrophobicContact CB-CE2 4.12Å |
| 334 | V | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 147.9 | -177.2 | -53 | 0 | 0 | 0 | 0 | 111.2 | T308 V321 V322 V324 Q332 V347 V348 | T308-V334 HydrophobicContact CG2-CG1 4.12Å; T308-V334 HydrophobicContact CG2-CG2 4.46Å; V321-V334 CarbonylContact C-O 3.49Å; V321-V334 WeakPolarHBondContact CA-O 3.18Å; V322-V334 HydrophobicContact CB-CG2 3.81Å; V322-V334 HydrophobicContact CG1-CG2 4.48Å; V322-V334 PolarHBondContact N-O 3.06Å; V322-V334 PolarHBondContact O-N 3.38Å; V324-V334 HydrophobicContact CG2-CG1 4.21Å; V324-V334 HydrophobicContact CG2-CG2 3.96Å; Q332-V334 HydrophobicContact CB-CG1 3.78Å; V334-V347 HydrophobicContact CB-CG1 3.67Å; V334-V347 HydrophobicContact CG1-CG1 4.07Å; V334-V347 HydrophobicContact CG2-CG1 3.86Å; V334-V348 CarbonylContact C-O 3.54Å; V334-V348 WeakPolarHBondContact CA-O 3.37Å |
| 335 | K | 96.5 | Very high | 94.9 | Very high | 96 Ų | 96 | 56.5 Ų | 56.5 | 42% | 0.417 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 130.9 | 172.2 | -171.4 | 171.4 | 179.3 | 176 | 0 | 110.1 | V348 M350 | K335-V348 PolarHBondContact N-O 2.77Å; K335-V348 PolarHBondContact O-N 3.19Å; K335-M350 HydrophobicContact CB-CG 3.89Å; K335-M350 HydrophobicContact CB-SD 3.73Å |
| 336 | L | 96.5 | Very high | 94.8 | Very high | 27 Ų | 27 | 60.3 Ų | 60.3 | 14% | 0.141 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 114.4 | 170.6 | -54.4 | -177.1 | 0 | 0 | 0 | 108.9 | L272 L280 M282 L305 G320 V322 Y346 V347 | L272-L336 HydrophobicContact CD2-CD1 4Å; L280-L336 HydrophobicContact CD2-CD2 3.89Å; M282-L336 HydrophobicContact CE-CD1 4.19Å; L305-L336 HydrophobicContact CD1-CD1 4.19Å; L305-L336 HydrophobicContact CD1-CD2 4Å; G320-L336 WeakPolarHBondContact O-CB 3.18Å; G320-L336 WeakPolarHBondContact O-CG 3.21Å; G320-L336 PolarHBondContact O-N 2.86Å; V322-L336 HydrophobicContact CG2-CD1 3.76Å; V322-L336 HydrophobicContact CG2-CG 3.97Å; L336-Y346 CarbonylContact C-O 3.25Å; L336-Y346 WeakPolarHBondContact CA-O 3.33Å; L336-V347 HydrophobicContact CD2-CG2 3.91Å |
| 337 | N | 95 | Very high | 94.8 | Very high | 63 Ų | 63 | 60.9 Ų | 60.9 | 34% | 0.337 | 32% | 0.318 | S | S | . | . | trans | -88.7 | 154.9 | 174.2 | -68.4 | -32.3 | 0 | 0 | 0 | 110.8 | D339 Y346 V348 | N337-D339 WeakPolarHBondContact CB-O 3.28Å; N337-Y346 PolarHBondContact N-O 2.97Å; N337-V348 VanDerWaalsContact ND2-CG2 3.28Å; N337-V348 WeakPolarHBondContact ND2-CG2 3.42Å | ||
| 338 | V | 91.9 | Very high | 94.7 | Very high | 134 Ų | 134 | 60.8 Ų | 60.8 | 81% | 0.812 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -73.1 | -41.9 | 176.3 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | Y346 | V338-Y346 WeakPolarHBondContact O-CD1 3.48Å; V338-Y346 VanDerWaalsContact O-CE1 3.32Å; V338-Y346 WeakPolarHBondContact O-CE1 3.34Å |
| 339 | D | 93.3 | Very high | 94.6 | Very high | 131 Ų | 131 | 62 Ų | 62 | 70% | 0.701 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -98.2 | 145.8 | 177.3 | -58.6 | -55.8 | 0 | 0 | 0 | 110.1 | N337 | N337-D339 WeakPolarHBondContact CB-O 3.28Š|
| 340 | S | 92.6 | Very high | 94.4 | Very high | 54 Ų | 54 | 66.9 Ų | 66.9 | 38% | 0.378 | 36% | 0.363 | S | S | . | . | trans | -75.7 | 150.1 | 172.9 | 43.8 | 0 | 0 | 0 | 0 | 111.1 | S345 Y346 | S340-S345 CarbonylContact C-O 3.54Å; S340-S345 WeakPolarHBondContact CA-O 3.35Å; S340-Y346 VanDerWaalsContact N-CE1 3.34Å | ||
| 341 | N | 91.8 | Very high | 94.2 | Very high | 65 Ų | 65 | 69.2 Ų | 69.2 | 35% | 0.348 | 37% | 0.374 | S | S | . | . | trans | -74.2 | -178.9 | 170.3 | 70.4 | 12.2 | 0 | 0 | 0 | 111.4 | Q343 G344 S345 | N341-Q343 PolarHBondContact O-N 2.78Å; N341-Q343 WeakPolarHBondContact OD1-CA 3.44Å; N341-Q343 WeakPolarHBondContact OD1-CB 3.44Å; N341-Q343 PolarHBondContact OD1-N 2.76Å; N341-G344 PolarHBondContact O-N 2.79Å; N341-G344 PolarHBondContact OD1-N 3.28Å; N341-S345 VanDerWaalsContact CG-O 3.23Å; N341-S345 PolarHBondContact N-O 2.84Å; N341-S345 PolarHBondContact OD1-N 2.8Å; N341-S345 PolarHBondContact OD1-O 3.48Å | ||
| 342 | E | 88 | Confident | 93.9 | Very high | 211 Ų | 211 | 72.4 Ų | 72.4 | 99% | 0.986 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -21.7 | -179.5 | -61.2 | -176.5 | 172.3 | 0 | 0 | 114.2 | ||
| 343 | Q | 88.1 | Confident | 93.7 | Very high | 177 Ų | 177 | 72.6 Ų | 72.6 | 83% | 0.827 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 2.1 | 178.3 | -61.4 | 176.9 | -6.8 | 0 | 0 | 112.9 | N341 S345 | N341-Q343 PolarHBondContact O-N 2.78Å; N341-Q343 WeakPolarHBondContact OD1-CA 3.44Å; N341-Q343 WeakPolarHBondContact OD1-CB 3.44Å; N341-Q343 PolarHBondContact OD1-N 2.76Å; Q343-S345 VanDerWaalsContact C-N 3.32Å |
| 344 | G | 90.9 | Very high | 93.5 | Very high | 44 Ų | 44 | 75.1 Ų | 75.1 | 45% | 0.454 | 41% | 0.409 | S | S | . | . | S | Bend | trans | 80.4 | 8.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N341 | N341-G344 PolarHBondContact O-N 2.79Å; N341-G344 PolarHBondContact OD1-N 3.28Å |
| 345 | S | 94.6 | Very high | 93.5 | Very high | 19 Ų | 19 | 75.2 Ų | 75.2 | 13% | 0.133 | 41% | 0.409 | C | S | . | . | trans | -89.7 | 134.4 | 177.3 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | L305 S340 N341 Q343 V347 | L305-S345 CarbonylContact O-C 3.44Å; S340-S345 CarbonylContact C-O 3.54Å; S340-S345 WeakPolarHBondContact CA-O 3.35Å; N341-S345 VanDerWaalsContact CG-O 3.23Å; N341-S345 PolarHBondContact N-O 2.84Å; N341-S345 PolarHBondContact OD1-N 2.8Å; N341-S345 PolarHBondContact OD1-O 3.48Å; Q343-S345 VanDerWaalsContact C-N 3.32Å; S345-V347 PolarHBondContact OG-N 3.31Å; S345-V347 VanDerWaalsContact OG-N 3.11Å; S345-V347 PolarHBondContact OG-O 2.9Å | ||
| 346 | Y | 96.8 | Very high | 93.5 | Very high | 79 Ų | 79 | 70.6 Ų | 70.6 | 31% | 0.31 | 39% | 0.39 | S | S | . | . | trans | -91.4 | -1.5 | 171.3 | -61 | -91.8 | 0 | 0 | 0 | 112.1 | L305 L336 N337 V338 S340 | L305-Y346 WeakPolarHBondContact O-CD2 3.31Å; L305-Y346 PolarHBondContact O-N 3.48Å; L336-Y346 CarbonylContact C-O 3.25Å; L336-Y346 WeakPolarHBondContact CA-O 3.33Å; N337-Y346 PolarHBondContact N-O 2.97Å; V338-Y346 WeakPolarHBondContact O-CD1 3.48Å; V338-Y346 VanDerWaalsContact O-CE1 3.32Å; V338-Y346 WeakPolarHBondContact O-CE1 3.34Å; S340-Y346 VanDerWaalsContact N-CE1 3.34Å | ||
| 347 | V | 96.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 69.3 Ų | 69.3 | 7% | 0.073 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 130.9 | -174.1 | -171.2 | 0 | 0 | 0 | 0 | 110.3 | L280 L305 T308 V334 L336 S345 | L280-V347 HydrophobicContact CD2-CG2 4.05Å; L305-V347 HydrophobicContact CB-CG2 3.85Å; T308-V347 HydrophobicContact CG2-CG1 3.79Å; V334-V347 HydrophobicContact CB-CG1 3.67Å; V334-V347 HydrophobicContact CG1-CG1 4.07Å; V334-V347 HydrophobicContact CG2-CG1 3.86Å; L336-V347 HydrophobicContact CD2-CG2 3.91Å; S345-V347 PolarHBondContact OG-N 3.31Å; S345-V347 VanDerWaalsContact OG-N 3.11Å; S345-V347 PolarHBondContact OG-O 2.9Å |
| 348 | V | 95.7 | Very high | 93.6 | Very high | 65 Ų | 65 | 67.3 Ų | 67.3 | 39% | 0.394 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 122.5 | 173.6 | 176.9 | 0 | 0 | 0 | 0 | 109.1 | V334 K335 N337 M350 | V334-V348 CarbonylContact C-O 3.54Å; V334-V348 WeakPolarHBondContact CA-O 3.37Å; K335-V348 PolarHBondContact N-O 2.77Å; K335-V348 PolarHBondContact O-N 3.19Å; N337-V348 VanDerWaalsContact ND2-CG2 3.28Å; N337-V348 WeakPolarHBondContact ND2-CG2 3.42Å; V348-M350 PolarHBondContact O-N 2.83Å |
| 349 | A | 94.2 | Very high | 93.9 | Very high | 57 Ų | 57 | 61 Ų | 61 | 47% | 0.471 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 125.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 350 | M | 92.5 | Very high | 94.2 | Very high | 102 Ų | 102 | 55.9 Ų | 55.9 | 50% | 0.502 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -43.9 | 175.9 | -62 | 179.4 | 64.7 | 0 | 0 | 111 | V321 L333 K335 V348 | V321-M350 HydrophobicContact CG1-SD 4.09Å; V321-M350 HydrophobicContact CG2-SD 4.02Å; L333-M350 HydrophobicContact CB-CB 4.43Å; L333-M350 HydrophobicContact CD2-CB 4.41Å; L333-M350 HydrophobicContact CD2-SD 4.42Å; L333-M350 HydrophobicContact CG-CB 4.45Å; L333-M350 HydrophobicContact CG-SD 4.45Å; L333-M350 WeakPolarHBondContact O-CA 3.5Å; L333-M350 WeakPolarHBondContact O-CB 3.12Å; L333-M350 PolarHBondContact O-N 3.11Å; K335-M350 HydrophobicContact CB-CG 3.89Å; K335-M350 HydrophobicContact CB-SD 3.73Å; V348-M350 PolarHBondContact O-N 2.83Å |
| 351 | E | 91.8 | Very high | 94.4 | Very high | 75 Ų | 75 | 54.4 Ų | 54.4 | 35% | 0.35 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 149.7 | -175.6 | -165.3 | 178.5 | 169.5 | 0 | 0 | 109.3 | Q332 L333 F353 | Q332-E351 WeakPolarHBondContact CA-O 3.49Å; L333-E351 HydrophobicContact CB-CB 3.92Å; L333-E351 PolarHBondContact N-O 3.11Å; L333-E351 PolarHBondContact O-N 2.8Å; E351-F353 HydrophobicContact CB-CE2 4.38Å; E351-F353 HydrophobicContact CB-CZ 4.28Å; E351-F353 VanDerWaalsContact CD-CZ 3.45Å; E351-F353 HydrophobicContact CG-CE1 4.28Å; E351-F353 HydrophobicContact CG-CE2 4.33Å; E351-F353 HydrophobicContact CG-CZ 3.9Å; E351-F353 WeakPolarHBondContact OE1-CE1 3.46Å |
| 352 | T | 92.8 | Very high | 94.7 | Very high | 70 Ų | 70 | 51.6 Ų | 51.6 | 43% | 0.429 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 133.6 | 179.4 | -61.9 | 0 | 0 | 0 | 0 | 109.5 | D330 S331 | D330-T352 HydrophobicContact CB-CG2 3.37Å; S331-T352 CarbonylContact O-C 3.53Å; S331-T352 WeakPolarHBondContact O-CA 3.33Å |
| 353 | F | 93.4 | Very high | 95.1 | Very high | 37 Ų | 37 | 42.3 Ų | 42.3 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 114.8 | -177.8 | -54.3 | -87.1 | 0 | 0 | 0 | 109.5 | L49 F323 D330 S331 L333 E351 N355 | L49-F353 HydrophobicContact CD1-CE2 4.47Å; L49-F353 HydrophobicContact CD1-CZ 3.9Å; F323-F353 HydrophobicContact CD2-CE2 4.25Å; F323-F353 AromaticContact CE2-CD2 3.87Å; F323-F353 HydrophobicContact CE2-CD2 3.87Å; F323-F353 AromaticContact CE2-CE2 3.85Å; F323-F353 HydrophobicContact CE2-CE2 3.85Å; D330-F353 CarbonylContact C-O 3.58Å; D330-F353 WeakPolarHBondContact CA-O 3.38Å; D330-F353 WeakPolarHBondContact CB-O 3.47Å; S331-F353 PolarHBondContact N-O 3.3Å; S331-F353 PolarHBondContact O-N 3.21Å; L333-F353 HydrophobicContact CB-CE2 4.12Å; E351-F353 HydrophobicContact CB-CE2 4.38Å; E351-F353 HydrophobicContact CB-CZ 4.28Å; E351-F353 VanDerWaalsContact CD-CZ 3.45Å; E351-F353 HydrophobicContact CG-CE1 4.28Å; E351-F353 HydrophobicContact CG-CE2 4.33Å; E351-F353 HydrophobicContact CG-CZ 3.9Å; E351-F353 WeakPolarHBondContact OE1-CE1 3.46Å; F353-N355 PolarHBondContact O-N 3.05Å |
| 354 | T | 92.9 | Very high | 95.4 | Very high | 60 Ų | 60 | 35.8 Ų | 35.8 | 37% | 0.368 | 21% | 0.212 | S | C | . | . | trans | -54.6 | 127 | -176.1 | -55.9 | 0 | 0 | 0 | 0 | 112.7 | D330 L356 I712 | D330-T354 WeakPolarHBondContact OD1-CA 3.23Å; T354-L356 HydrophobicContact CG2-CD2 4.38Å; T354-I712 HydrophobicContact CG2-CB 4.36Å; T354-I712 HydrophobicContact CG2-CD1 3.97Å; T354-I712 HydrophobicContact CG2-CG2 3.93Å | ||
| 355 | N | 96.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | trans | -124.8 | 123.1 | 171.5 | -179.9 | 17.9 | 0 | 0 | 0 | 110.6 | T13 A14 S326 R327 G329 D330 F353 G357 R388 | T13-N355 PolarHBondContact OG1-OD1 2.97Å; A14-N355 WeakPolarHBondContact CA-OD1 3.17Å; A14-N355 PolarHBondContact N-OD1 2.77Å; A14-N355 VanDerWaalsContact N-OD1 3.11Å; S326-N355 PolarHBondContact O-ND2 2.97Å; R327-N355 PolarHBondContact O-ND2 2.93Å; G329-N355 WeakPolarHBondContact O-CB 3.43Å; G329-N355 PolarHBondContact O-ND2 2.7Å; D330-N355 PolarHBondContact OD1-N 2.7Å; F353-N355 PolarHBondContact O-N 3.05Å; N355-G357 WeakPolarHBondContact OD1-CA 3.28Å; N355-G357 PolarHBondContact OD1-N 2.85Å; N355-R388 PolarHBondContact O-NH2 2.89Å | ||
| 356 | L | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -87.7 | -13 | 176.9 | -58.9 | -179.9 | 0 | 0 | 0 | 112.5 | Q10 T13 T354 P358 I359 S379 R388 I390 I712 I1037 | Q10-L356 HydrophobicContact CG-CD1 3.8Å; T13-L356 PolarHBondContact OG1-N 3.47Å; T354-L356 HydrophobicContact CG2-CD2 4.38Å; L356-P358 CarbonylContact O-C 3.2Å; L356-I359 HydrophobicContact CB-CD1 4.16Å; L356-I359 HydrophobicContact CB-CG1 4.16Å; L356-I359 VanDerWaalsContact O-CG1 3.23Å; L356-I359 WeakPolarHBondContact O-CG1 3.45Å; L356-I359 PolarHBondContact O-N 3.08Å; L356-S379 WeakPolarHBondContact O-CB 3.33Å; L356-S379 PolarHBondContact O-OG 3.46Å; L356-R388 HydrophobicContact CD2-CB 3.71Å; L356-R388 HydrophobicContact CD2-CG 3.6Å; L356-I390 HydrophobicContact CD1-CD1 3.72Å; L356-I390 HydrophobicContact CD2-CD1 3.99Å; L356-I712 HydrophobicContact CD1-CD1 4.26Å; L356-I712 HydrophobicContact CD2-CD1 4.15Å; L356-I712 HydrophobicContact CD2-CG2 3.86Å; L356-I712 HydrophobicContact CG-CD1 4.42Å; L356-I1037 HydrophobicContact CD1-CD1 3.78Å; L356-I1037 HydrophobicContact CD1-CG1 4.46Å | ||
| 357 | G | 96 | Very high | 94 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -84 | 148.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N355 | N355-G357 WeakPolarHBondContact OD1-CA 3.28Å; N355-G357 PolarHBondContact OD1-N 2.85Å | ||
| 358 | P | 98.3 | Very high | 92.8 | Very high | 21 Ų | 21 | 37.4 Ų | 37.4 | 14% | 0.136 | 21% | 0.21 | C | C | . | . | S | Bend | cis | -70.3 | 135.3 | -16.5 | 29.1 | -35.7 | 0 | 0 | 0 | 111.6 | L356 V360 S379 G380 V1033 | L356-P358 CarbonylContact O-C 3.2Å; P358-V360 HydrophobicContact CB-CG1 4.18Å; P358-V360 HydrophobicContact CG-CG1 4.24Å; P358-V360 PolarHBondContact O-N 3.14Å; P358-S379 VanDerWaalsContact O-CA 3.28Å; P358-S379 WeakPolarHBondContact O-CA 3.46Å; P358-G380 PolarHBondContact O-N 2.96Å; P358-G380 VanDerWaalsContact O-N 3.11Å; P358-V1033 VanDerWaalsContact CA-O 3.31Å; P358-V1033 WeakPolarHBondContact CA-O 3.25Å; P358-V1033 HydrophobicContact CB-CB 4.4Å |
| 359 | I | 98.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 110.2 | 164.1 | -62 | 169.9 | 0 | 0 | 0 | 106.4 | L356 M362 T377 C378 N1005 V1006 T1032 I1037 | L356-I359 HydrophobicContact CB-CD1 4.16Å; L356-I359 HydrophobicContact CB-CG1 4.16Å; L356-I359 VanDerWaalsContact O-CG1 3.23Å; L356-I359 WeakPolarHBondContact O-CG1 3.45Å; L356-I359 PolarHBondContact O-N 3.08Å; I359-M362 HydrophobicContact CG2-SD 4.46Å; I359-T377 HydrophobicContact CD1-CG2 4.43Å; I359-T377 HydrophobicContact CG2-CG2 4.15Å; I359-C378 WeakPolarHBondContact CA-O 3.48Å; I359-N1005 VanDerWaalsContact O-CG 3.27Å; I359-N1005 PolarHBondContact O-ND2 2.87Å; I359-N1005 PolarHBondContact O-OD1 3.08Å; I359-V1006 HydrophobicContact CG2-CG1 3.97Å; I359-T1032 PolarHBondContact N-O 2.93Å; I359-I1037 HydrophobicContact CD1-CD1 4.39Å; I359-I1037 HydrophobicContact CD1-CG1 3.74Å |
| 360 | V | 97.9 | Very high | 90.2 | Very high | 25 Ų | 25 | 44.2 Ų | 44.2 | 15% | 0.152 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -25.8 | -176.5 | -67.3 | 0 | 0 | 0 | 0 | 113.6 | P358 C378 P721 | P358-V360 HydrophobicContact CB-CG1 4.18Å; P358-V360 HydrophobicContact CG-CG1 4.24Å; P358-V360 PolarHBondContact O-N 3.14Å; V360-C378 HydrophobicContact CG2-CB 3.57Å; V360-C378 WeakPolarHBondContact CG2-O 3.26Å; V360-C378 PolarHBondContact N-O 2.85Å; V360-P721 VanDerWaalsContact CG2-O 3.3Å; V360-P721 WeakPolarHBondContact CG2-O 3.41Å |
| 361 | D | 98.3 | Very high | 88.9 | Confident | 22 Ų | 22 | 41.6 Ų | 41.6 | 12% | 0.118 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 161.8 | 172.8 | -158.9 | 19 | 0 | 0 | 0 | 109.8 | C378 K723 I724 | D361-C378 HydrophobicContact CB-CB 4.26Å; D361-C378 PolarHBondContact O-N 2.88Å; D361-K723 HydrophobicContact CB-CD 4.2Å; D361-K723 WeakPolarHBondContact OD2-CA 3.21Å; D361-K723 WeakPolarHBondContact OD2-CD 3.39Å; D361-I724 HydrophobicContact CB-CG2 4.31Å; D361-I724 PolarHBondContact OD2-N 3.36Å |
| 362 | M | 97.8 | Very high | 87.9 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 3% | 0.034 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 154.5 | 179.3 | 65.5 | -171.3 | -173.5 | 0 | 0 | 112.6 | I359 L375 V376 T377 V1006 C1008 L1029 | I359-M362 HydrophobicContact CG2-SD 4.46Å; M362-L375 HydrophobicContact CB-CD1 3.94Å; M362-L375 HydrophobicContact CG-CD1 4.05Å; M362-L375 HydrophobicContact SD-CD1 3.93Å; M362-L375 HydrophobicContact SD-CD2 4.3Å; M362-V376 VanDerWaalsContact CA-O 3.28Å; M362-V376 WeakPolarHBondContact CA-O 3.36Å; M362-T377 HydrophobicContact CB-CG2 3.98Å; M362-V1006 HydrophobicContact CE-CG1 4.06Å; M362-V1006 HydrophobicContact CE-CG2 4.36Å; M362-V1006 HydrophobicContact CG-CG1 3.96Å; M362-V1006 HydrophobicContact CG-CG2 3.87Å; M362-V1006 HydrophobicContact SD-CG1 3.9Å; M362-C1008 HydrophobicContact CE-CB 3.66Å; M362-C1008 HydrophobicContact CG-CB 4.09Å; M362-L1029 HydrophobicContact CE-CB 4.05Å; M362-L1029 VanDerWaalsContact CE-O 3.26Å; M362-L1029 WeakPolarHBondContact CE-O 3.35Å |
| 363 | C | 96 | Very high | 87.2 | Confident | 15 Ų | 15 | 37.3 Ų | 37.3 | 10% | 0.101 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 149.7 | 170.7 | 67.1 | 0 | 0 | 0 | 0 | 111.1 | V376 I724 | C363-V376 PolarHBondContact N-O 3.11Å; C363-V376 PolarHBondContact O-N 3.21Å; C363-I724 HydrophobicContact CB-CG2 4.38Å |
| 364 | V | 93.7 | Very high | 87 | Confident | 41 Ų | 41 | 36.7 Ų | 36.7 | 25% | 0.248 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.2 | 174.7 | -179.9 | 0 | 0 | 0 | 0 | 109 | Q374 L375 L1029 | V364-Q374 WeakPolarHBondContact CA-O 3.3Å; V364-L375 HydrophobicContact CG2-CD1 3.7Å; V364-L1029 HydrophobicContact CG2-CD1 3.81Å |
| 365 | V | 91.6 | Very high | 87 | Confident | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.036 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 143.9 | -177.7 | -66.1 | 0 | 0 | 0 | 0 | 111.2 | L367 Q374 V376 Y726 F733 | V365-L367 HydrophobicContact CB-CD2 4.24Å; V365-L367 HydrophobicContact CB-CG 4.34Å; V365-L367 HydrophobicContact CG2-CD1 4.3Å; V365-L367 HydrophobicContact CG2-CD2 4.08Å; V365-L367 HydrophobicContact CG2-CG 3.82Å; V365-Q374 HydrophobicContact CG2-CB 4.22Å; V365-Q374 PolarHBondContact N-O 3.41Å; V365-Q374 PolarHBondContact O-N 3.48Å; V365-V376 HydrophobicContact CG2-CG2 3.9Å; V365-Y726 HydrophobicContact CB-CD1 4.44Å; V365-Y726 HydrophobicContact CG1-CD1 3.63Å; V365-Y726 HydrophobicContact CG1-CD2 4.3Å; V365-Y726 HydrophobicContact CG1-CE1 4.35Å; V365-Y726 HydrophobicContact CG1-CG 3.59Å; V365-F733 HydrophobicContact CG1-CE1 3.85Å; V365-F733 HydrophobicContact CG1-CZ 4.29Å; V365-F733 HydrophobicContact CG2-CE1 4.33Å; V365-F733 HydrophobicContact CG2-CZ 4.08Å |
| 366 | D | 84.2 | Confident | 87.1 | Confident | 59 Ų | 59 | 33.8 Ų | 33.8 | 32% | 0.316 | 18% | 0.177 | S | C | . | . | trans | -109.4 | 78.2 | 170.8 | -177.4 | 7.3 | 0 | 0 | 0 | 108.9 | E368 R369 Q370 G371 | D366-E368 VanDerWaalsContact C-N 3.26Å; D366-E368 PolarHBondContact O-N 3.38Å; D366-R369 PolarHBondContact O-N 2.92Å; D366-R369 VanDerWaalsContact OD1-CA 3.29Å; D366-R369 WeakPolarHBondContact OD1-CA 3.49Å; D366-R369 PolarHBondContact OD1-N 2.82Å; D366-R369 WeakPolarHBondContact OD2-CA 3.35Å; D366-Q370 PolarHBondContact OD1-N 3.47Å; D366-Q370 VanDerWaalsContact OD1-N 3.07Å; D366-Q370 PolarHBondContact OD2-N 3.5Å; D366-G371 WeakPolarHBondContact OD2-CA 3.48Å; D366-G371 PolarHBondContact OD2-N 3.02Å | ||
| 367 | L | 77.6 | Confident | 87.1 | Confident | 24 Ų | 24 | 33.8 Ų | 33.8 | 13% | 0.126 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -31.5 | -176.1 | -63.2 | 178.4 | 0 | 0 | 0 | 112.5 | V365 Y726 F733 Q796 | V365-L367 HydrophobicContact CB-CD2 4.24Å; V365-L367 HydrophobicContact CB-CG 4.34Å; V365-L367 HydrophobicContact CG2-CD1 4.3Å; V365-L367 HydrophobicContact CG2-CD2 4.08Å; V365-L367 HydrophobicContact CG2-CG 3.82Å; L367-Y726 HydrophobicContact CD2-CE2 4.19Å; L367-F733 HydrophobicContact CD2-CZ 4.29Å; L367-Q796 HydrophobicContact CD2-CB 3.94Å; L367-Q796 HydrophobicContact CD2-CG 4.39Å |
| 368 | E | 71.6 | Confident | 87.2 | Confident | 98 Ų | 98 | 33.8 Ų | 33.8 | 46% | 0.458 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -7 | -177.5 | -62.4 | -171.2 | -165.4 | 0 | 0 | 113.5 | D366 Q370 | D366-E368 VanDerWaalsContact C-N 3.26Å; D366-E368 PolarHBondContact O-N 3.38Å; E368-Q370 HydrophobicContact CB-CG 4.01Å; E368-Q370 PolarHBondContact O-N 3.13Å; E368-Q370 PolarHBondContact OE2-NE2 2.88Å |
| 369 | R | 71.5 | Confident | 87.2 | Confident | 175 Ų | 175 | 32.8 Ų | 32.8 | 66% | 0.66 | 17% | 0.17 | S | C | * | . | S | Bend | trans | 57.5 | 35.2 | -177.6 | -57.2 | -178.9 | 168.4 | -171.7 | -7.1 | 113 | D366 E728 | D366-R369 PolarHBondContact O-N 2.92Å; D366-R369 VanDerWaalsContact OD1-CA 3.29Å; D366-R369 WeakPolarHBondContact OD1-CA 3.49Å; D366-R369 PolarHBondContact OD1-N 2.82Å; D366-R369 WeakPolarHBondContact OD2-CA 3.35Å; R369-E728 IonicContact CZ-OE1 3.12Å; R369-E728 IonicContact NH2-OE1 3.03Å; R369-E728 PolarHBondContact NH2-OE1 3.46Å |
| 370 | Q | 64.7 | Low | 87.2 | Confident | 90 Ų | 90 | 32.9 Ų | 32.9 | 42% | 0.421 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -98.6 | 1 | -178.6 | -68.8 | -179.6 | 22 | 0 | 0 | 112.8 | D366 E368 Q372 | D366-Q370 PolarHBondContact OD1-N 3.47Å; D366-Q370 VanDerWaalsContact OD1-N 3.07Å; D366-Q370 PolarHBondContact OD2-N 3.5Å; E368-Q370 HydrophobicContact CB-CG 4.01Å; E368-Q370 PolarHBondContact O-N 3.13Å; E368-Q370 PolarHBondContact OE2-NE2 2.88Å; Q370-Q372 VanDerWaalsContact C-N 3.25Å |
| 371 | G | 65.7 | Low | 87.1 | Confident | 47 Ų | 47 | 32.5 Ų | 32.5 | 49% | 0.485 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 75.5 | 16.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113 | D366 | D366-G371 WeakPolarHBondContact OD2-CA 3.48Å; D366-G371 PolarHBondContact OD2-N 3.02Å |
| 372 | Q | 69.3 | Low | 87 | Confident | 46 Ų | 46 | 36.3 Ų | 36.3 | 22% | 0.215 | 19% | 0.187 | C | C | . | . | trans | -110 | 112.3 | 173.3 | -171.6 | 179.8 | 16.9 | 0 | 0 | 109.1 | Q370 N392 | Q370-Q372 VanDerWaalsContact C-N 3.25Å; Q372-N392 PolarHBondContact NE2-O 3.31Å | ||
| 373 | G | 79.2 | Confident | 86.9 | Confident | 10 Ų | 10 | 37 Ų | 37 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 131 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1011 | G373-S1011 WeakPolarHBondContact CA-O 3.32Š|
| 374 | Q | 89.1 | Confident | 86.9 | Confident | 23 Ų | 23 | 37.9 Ų | 37.9 | 11% | 0.107 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 131.6 | 163.6 | -56.7 | -178 | 24 | 0 | 0 | 107.9 | V364 V365 I390 | V364-Q374 WeakPolarHBondContact CA-O 3.3Å; V365-Q374 HydrophobicContact CG2-CB 4.22Å; V365-Q374 PolarHBondContact N-O 3.41Å; V365-Q374 PolarHBondContact O-N 3.48Å; Q374-I390 WeakPolarHBondContact CA-O 3.16Å |
| 375 | L | 93.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 123.6 | 174.2 | -179.1 | 71.9 | 0 | 0 | 0 | 108.6 | M362 V364 T377 I390 L1012 L1029 I1037 | M362-L375 HydrophobicContact CB-CD1 3.94Å; M362-L375 HydrophobicContact CG-CD1 4.05Å; M362-L375 HydrophobicContact SD-CD1 3.93Å; M362-L375 HydrophobicContact SD-CD2 4.3Å; V364-L375 HydrophobicContact CG2-CD1 3.7Å; L375-T377 HydrophobicContact CD2-CG2 3.92Å; L375-T377 HydrophobicContact CG-CG2 3.89Å; L375-I390 HydrophobicContact CB-CB 4.28Å; L375-I390 HydrophobicContact CD2-CD1 4.36Å; L375-I390 PolarHBondContact N-O 3.09Å; L375-I390 PolarHBondContact O-N 3.34Å; L375-L1012 HydrophobicContact CB-CD2 3.63Å; L375-L1029 HydrophobicContact CD1-CD1 4.31Å; L375-I1037 HydrophobicContact CD2-CD1 3.69Å; L375-I1037 HydrophobicContact CD2-CG1 4.2Å; L375-I1037 HydrophobicContact CD2-CG2 4.11Å |
| 376 | V | 96.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 116.7 | 173.2 | -173.2 | 0 | 0 | 0 | 0 | 108.2 | M362 C363 V365 L387 R388 I389 I724 F733 | M362-V376 VanDerWaalsContact CA-O 3.28Å; M362-V376 WeakPolarHBondContact CA-O 3.36Å; C363-V376 PolarHBondContact N-O 3.11Å; C363-V376 PolarHBondContact O-N 3.21Å; V365-V376 HydrophobicContact CG2-CG2 3.9Å; V376-L387 HydrophobicContact CG1-CB 4.43Å; V376-R388 CarbonylContact C-O 3.46Å; V376-R388 WeakPolarHBondContact CA-O 3.37Å; V376-I389 HydrophobicContact CG2-CG1 4.48Å; V376-I724 HydrophobicContact CB-CD1 4.27Å; V376-I724 HydrophobicContact CG1-CD1 3.63Å; V376-F733 HydrophobicContact CB-CE1 4.43Å; V376-F733 HydrophobicContact CG2-CE1 4.09Å; V376-F733 HydrophobicContact CG2-CZ 3.93Å |
| 377 | T | 98.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 140.5 | -178.6 | 68 | 0 | 0 | 0 | 0 | 111.4 | I359 M362 L375 S379 L387 R388 I390 | I359-T377 HydrophobicContact CD1-CG2 4.43Å; I359-T377 HydrophobicContact CG2-CG2 4.15Å; M362-T377 HydrophobicContact CB-CG2 3.98Å; L375-T377 HydrophobicContact CD2-CG2 3.92Å; L375-T377 HydrophobicContact CG-CG2 3.89Å; T377-S379 PolarHBondContact OG1-OG 3.46Å; T377-L387 VanDerWaalsContact O-CA 3.27Å; T377-L387 WeakPolarHBondContact O-CA 3.33Å; T377-R388 PolarHBondContact N-O 2.81Å; T377-R388 PolarHBondContact O-N 2.78Å; T377-R388 WeakPolarHBondContact OG1-CB 3.4Å; T377-I390 HydrophobicContact CG2-CD1 3.97Å |
| 378 | C | 98.6 | Very high | 89 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 110.7 | 158.8 | -70.2 | 0 | 0 | 0 | 0 | 107.7 | I359 V360 D361 P721 | I359-C378 WeakPolarHBondContact CA-O 3.48Å; V360-C378 HydrophobicContact CG2-CB 3.57Å; V360-C378 WeakPolarHBondContact CG2-O 3.26Å; V360-C378 PolarHBondContact N-O 2.85Å; D361-C378 HydrophobicContact CB-CB 4.26Å; D361-C378 PolarHBondContact O-N 2.88Å; C378-P721 HydrophobicContact CB-CB 3.7Å; C378-P721 HydrophobicContact CB-CG 3.89Å |
| 379 | S | 98.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 151 | -172.7 | -73 | 0 | 0 | 0 | 0 | 111.7 | L356 P358 T377 G385 S386 P721 | L356-S379 WeakPolarHBondContact O-CB 3.33Å; L356-S379 PolarHBondContact O-OG 3.46Å; P358-S379 VanDerWaalsContact O-CA 3.28Å; P358-S379 WeakPolarHBondContact O-CA 3.46Å; T377-S379 PolarHBondContact OG1-OG 3.46Å; S379-G385 WeakPolarHBondContact O-CA 3.47Å; S379-S386 PolarHBondContact N-O 3.12Å; S379-S386 PolarHBondContact O-N 2.93Å; S379-P721 WeakPolarHBondContact O-CG 3.41Å |
| 380 | G | 97.9 | Very high | 91 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 3% | 0.031 | 11% | 0.108 | C | C | . | . | trans | 77.7 | 179.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L328 P358 | L328-G380 WeakPolarHBondContact O-CA 3.49Å; P358-G380 PolarHBondContact O-N 2.96Å; P358-G380 VanDerWaalsContact O-N 3.11Å | ||
| 381 | A | 96.5 | Very high | 91.9 | Very high | 16 Ų | 16 | 17.8 Ų | 17.8 | 13% | 0.132 | 10% | 0.098 | C | C | . | . | trans | -146.3 | 158.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L328 K383 E384 G385 | L328-A381 HydrophobicContact CD2-CB 4.23Å; L328-A381 PolarHBondContact O-N 3.35Å; A381-K383 PolarHBondContact O-N 2.84Å; A381-E384 WeakPolarHBondContact O-CB 3.18Å; A381-E384 PolarHBondContact O-N 2.86Å; A381-G385 PolarHBondContact O-N 3.01Å | ||
| 382 | F | 95.6 | Very high | 92.4 | Very high | 102 Ų | 102 | 17.5 Ų | 17.5 | 45% | 0.447 | 9% | 0.086 | S | C | . | . | G | 310 helix | trans | 53.4 | -129.7 | -178.9 | -47.8 | -73.1 | 0 | 0 | 0 | 110.8 | I310 L328 E384 G385 Y718 E719 S720 I740 | I310-F382 HydrophobicContact CD1-CB 4.06Å; I310-F382 HydrophobicContact CD1-CD2 4.09Å; L328-F382 HydrophobicContact CD1-CD2 4.06Å; L328-F382 HydrophobicContact CD1-CE2 4.08Å; F382-E384 PolarHBondContact O-N 2.82Å; F382-G385 PolarHBondContact O-N 2.82Å; F382-Y718 CarbonylContact O-C 3.5Å; F382-E719 CarbonylContact O-C 3.59Å; F382-E719 VanDerWaalsContact O-C 3.29Å; F382-E719 WeakPolarHBondContact O-CA 3.38Å; F382-E719 PolarHBondContact O-N 2.74Å; F382-S720 PolarHBondContact N-OG 3.39Å; F382-I740 HydrophobicContact CD1-CG1 4.35Å |
| 383 | K | 95.7 | Very high | 92.7 | Very high | 23 Ų | 23 | 15.3 Ų | 15.3 | 10% | 0.1 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -65.4 | -17.4 | 178.2 | 75 | 175.1 | -169.6 | 177.5 | 0 | 114 | E277 G278 E307 T308 I310 A381 G385 Y718 | E277-K383 WeakPolarHBondContact O-CE 3.41Å; E277-K383 PolarHBondContact O-NZ 3.48Å; G278-K383 PolarHBondContact O-NZ 3.18Å; E307-K383 IonicContact OE2-NZ 3.53Å; E307-K383 PolarHBondContact OE2-NZ 2.88Å; T308-K383 WeakPolarHBondContact O-CE 3.3Å; T308-K383 PolarHBondContact O-NZ 3.01Å; I310-K383 HydrophobicContact CD1-CG 4.15Å; I310-K383 HydrophobicContact CG1-CD 4.47Å; I310-K383 HydrophobicContact CG1-CG 4.2Å; A381-K383 PolarHBondContact O-N 2.84Å; K383-G385 VanDerWaalsContact C-N 3.34Å; K383-Y718 WeakPolarHBondContact O-CA 3.32Å; K383-Y718 WeakPolarHBondContact O-CD1 3.32Å |
| 384 | E | 96.7 | Very high | 92.7 | Very high | 32 Ų | 32 | 15 Ų | 15 | 15% | 0.15 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -90 | -3.2 | 179.6 | -53.2 | -57.7 | 156.6 | 0 | 0 | 112.8 | S309 I310 L328 A381 F382 S386 | S309-E384 VanDerWaalsContact CA-OE1 3.22Å; S309-E384 WeakPolarHBondContact CA-OE1 3.49Å; I310-E384 HydrophobicContact CB-CG 4.36Å; I310-E384 HydrophobicContact CD1-CG 3.94Å; I310-E384 HydrophobicContact CG1-CG 3.96Å; I310-E384 PolarHBondContact N-OE1 2.92Å; L328-E384 WeakPolarHBondContact O-CB 3.31Å; A381-E384 WeakPolarHBondContact O-CB 3.18Å; A381-E384 PolarHBondContact O-N 2.86Å; F382-E384 PolarHBondContact O-N 2.82Å; E384-S386 PolarHBondContact O-N 2.99Å; E384-S386 PolarHBondContact O-OG 3.42Å |
| 385 | G | 98.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | trans | -59.9 | 129.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S379 A381 F382 K383 L717 Y718 E719 | S379-G385 WeakPolarHBondContact O-CA 3.47Å; A381-G385 PolarHBondContact O-N 3.01Å; F382-G385 PolarHBondContact O-N 2.82Å; K383-G385 VanDerWaalsContact C-N 3.34Å; G385-L717 WeakPolarHBondContact O-CA 3.5Å; G385-L717 WeakPolarHBondContact O-CB 3.48Å; G385-L717 PolarHBondContact O-N 3.02Å; G385-Y718 PolarHBondContact O-N 3.43Å; G385-Y718 VanDerWaalsContact O-N 3.11Å; G385-E719 WeakPolarHBondContact CA-O 3.42Å | ||
| 386 | S | 98.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 2% | 0.021 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 157.7 | -173.7 | 51.7 | 0 | 0 | 0 | 0 | 111.7 | S379 E384 R388 V715 | S379-S386 PolarHBondContact N-O 3.12Å; S379-S386 PolarHBondContact O-N 2.93Å; E384-S386 PolarHBondContact O-N 2.99Å; E384-S386 PolarHBondContact O-OG 3.42Å; S386-R388 PolarHBondContact OG-NE 3.4Å; S386-R388 PolarHBondContact OG-NH2 3.04Å; S386-V715 CarbonylContact C-O 3.57Å; S386-V715 VanDerWaalsContact CA-O 3.28Å; S386-V715 WeakPolarHBondContact CA-O 3.39Å; S386-V715 WeakPolarHBondContact CB-O 3.41Å |
| 387 | L | 98.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 136.5 | 160.7 | -55.2 | 178.6 | 0 | 0 | 0 | 109 | V376 T377 V715 L717 P721 I724 V735 I794 | V376-L387 HydrophobicContact CG1-CB 4.43Å; T377-L387 VanDerWaalsContact O-CA 3.27Å; T377-L387 WeakPolarHBondContact O-CA 3.33Å; L387-V715 HydrophobicContact CB-CB 4.25Å; L387-V715 PolarHBondContact N-O 3.12Å; L387-V715 PolarHBondContact O-N 3.03Å; L387-L717 HydrophobicContact CD2-CD1 4.1Å; L387-L717 HydrophobicContact CG-CD1 4Å; L387-L717 HydrophobicContact CG-CD2 4.46Å; L387-L717 HydrophobicContact CG-CG 4.37Å; L387-P721 HydrophobicContact CD2-CB 4.48Å; L387-I724 HydrophobicContact CD2-CD1 4.31Å; L387-V735 HydrophobicContact CD1-CG2 4.21Å; L387-V735 HydrophobicContact CD2-CG1 4.42Å; L387-V735 HydrophobicContact CD2-CG2 4.32Å; L387-I794 HydrophobicContact CD1-CD1 3.79Å |
| 388 | R | 96.1 | Very high | 90.3 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.015 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 124.6 | 173.3 | -49.2 | -72.3 | -179.6 | 145 | 10.9 | 109.1 | D330 N355 L356 V376 T377 S386 I390 I712 R713 T714 | D330-R388 IonicContact OD1-CZ 3.79Å; D330-R388 VanDerWaalsContact OD1-CZ 3.26Å; D330-R388 IonicContact OD1-NH1 3.86Å; D330-R388 PolarHBondContact OD1-NH1 3.11Å; D330-R388 IonicContact OD1-NH2 3.94Å; D330-R388 PolarHBondContact OD1-NH2 2.82Å; D330-R388 IonicContact OD2-CZ 3.97Å; D330-R388 IonicContact OD2-NH1 3.5Å; D330-R388 PolarHBondContact OD2-NH1 2.9Å; D330-R388 IonicContact OD2-NH2 2.83Å; D330-R388 PolarHBondContact OD2-NH2 2.74Å; N355-R388 PolarHBondContact O-NH2 2.89Å; L356-R388 HydrophobicContact CD2-CB 3.71Å; L356-R388 HydrophobicContact CD2-CG 3.6Å; V376-R388 CarbonylContact C-O 3.46Å; V376-R388 WeakPolarHBondContact CA-O 3.37Å; T377-R388 PolarHBondContact N-O 2.81Å; T377-R388 PolarHBondContact O-N 2.78Å; T377-R388 WeakPolarHBondContact OG1-CB 3.4Å; S386-R388 PolarHBondContact OG-NE 3.4Å; S386-R388 PolarHBondContact OG-NH2 3.04Å; R388-I390 HydrophobicContact CB-CD1 4.44Å; R388-I390 HydrophobicContact CB-CG1 4.31Å; R388-I712 HydrophobicContact CB-CG2 4.22Å; R388-R713 WeakPolarHBondContact CA-O 3.4Å; R388-T714 PolarHBondContact NH1-OG1 3.02Å |
| 389 | I | 93.5 | Very high | 89.8 | Confident | 8 Ų | 8 | 31.2 Ų | 31.2 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 114.8 | 177.7 | -54.9 | 82.7 | 0 | 0 | 0 | 107.3 | V376 I712 R713 V715 F799 | V376-I389 HydrophobicContact CG2-CG1 4.48Å; I389-I712 WeakPolarHBondContact O-CA 3.14Å; I389-R713 HydrophobicContact CB-CB 4.26Å; I389-R713 HydrophobicContact CD1-CB 4.46Å; I389-R713 HydrophobicContact CD1-CG 4.37Å; I389-R713 WeakPolarHBondContact CD1-O 3.31Å; I389-R713 PolarHBondContact N-O 3.15Å; I389-R713 PolarHBondContact O-N 2.86Å; I389-V715 HydrophobicContact CD1-CB 4.35Å; I389-V715 HydrophobicContact CD1-CG2 3.5Å; I389-V715 VanDerWaalsContact CD1-CG2 3.5Å; I389-F799 HydrophobicContact CD1-CD1 4.31Å; I389-F799 HydrophobicContact CD1-CE1 3.96Å; I389-F799 HydrophobicContact CD1-CE2 4.29Å; I389-F799 HydrophobicContact CD1-CZ 3.96Å; I389-F799 HydrophobicContact CG1-CE1 3.76Å; I389-F799 HydrophobicContact CG1-CE2 4.06Å; I389-F799 HydrophobicContact CG1-CZ 3.47Å; I389-F799 VanDerWaalsContact CG1-CZ 3.47Å |
| 390 | I | 91.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 123.4 | -169.1 | -52 | 175.3 | 0 | 0 | 0 | 108 | L356 Q374 L375 T377 R388 L710 I712 I1037 | L356-I390 HydrophobicContact CD1-CD1 3.72Å; L356-I390 HydrophobicContact CD2-CD1 3.99Å; Q374-I390 WeakPolarHBondContact CA-O 3.16Å; L375-I390 HydrophobicContact CB-CB 4.28Å; L375-I390 HydrophobicContact CD2-CD1 4.36Å; L375-I390 PolarHBondContact N-O 3.09Å; L375-I390 PolarHBondContact O-N 3.34Å; T377-I390 HydrophobicContact CG2-CD1 3.97Å; R388-I390 HydrophobicContact CB-CD1 4.44Å; R388-I390 HydrophobicContact CB-CG1 4.31Å; I390-L710 HydrophobicContact CG2-CB 4.29Å; I390-L710 HydrophobicContact CG2-CD1 4.16Å; I390-I712 HydrophobicContact CG1-CG1 4.28Å; I390-I712 HydrophobicContact CG1-CG2 4.42Å; I390-I712 HydrophobicContact CG2-CG1 4.37Å; I390-I1037 HydrophobicContact CD1-CD1 3.36Å |
| 391 | R | 83.1 | Confident | 89.1 | Confident | 55 Ų | 55 | 34.8 Ų | 34.8 | 21% | 0.208 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 150.9 | 178.7 | 64.9 | -176.6 | 175.4 | 175.3 | 1.2 | 110.3 | N672 L710 H711 | R391-N672 VanDerWaalsContact CZ-ND2 3.3Å; R391-N672 PolarHBondContact NE-ND2 2.95Å; R391-L710 CarbonylContact O-C 3.55Å; R391-L710 WeakPolarHBondContact O-CA 3.3Å; R391-H711 HydrophobicContact CG-CB 3.81Å; R391-H711 PolarHBondContact N-O 3.12Å; R391-H711 PolarHBondContact NE-CE1 3.21Å; R391-H711 VanDerWaalsContact NE-CG 3.33Å; R391-H711 PolarHBondContact NE-ND1 3.09Å; R391-H711 PolarHBondContact NH2-CE1 3.21Å; R391-H711 PolarHBondContact NH2-ND1 3.34Å; R391-H711 PolarHBondContact NH2-NE2 3.19Å; R391-H711 PolarHBondContact O-N 3.39Å |
| 392 | N | 77.1 | Confident | 88.9 | Confident | 41 Ų | 41 | 36.3 Ų | 36.3 | 22% | 0.219 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 130.7 | 171.8 | -174 | -10.8 | 0 | 0 | 0 | 110.2 | Q372 N672 K709 L710 L1012 | Q372-N392 PolarHBondContact NE2-O 3.31Å; N392-N672 PolarHBondContact O-OD1 3.35Å; N392-K709 PolarHBondContact OD1-O 2.78Å; N392-K709 VanDerWaalsContact OD1-O 3.12Å; N392-L710 HydrophobicContact CB-CD2 4.17Å; N392-L1012 WeakPolarHBondContact CB-O 3.21Å |
| 393 | G | 75.3 | Confident | 88.8 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 121.1 | 164.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N670 N672 K709 H711 | G393-N670 CarbonylContact C-O 3.59Å; G393-N670 WeakPolarHBondContact CA-O 3.4Å; G393-N672 PolarHBondContact O-ND2 2.61Å; G393-N672 VanDerWaalsContact O-ND2 3.13Å; G393-K709 PolarHBondContact N-O 2.96Å; G393-H711 WeakPolarHBondContact O-CB 3.48Å; G393-H711 PolarHBondContact O-N 3.17Å |
| 394 | I | 78.3 | Confident | 88.6 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -84.7 | 132.3 | -178.2 | -55.4 | 166.3 | 0 | 0 | 0 | 110.2 | V658 N670 V671 N672 I704 D705 I707 | I394-V658 HydrophobicContact CD1-CB 3.79Å; I394-V658 HydrophobicContact CD1-CG1 4.32Å; I394-V658 HydrophobicContact CD1-CG2 4.14Å; I394-N670 PolarHBondContact N-O 3.04Å; I394-V671 CarbonylContact O-C 3.51Å; I394-V671 WeakPolarHBondContact O-CA 3.29Å; I394-N672 VanDerWaalsContact C-ND2 3.28Å; I394-N672 PolarHBondContact O-N 2.94Å; I394-N672 PolarHBondContact O-ND2 3.13Å; I394-N672 VanDerWaalsContact O-ND2 3.11Å; I394-I704 HydrophobicContact CG2-CD1 3.95Å; I394-I704 HydrophobicContact CG2-CG1 3.63Å; I394-D705 HydrophobicContact CG2-CB 4.36Å; I394-I707 HydrophobicContact CD1-CB 4.46Å; I394-I707 HydrophobicContact CD1-CG1 4.42Å; I394-I707 HydrophobicContact CD1-CG2 3.87Å |
| 395 | G | 77.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -81.4 | 157.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D705 | G395-D705 WeakPolarHBondContact CA-OD2 3.48Å; G395-D705 PolarHBondContact N-OD2 3.37Å; G395-D705 PolarHBondContact O-N 2.91Å; G395-D705 VanDerWaalsContact O-N 3.09Å | ||
| 396 | I | 81.7 | Confident | 88.2 | Confident | 29 Ų | 29 | 42.3 Ų | 42.3 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125.9 | 167.6 | -62.6 | -66.9 | 0 | 0 | 0 | 106.8 | V671 L673 L693 T703 I704 | I396-V671 HydrophobicContact CD1-CG1 3.91Å; I396-V671 HydrophobicContact CG1-CG1 3.44Å; I396-V671 VanDerWaalsContact CG1-CG1 3.44Å; I396-L673 HydrophobicContact CB-CD1 4.41Å; I396-L673 HydrophobicContact CG1-CD1 3.84Å; I396-L673 HydrophobicContact CG1-CG 4.18Å; I396-L693 HydrophobicContact CD1-CD1 4.5Å; I396-L693 HydrophobicContact CG1-CD1 4.42Å; I396-L693 HydrophobicContact CG2-CD1 4.26Å; I396-T703 WeakPolarHBondContact CA-O 3.21Å; I396-I704 HydrophobicContact CD1-CB 3.74Å; I396-I704 HydrophobicContact CD1-CD1 4.09Å; I396-I704 HydrophobicContact CD1-CG1 3.72Å |
| 397 | H | 81.9 | Confident | 88.1 | Confident | 109 Ų | 109 | 42.5 Ų | 42.5 | 51% | 0.505 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 108.4 | 168.2 | -71.1 | -61.4 | 0 | 0 | 0 | 109.3 | H399 G702 T703 D705 | H397-H399 PolarHBondContact O-N 2.84Å; H397-G702 CarbonylContact O-C 3.54Å; H397-G702 WeakPolarHBondContact O-CA 3.2Å; H397-T703 PolarHBondContact N-O 2.98Å; H397-T703 PolarHBondContact O-N 2.65Å; H397-D705 IonicContact CD2-OD1 2.94Å; H397-D705 PolarHBondContact CD2-OD1 3.41Å; H397-D705 IonicContact CE1-OD1 3.74Å; H397-D705 IonicContact CG-OD1 2.67Å; H397-D705 IonicContact NE2-OD1 2.71Å; H397-D705 PolarHBondContact NE2-OD1 3.09Å; H397-D705 VanDerWaalsContact NE2-OD1 3.12Å |
| 398 | E | 87.5 | Confident | 87.9 | Confident | 122 Ų | 122 | 46.5 Ų | 46.5 | 57% | 0.57 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 119.3 | 176.2 | 174.7 | 170.7 | 151.7 | 0 | 0 | 110.8 | S401 T700 | E398-S401 WeakPolarHBondContact OE1-CB 3.47Å; E398-T700 HydrophobicContact CB-CG2 4.21Å; E398-T700 HydrophobicContact CG-CG2 3.72Å |
| 399 | H | 87.7 | Confident | 87.8 | Confident | 104 Ų | 104 | 46.4 Ų | 46.4 | 48% | 0.481 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -38.9 | 176 | -64.6 | -53.5 | 0 | 0 | 0 | 111.8 | H397 Y687 I701 T703 | H397-H399 PolarHBondContact O-N 2.84Å; H399-Y687 HydrophobicContact CB-CD1 4.17Å; H399-Y687 HydrophobicContact CB-CE1 4.11Å; H399-I701 PolarHBondContact N-O 3.43Å; H399-T703 VanDerWaalsContact NE2-CG2 3.31Å; H399-T703 WeakPolarHBondContact NE2-CG2 3.41Å; H399-T703 PolarHBondContact NE2-OG1 2.82Å |
| 400 | A | 89.9 | Confident | 87.9 | Confident | 22 Ų | 22 | 46.3 Ų | 46.3 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 150.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y687 T700 I701 | A400-Y687 HydrophobicContact CB-CE1 4.08Å; A400-Y687 WeakPolarHBondContact CB-OH 3.37Å; A400-T700 CarbonylContact O-C 3.6Å; A400-T700 WeakPolarHBondContact O-CA 3.14Å; A400-I701 HydrophobicContact CB-CB 4.32Å; A400-I701 PolarHBondContact N-O 2.81Å; A400-I701 PolarHBondContact O-N 3.02Å |
| 401 | S | 91.4 | Very high | 88.2 | Confident | 57 Ų | 57 | 47.5 Ų | 47.5 | 40% | 0.399 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 130.8 | 175.4 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | E398 L699 | E398-S401 WeakPolarHBondContact OE1-CB 3.47Å; S401-L699 CarbonylContact C-O 3.59Å; S401-L699 WeakPolarHBondContact CA-O 3.48Å |
| 402 | I | 93.5 | Very high | 88.9 | Confident | 48 Ų | 48 | 46.2 Ų | 46.2 | 25% | 0.246 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 124.3 | -173.6 | -47.9 | 176.2 | 0 | 0 | 0 | 108 | L404 V443 T698 L699 | I402-L404 HydrophobicContact CB-CD1 4.25Å; I402-L404 HydrophobicContact CG2-CD1 3.69Å; I402-L404 HydrophobicContact CG2-CG 3.84Å; I402-L404 PolarHBondContact O-N 3.34Å; I402-V443 HydrophobicContact CD1-CB 4.2Å; I402-V443 HydrophobicContact CD1-CG1 4.05Å; I402-V443 HydrophobicContact CD1-CG2 4.25Å; I402-T698 CarbonylContact O-C 3.47Å; I402-T698 WeakPolarHBondContact O-CA 3.38Å; I402-L699 HydrophobicContact CB-CB 4.44Å; I402-L699 HydrophobicContact CD1-CD2 4.42Å; I402-L699 PolarHBondContact N-O 3.18Å; I402-L699 PolarHBondContact O-N 2.89Å |
| 403 | D | 92.3 | Very high | 89.7 | Confident | 134 Ų | 134 | 44.3 Ų | 44.3 | 72% | 0.717 | 24% | 0.242 | S | C | * | . | trans | -72.4 | 90.5 | 178.2 | -70 | -32.7 | 0 | 0 | 0 | 111.1 | T698 | D403-T698 WeakPolarHBondContact OD1-CG2 3.39Š| ||
| 404 | L | 91.1 | Very high | 90.6 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 14% | 0.141 | 26% | 0.258 | C | S | . | . | trans | -130.3 | 86.1 | -179.2 | -75.7 | 169.6 | 0 | 0 | 0 | 110.7 | I402 I407 L427 L436 S697 L699 | I402-L404 HydrophobicContact CB-CD1 4.25Å; I402-L404 HydrophobicContact CG2-CD1 3.69Å; I402-L404 HydrophobicContact CG2-CG 3.84Å; I402-L404 PolarHBondContact O-N 3.34Å; L404-I407 HydrophobicContact CB-CD1 4.05Å; L404-I407 WeakPolarHBondContact O-CD1 3.23Å; L404-L427 HydrophobicContact CD1-CD1 3.87Å; L404-L436 HydrophobicContact CD1-CD1 4.27Å; L404-S697 CarbonylContact C-O 3.59Å; L404-S697 VanDerWaalsContact C-O 3.3Å; L404-S697 PolarHBondContact N-O 3.24Å; L404-L699 HydrophobicContact CB-CB 4.47Å; L404-L699 HydrophobicContact CD1-CB 4.41Å; L404-L699 HydrophobicContact CD1-CD2 4.1Å | ||
| 405 | P | 93.2 | Very high | 91.2 | Very high | 87 Ų | 87 | 49.2 Ų | 49.2 | 57% | 0.565 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 150.6 | -178 | 29.3 | -35 | 0 | 0 | 0 | 112.7 | F429 N696 | P405-F429 WeakPolarHBondContact O-CE1 3.37Å; P405-N696 WeakPolarHBondContact CA-O 3.06Å |
| 406 | G | 93 | Very high | 91.7 | Very high | 36 Ų | 36 | 51.8 Ų | 51.8 | 37% | 0.371 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 16.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | F429 N696 | G406-F429 WeakPolarHBondContact O-CD1 3.27Å; G406-N696 PolarHBondContact N-O 2.85Å |
| 407 | I | 95.9 | Very high | 91.8 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | trans | -57.9 | 135.3 | 173.8 | -64.2 | 166.7 | 0 | 0 | 0 | 110.4 | L404 L410 L427 F429 Y678 A694 L699 | L404-I407 HydrophobicContact CB-CD1 4.05Å; L404-I407 WeakPolarHBondContact O-CD1 3.23Å; I407-L410 HydrophobicContact CG2-CD2 4.38Å; I407-L410 HydrophobicContact CG2-CG 3.98Å; I407-L427 HydrophobicContact CD1-CD2 3.94Å; I407-L427 HydrophobicContact CG1-CD2 4.27Å; I407-L427 HydrophobicContact CG2-CD2 4.47Å; I407-F429 HydrophobicContact CG1-CE1 3.77Å; I407-F429 HydrophobicContact CG1-CZ 3.96Å; I407-Y678 HydrophobicContact CG2-CD2 4.49Å; I407-Y678 VanDerWaalsContact O-CE2 3.32Å; I407-Y678 WeakPolarHBondContact O-CE2 3.41Å; I407-A694 HydrophobicContact CB-CB 4.06Å; I407-A694 HydrophobicContact CD1-CB 3.71Å; I407-A694 HydrophobicContact CG1-CB 4.49Å; I407-A694 HydrophobicContact CG2-CB 3.91Å; I407-L699 HydrophobicContact CD1-CB 4Å | ||
| 408 | K | 94.4 | Very high | 92.1 | Very high | 85 Ų | 85 | 53.8 Ų | 53.8 | 37% | 0.37 | 29% | 0.292 | S | S | . | . | trans | -122.3 | -0.4 | 179.6 | -65 | -57.8 | 179.1 | -165.8 | 0 | 113.9 | S428 V430 Y678 | K408-S428 WeakPolarHBondContact CA-O 3.3Å; K408-S428 PolarHBondContact N-O 2.85Å; K408-V430 HydrophobicContact CG-CG2 4.09Å; K408-Y678 VanDerWaalsContact C-CZ 3.48Å; K408-Y678 VanDerWaalsContact CA-CE2 3.5Å; K408-Y678 HydrophobicContact CD-CE2 4.42Å; K408-Y678 WeakPolarHBondContact O-CE1 3.4Å; K408-Y678 PolarHBondContact O-OH 2.99Å | ||
| 409 | G | 95.2 | Very high | 92 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.8 | 149.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | S428 | G409-S428 PolarHBondContact N-O 2.88Å; G409-S428 PolarHBondContact O-N 2.94Å |
| 410 | L | 96.2 | Very high | 91.9 | Very high | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 128.1 | -175.8 | -77.8 | 166 | 0 | 0 | 0 | 108.8 | I407 L425 V426 L427 C680 A694 L699 | I407-L410 HydrophobicContact CG2-CD2 4.38Å; I407-L410 HydrophobicContact CG2-CG 3.98Å; L410-L425 HydrophobicContact CD2-CD1 4.36Å; L410-L425 HydrophobicContact CD2-CD2 4.34Å; L410-L425 HydrophobicContact CD2-CG 4.46Å; L410-V426 WeakPolarHBondContact CA-O 3.04Å; L410-L427 HydrophobicContact CD2-CD2 3.17Å; L410-L427 HydrophobicContact CD2-CG 4.49Å; L410-L427 HydrophobicContact CG-CD2 4.34Å; L410-C680 HydrophobicContact CB-CB 4.11Å; L410-A694 HydrophobicContact CD1-CB 3.6Å; L410-A694 HydrophobicContact CG-CB 4.47Å; L410-L699 HydrophobicContact CD1-CD1 4.25Å; L410-L699 HydrophobicContact CD2-CD1 3.82Å |
| 411 | W | 97.1 | Very high | 92 | Very high | 25 Ų | 25 | 56.5 Ų | 56.5 | 10% | 0.095 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 132.2 | 173.3 | -60.8 | -92.2 | 0 | 0 | 0 | 111.1 | V426 T457 F458 F459 C460 | W411-V426 PolarHBondContact N-O 3Å; W411-V426 VanDerWaalsContact N-O 3.12Å; W411-V426 PolarHBondContact O-N 3.33Å; W411-T457 HydrophobicContact CH2-CG2 4.49Å; W411-T457 HydrophobicContact CZ3-CG2 4.13Å; W411-F458 VanDerWaalsContact CZ2-O 3.22Å; W411-F458 WeakPolarHBondContact CZ2-O 3.44Å; W411-F459 AromaticContact NE1-CD2 3.9Å; W411-C460 VanDerWaalsContact CB-SG 3.58Å |
| 412 | P | 96.2 | Very high | 92.1 | Very high | 29 Ų | 29 | 54.7 Ų | 54.7 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 151.1 | 167.6 | 36.3 | -38 | 0 | 0 | 0 | 109.7 | D422 T424 P681 L682 | P412-D422 HydrophobicContact CB-CB 4.05Å; P412-T424 CarbonylContact C-O 3.54Å; P412-T424 WeakPolarHBondContact CA-O 3.48Å; P412-P681 WeakPolarHBondContact CG-O 3.49Å; P412-L682 HydrophobicContact CB-CD1 4.37Å |
| 413 | L | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 149.3 | 171 | -65.6 | 179.8 | 0 | 0 | 0 | 110.1 | D423 T424 V426 L448 F451 G461 N462 L468 | L413-D423 PolarHBondContact O-N 2.79Å; L413-D423 VanDerWaalsContact O-N 3.14Å; L413-T424 HydrophobicContact CB-CG2 4.39Å; L413-T424 PolarHBondContact N-O 2.9Å; L413-T424 PolarHBondContact O-N 3.46Å; L413-T424 VanDerWaalsContact O-N 3.12Å; L413-V426 HydrophobicContact CD1-CG2 3.4Å; L413-V426 VanDerWaalsContact CD1-CG2 3.4Å; L413-V426 HydrophobicContact CG-CG2 3.98Å; L413-L448 HydrophobicContact CD1-CD2 3.91Å; L413-F451 HydrophobicContact CD1-CE1 4.22Å; L413-F451 HydrophobicContact CD1-CZ 4.07Å; L413-G461 VanDerWaalsContact CD2-C 3.42Å; L413-N462 WeakPolarHBondContact CA-OD1 3.01Å; L413-L468 HydrophobicContact CD2-CD2 4.46Å |
| 414 | R | 93.6 | Very high | 92.2 | Very high | 94 Ų | 94 | 46.5 Ų | 46.5 | 36% | 0.355 | 24% | 0.243 | S | C | . | . | trans | -97.8 | 100.3 | 159.6 | -59.1 | -170.6 | -66.5 | -85.4 | 0.5 | 108.6 | E420 T421 D422 N462 Q481 | R414-E420 WeakPolarHBondContact CD-O 3.41Å; R414-T421 WeakPolarHBondContact CG-O 3.38Å; R414-D422 IonicContact NH1-OD1 3.74Å; R414-N462 PolarHBondContact N-OD1 2.79Å; R414-N462 PolarHBondContact O-ND2 3.12Å; R414-Q481 PolarHBondContact O-NE2 2.82Å | ||
| 415 | S | 90.2 | Very high | 92.5 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | trans | -75.1 | -33.3 | -178 | 87.9 | 0 | 0 | 0 | 0 | 112.1 | D423 T424 K484 | S415-D423 WeakPolarHBondContact CB-OD1 3.42Å; S415-D423 WeakPolarHBondContact CB-OD2 3.47Å; S415-D423 PolarHBondContact N-OD1 2.83Å; S415-D423 PolarHBondContact N-OD2 3.28Å; S415-D423 PolarHBondContact OG-OD1 2.86Å; S415-D423 PolarHBondContact OG-OD2 3.48Å; S415-T424 WeakPolarHBondContact CB-OG1 3.43Å; S415-K484 PolarHBondContact OG-NZ 2.82Å | ||
| 416 | D | 88.2 | Confident | 92.7 | Very high | 55 Ų | 55 | 41.1 Ų | 41.1 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -94.3 | 126.9 | 174.9 | -172 | -19.4 | 0 | 0 | 0 | 110.6 | N418 R419 D423 | D416-N418 PolarHBondContact O-N 2.63Å; D416-N418 WeakPolarHBondContact OD1-CB 3.17Å; D416-N418 PolarHBondContact OD1-N 3.4Å; D416-N418 PolarHBondContact OD1-ND2 3.2Å; D416-R419 HydrophobicContact CB-CG 4.17Å; D416-R419 PolarHBondContact O-N 3.45Å; D416-D423 PolarHBondContact N-OD2 3.09Å |
| 417 | P | 84.6 | Confident | 92.9 | Very high | 41 Ų | 41 | 39.4 Ų | 39.4 | 27% | 0.266 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -18 | 176.2 | 27.8 | -35.9 | 0 | 0 | 0 | 114 | Q466 | P417-Q466 HydrophobicContact CB-CG 4.37Š|
| 418 | N | 86.8 | Confident | 92.9 | Very high | 138 Ų | 138 | 39.1 Ų | 39.1 | 74% | 0.738 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -8.5 | -178 | -56.3 | -62.5 | 0 | 0 | 0 | 113.9 | D416 | D416-N418 PolarHBondContact O-N 2.63Å; D416-N418 WeakPolarHBondContact OD1-CB 3.17Å; D416-N418 PolarHBondContact OD1-N 3.4Å; D416-N418 PolarHBondContact OD1-ND2 3.2Å |
| 419 | R | 86.2 | Confident | 93 | Very high | 88 Ų | 88 | 35.7 Ų | 35.7 | 33% | 0.332 | 18% | 0.175 | S | C | . | . | trans | -91.1 | 140.1 | 178.3 | -72.1 | -170.9 | 176.4 | -153.1 | 2.2 | 111.5 | D416 | D416-R419 HydrophobicContact CB-CG 4.17Å; D416-R419 PolarHBondContact O-N 3.45Å | ||
| 420 | E | 86 | Confident | 92.9 | Very high | 187 Ų | 187 | 40.9 Ų | 40.9 | 87% | 0.874 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -88.6 | -27.9 | 172.1 | -64 | -171.7 | 167.4 | 0 | 0 | 112.1 | R414 | R414-E420 WeakPolarHBondContact CD-O 3.41Š|
| 421 | T | 91.2 | Very high | 92.7 | Very high | 30 Ų | 30 | 42.7 Ų | 42.7 | 18% | 0.184 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -95.2 | 157.6 | 178.9 | 49.5 | 0 | 0 | 0 | 0 | 112.2 | R414 N683 D685 | R414-T421 WeakPolarHBondContact CG-O 3.38Å; T421-N683 WeakPolarHBondContact CB-O 3.16Å; T421-D685 WeakPolarHBondContact CB-OD1 3.5Å; T421-D685 PolarHBondContact OG1-OD1 3.37Å |
| 422 | D | 93.8 | Very high | 92.7 | Very high | 19 Ų | 19 | 45 Ų | 45 | 10% | 0.102 | 24% | 0.238 | C | C | . | . | trans | -69.3 | 129.4 | 175.8 | -56.6 | -42.4 | 0 | 0 | 0 | 110 | P412 R414 L682 N683 S684 | P412-D422 HydrophobicContact CB-CB 4.05Å; R414-D422 IonicContact NH1-OD1 3.74Å; D422-L682 HydrophobicContact CB-CD1 4.13Å; D422-N683 PolarHBondContact N-O 2.92Å; D422-N683 PolarHBondContact OD2-N 3.17Å; D422-N683 VanDerWaalsContact OD2-N 3.11Å; D422-S684 WeakPolarHBondContact O-CB 3.45Å | ||
| 423 | D | 93.7 | Very high | 92.7 | Very high | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | trans | -114.1 | -6.8 | -177.8 | 68.6 | -3.7 | 0 | 0 | 0 | 112.9 | L413 S415 D416 L438 | L413-D423 PolarHBondContact O-N 2.79Å; L413-D423 VanDerWaalsContact O-N 3.14Å; S415-D423 WeakPolarHBondContact CB-OD1 3.42Å; S415-D423 WeakPolarHBondContact CB-OD2 3.47Å; S415-D423 PolarHBondContact N-OD1 2.83Å; S415-D423 PolarHBondContact N-OD2 3.28Å; S415-D423 PolarHBondContact OG-OD1 2.86Å; S415-D423 PolarHBondContact OG-OD2 3.48Å; D416-D423 PolarHBondContact N-OD2 3.09Å; D423-L438 PolarHBondContact O-N 2.84Å | ||
| 424 | T | 95.1 | Very high | 92.7 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 136.4 | -169.8 | -56.7 | 0 | 0 | 0 | 0 | 110.3 | P412 L413 S415 V426 V435 L436 | P412-T424 CarbonylContact C-O 3.54Å; P412-T424 WeakPolarHBondContact CA-O 3.48Å; L413-T424 HydrophobicContact CB-CG2 4.39Å; L413-T424 PolarHBondContact N-O 2.9Å; L413-T424 PolarHBondContact O-N 3.46Å; L413-T424 VanDerWaalsContact O-N 3.12Å; S415-T424 WeakPolarHBondContact CB-OG1 3.43Å; T424-V426 HydrophobicContact CG2-CG2 4.36Å; T424-V435 HydrophobicContact CG2-CG1 3.22Å; T424-L436 CarbonylContact C-O 3.55Å; T424-L436 VanDerWaalsContact CA-O 3.27Å; T424-L436 WeakPolarHBondContact CA-O 3.41Å |
| 425 | L | 96.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 119.5 | 172.9 | -175.1 | 67.8 | 0 | 0 | 0 | 109.9 | L410 L436 C680 A692 L699 | L410-L425 HydrophobicContact CD2-CD1 4.36Å; L410-L425 HydrophobicContact CD2-CD2 4.34Å; L410-L425 HydrophobicContact CD2-CG 4.46Å; L425-L436 HydrophobicContact CB-CB 4.38Å; L425-L436 PolarHBondContact N-O 3.26Å; L425-L436 PolarHBondContact O-N 2.57Å; L425-C680 VanDerWaalsContact CD1-SG 3.59Å; L425-A692 HydrophobicContact CD1-CB 4.45Å; L425-A692 HydrophobicContact CD2-CB 4.36Å; L425-L699 HydrophobicContact CD2-CD2 3.9Å |
| 426 | V | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 126.8 | 179 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | L410 W411 L413 T424 T433 V435 | L410-V426 WeakPolarHBondContact CA-O 3.04Å; W411-V426 PolarHBondContact N-O 3Å; W411-V426 VanDerWaalsContact N-O 3.12Å; W411-V426 PolarHBondContact O-N 3.33Å; L413-V426 HydrophobicContact CD1-CG2 3.4Å; L413-V426 VanDerWaalsContact CD1-CG2 3.4Å; L413-V426 HydrophobicContact CG-CG2 3.98Å; T424-V426 HydrophobicContact CG2-CG2 4.36Å; V426-T433 HydrophobicContact CG1-CG2 3.53Å; V426-V435 HydrophobicContact CG2-CG1 4.36Å; V426-V435 HydrophobicContact CG2-CG2 4.27Å |
| 427 | L | 97 | Very high | 93.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 119.6 | -179.2 | -62.1 | 169 | 0 | 0 | 0 | 110 | L404 I407 L410 F429 T433 R434 L436 L699 | L404-L427 HydrophobicContact CD1-CD1 3.87Å; I407-L427 HydrophobicContact CD1-CD2 3.94Å; I407-L427 HydrophobicContact CG1-CD2 4.27Å; I407-L427 HydrophobicContact CG2-CD2 4.47Å; L410-L427 HydrophobicContact CD2-CD2 3.17Å; L410-L427 HydrophobicContact CD2-CG 4.49Å; L410-L427 HydrophobicContact CG-CD2 4.34Å; L427-F429 HydrophobicContact CB-CD2 4.4Å; L427-F429 HydrophobicContact CB-CE2 3.55Å; L427-F429 HydrophobicContact CB-CZ 4.06Å; L427-F429 HydrophobicContact CD1-CE2 4.44Å; L427-F429 HydrophobicContact CD1-CZ 4.36Å; L427-T433 CarbonylContact O-C 3.56Å; L427-T433 WeakPolarHBondContact O-CA 3.43Å; L427-R434 HydrophobicContact CB-CB 4.38Å; L427-R434 PolarHBondContact N-O 3.5Å; L427-R434 PolarHBondContact O-N 3.06Å; L427-L436 HydrophobicContact CD1-CD1 3.49Å; L427-L436 VanDerWaalsContact CD1-CD1 3.49Å; L427-L436 HydrophobicContact CD1-CD2 4.47Å; L427-L436 HydrophobicContact CD1-CG 3.8Å; L427-L436 HydrophobicContact CG-CD1 4.37Å; L427-L699 HydrophobicContact CD2-CD2 4.11Å |
| 428 | S | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 138.2 | 174.4 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | K408 G409 Q456 T457 | K408-S428 WeakPolarHBondContact CA-O 3.3Å; K408-S428 PolarHBondContact N-O 2.85Å; G409-S428 PolarHBondContact N-O 2.88Å; G409-S428 PolarHBondContact O-N 2.94Å; S428-Q456 VanDerWaalsContact OG-CG 3.28Å; S428-Q456 WeakPolarHBondContact OG-CG 3.17Å; S428-T457 WeakPolarHBondContact CB-O 3.37Å; S428-T457 PolarHBondContact OG-N 3.1Å; S428-T457 VanDerWaalsContact OG-N 3.11Å; S428-T457 PolarHBondContact OG-O 3.24Å |
| 429 | F | 96.3 | Very high | 93.8 | Very high | 12 Ų | 12 | 40.9 Ų | 40.9 | 5% | 0.053 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 174.8 | 175.2 | -57.8 | -98.7 | 0 | 0 | 0 | 109.3 | P405 G406 I407 L427 G431 Q432 R434 Q456 | P405-F429 WeakPolarHBondContact O-CE1 3.37Å; G406-F429 WeakPolarHBondContact O-CD1 3.27Å; I407-F429 HydrophobicContact CG1-CE1 3.77Å; I407-F429 HydrophobicContact CG1-CZ 3.96Å; L427-F429 HydrophobicContact CB-CD2 4.4Å; L427-F429 HydrophobicContact CB-CE2 3.55Å; L427-F429 HydrophobicContact CB-CZ 4.06Å; L427-F429 HydrophobicContact CD1-CE2 4.44Å; L427-F429 HydrophobicContact CD1-CZ 4.36Å; F429-G431 PolarHBondContact O-N 3.35Å; F429-Q432 CarbonylContact C-O 3.5Å; F429-Q432 HydrophobicContact CB-CG 3.56Å; F429-Q432 HydrophobicContact CD2-CG 4.12Å; F429-Q432 HydrophobicContact CG-CG 4.12Å; F429-Q432 PolarHBondContact N-O 2.93Å; F429-Q432 PolarHBondContact O-N 3.04Å; F429-Q432 VanDerWaalsContact O-O 3.07Å; F429-R434 HydrophobicContact CD2-CG 4.24Å; F429-R434 HydrophobicContact CE2-CB 4.02Å; F429-R434 HydrophobicContact CE2-CG 3.84Å; F429-Q456 WeakPolarHBondContact O-CB 3.5Å; F429-Q456 VanDerWaalsContact O-CG 3.3Å; F429-Q456 WeakPolarHBondContact O-CG 3.13Å |
| 430 | V | 93.8 | Very high | 93.8 | Very high | 111 Ų | 111 | 38.1 Ų | 38.1 | 67% | 0.673 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 107.8 | 175.2 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | K408 Q432 | K408-V430 HydrophobicContact CG-CG2 4.09Å; V430-Q432 VanDerWaalsContact C-N 3.33Å; V430-Q432 PolarHBondContact O-N 2.89Å |
| 431 | G | 92.1 | Very high | 93.8 | Very high | 43 Ų | 43 | 36.5 Ų | 36.5 | 44% | 0.443 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 11.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | F429 D454 | F429-G431 PolarHBondContact O-N 3.35Å; G431-D454 CarbonylContact O-C 3.54Å |
| 432 | Q | 95.4 | Very high | 93.7 | Very high | 74 Ų | 74 | 41 Ų | 41 | 35% | 0.346 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 156.7 | 174.3 | 67.2 | -177.6 | 16.3 | 0 | 0 | 111.2 | F429 V430 D453 Q455 | F429-Q432 CarbonylContact C-O 3.5Å; F429-Q432 HydrophobicContact CB-CG 3.56Å; F429-Q432 HydrophobicContact CD2-CG 4.12Å; F429-Q432 HydrophobicContact CG-CG 4.12Å; F429-Q432 PolarHBondContact N-O 2.93Å; F429-Q432 PolarHBondContact O-N 3.04Å; F429-Q432 VanDerWaalsContact O-O 3.07Å; V430-Q432 VanDerWaalsContact C-N 3.33Å; V430-Q432 PolarHBondContact O-N 2.89Å; Q432-D453 CarbonylContact C-O 3.3Å; Q432-D453 WeakPolarHBondContact CA-O 3.44Å; Q432-Q455 CarbonylContact C-O 3.58Å; Q432-Q455 VanDerWaalsContact C-O 3.3Å |
| 433 | T | 96.6 | Very high | 93.5 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 6% | 0.055 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 129.6 | 172.6 | -64.1 | 0 | 0 | 0 | 0 | 108.6 | V426 L427 D453 Q455 T457 | V426-T433 HydrophobicContact CG1-CG2 3.53Å; L427-T433 CarbonylContact O-C 3.56Å; L427-T433 WeakPolarHBondContact O-CA 3.43Å; T433-D453 PolarHBondContact N-O 3.21Å; T433-Q455 PolarHBondContact N-O 3.48Å; T433-Q455 PolarHBondContact OG1-O 3.2Å; T433-T457 WeakPolarHBondContact CG2-OG1 3.4Å; T433-T457 WeakPolarHBondContact OG1-CB 3.26Å; T433-T457 PolarHBondContact OG1-N 3.28Å; T433-T457 PolarHBondContact OG1-OG1 3.49Å |
| 434 | R | 95.9 | Very high | 93.4 | Very high | 87 Ų | 87 | 46.4 Ų | 46.4 | 33% | 0.328 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 153.2 | 174.4 | -61.2 | -176.1 | 179.3 | -166.8 | -0.3 | 110.4 | L427 F429 E445 | L427-R434 HydrophobicContact CB-CB 4.38Å; L427-R434 PolarHBondContact N-O 3.5Å; L427-R434 PolarHBondContact O-N 3.06Å; F429-R434 HydrophobicContact CD2-CG 4.24Å; F429-R434 HydrophobicContact CE2-CB 4.02Å; F429-R434 HydrophobicContact CE2-CG 3.84Å; R434-E445 VanDerWaalsContact CD-OE1 3.3Å; R434-E445 WeakPolarHBondContact CD-OE1 2.95Å; R434-E445 IonicContact NE-OE1 2.75Å |
| 435 | V | 96 | Very high | 93.3 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 6% | 0.055 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 127.4 | -179.5 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | T424 V426 E445 T446 L448 | T424-V435 HydrophobicContact CG2-CG1 3.22Å; V426-V435 HydrophobicContact CG2-CG1 4.36Å; V426-V435 HydrophobicContact CG2-CG2 4.27Å; V435-E445 WeakPolarHBondContact O-CA 3.22Å; V435-T446 HydrophobicContact CB-CG2 4.25Å; V435-T446 WeakPolarHBondContact CB-O 3.31Å; V435-T446 HydrophobicContact CG1-CG2 3.79Å; V435-T446 PolarHBondContact O-N 3.12Å; V435-L448 HydrophobicContact CG1-CB 4.42Å; V435-L448 HydrophobicContact CG2-CB 4.15Å |
| 436 | L | 95.3 | Very high | 93.2 | Very high | 14 Ų | 14 | 55 Ų | 55 | 7% | 0.073 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 131 | 174.8 | -56.9 | -178.4 | 0 | 0 | 0 | 109.1 | L404 T424 L425 L427 V443 E444 E445 L699 | L404-L436 HydrophobicContact CD1-CD1 4.27Å; T424-L436 CarbonylContact C-O 3.55Å; T424-L436 VanDerWaalsContact CA-O 3.27Å; T424-L436 WeakPolarHBondContact CA-O 3.41Å; L425-L436 HydrophobicContact CB-CB 4.38Å; L425-L436 PolarHBondContact N-O 3.26Å; L425-L436 PolarHBondContact O-N 2.57Å; L427-L436 HydrophobicContact CD1-CD1 3.49Å; L427-L436 VanDerWaalsContact CD1-CD1 3.49Å; L427-L436 HydrophobicContact CD1-CD2 4.47Å; L427-L436 HydrophobicContact CD1-CG 3.8Å; L427-L436 HydrophobicContact CG-CD1 4.37Å; L436-V443 HydrophobicContact CB-CG1 3.84Å; L436-V443 HydrophobicContact CD1-CG1 3.7Å; 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 3.36Å; L436-E445 HydrophobicContact CD2-CB 4.02Å; L436-E445 HydrophobicContact CD2-CG 4.35Å; L436-L699 HydrophobicContact CD1-CD2 4.31Å |
| 437 | M | 94.1 | Very high | 92.8 | Very high | 71 Ų | 71 | 62.9 Ų | 62.9 | 35% | 0.35 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 135.6 | 170.8 | -170.9 | 173.1 | 66.6 | 0 | 0 | 109.2 | E444 T446 | M437-E444 WeakPolarHBondContact CE-OE2 3.43Å; M437-E444 PolarHBondContact N-O 2.99Å; M437-E444 PolarHBondContact O-N 3.13Å; M437-T446 HydrophobicContact CB-CG2 3.93Å |
| 438 | L | 92.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 112.4 | 179.3 | -56.3 | 175.1 | 0 | 0 | 0 | 108.8 | D423 V443 L682 | D423-L438 PolarHBondContact O-N 2.84Å; L438-V443 HydrophobicContact CD2-CB 4.42Å; L438-V443 HydrophobicContact CD2-CG1 4.07Å; L438-V443 HydrophobicContact CD2-CG2 3.81Å; L438-L682 HydrophobicContact CD1-CD1 3.53Å; L438-L682 HydrophobicContact CD1-CD2 4.12Å; L438-L682 HydrophobicContact CD1-CG 4.34Å |
| 439 | N | 88.8 | Confident | 92.1 | Very high | 88 Ų | 88 | 70.1 Ų | 70.1 | 47% | 0.471 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 87 | 178.7 | -171.6 | 35.2 | 0 | 0 | 0 | 110 | E441 E442 | N439-E441 PolarHBondContact O-N 3.43Å; N439-E442 PolarHBondContact N-O 3.19Å; N439-E442 PolarHBondContact O-N 2.99Å |
| 440 | G | 86.6 | Confident | 91.8 | Very high | 30 Ų | 30 | 70.5 Ų | 70.5 | 31% | 0.309 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | -131 | -165.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | E442 G686 | G440-E442 VanDerWaalsContact C-N 3.31Å; G440-G686 VanDerWaalsContact C-CA 3.5Å; G440-G686 WeakPolarHBondContact O-CA 3.47Å |
| 441 | E | 85.3 | Confident | 91.9 | Very high | 153 Ų | 153 | 66.4 Ų | 66.4 | 72% | 0.715 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -6.1 | 176.5 | -63.6 | 177.8 | -179.6 | 0 | 0 | 113 | N439 Y687 | N439-E441 PolarHBondContact O-N 3.43Å; E441-Y687 PolarHBondContact O-OH 2.86Å |
| 442 | E | 88.5 | Confident | 92 | Very high | 125 Ų | 125 | 65.5 Ų | 65.5 | 58% | 0.584 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 136.5 | 177.7 | -65.8 | -175.9 | 166.4 | 0 | 0 | 111.2 | N439 G440 | N439-E442 PolarHBondContact N-O 3.19Å; N439-E442 PolarHBondContact O-N 2.99Å; G440-E442 VanDerWaalsContact C-N 3.31Å |
| 443 | V | 90.2 | Very high | 92 | Very high | 44 Ų | 44 | 66.8 Ų | 66.8 | 27% | 0.267 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 116.4 | -178.8 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | I402 L436 L438 Y687 | I402-V443 HydrophobicContact CD1-CB 4.2Å; I402-V443 HydrophobicContact CD1-CG1 4.05Å; I402-V443 HydrophobicContact CD1-CG2 4.25Å; L436-V443 HydrophobicContact CB-CG1 3.84Å; L436-V443 HydrophobicContact CD1-CG1 3.7Å; L436-V443 HydrophobicContact CG-CG1 4.23Å; L438-V443 HydrophobicContact CD2-CB 4.42Å; L438-V443 HydrophobicContact CD2-CG1 4.07Å; L438-V443 HydrophobicContact CD2-CG2 3.81Å; V443-Y687 HydrophobicContact CG2-CE2 4.3Å |
| 444 | E | 92.3 | Very high | 91.9 | Very high | 95 Ų | 95 | 71.6 Ų | 71.6 | 44% | 0.444 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 140.7 | -175.8 | -64.1 | -172.1 | 155.8 | 0 | 0 | 112.3 | L436 M437 | L436-E444 CarbonylContact C-O 3.57Å; L436-E444 VanDerWaalsContact CA-O 3.25Å; L436-E444 WeakPolarHBondContact CA-O 3.36Å; M437-E444 WeakPolarHBondContact CE-OE2 3.43Å; M437-E444 PolarHBondContact N-O 2.99Å; M437-E444 PolarHBondContact O-N 3.13Å |
| 445 | E | 92.6 | Very high | 91.9 | Very high | 126 Ų | 126 | 70 Ų | 70 | 59% | 0.589 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 132 | 174.5 | -170.6 | 168.6 | -172.1 | 0 | 0 | 111.3 | R434 V435 L436 | R434-E445 VanDerWaalsContact CD-OE1 3.3Å; R434-E445 WeakPolarHBondContact CD-OE1 2.95Å; R434-E445 IonicContact NE-OE1 2.75Å; V435-E445 WeakPolarHBondContact O-CA 3.22Å; L436-E445 HydrophobicContact CD2-CB 4.02Å; L436-E445 HydrophobicContact CD2-CG 4.35Å |
| 446 | T | 93.5 | Very high | 91.9 | Very high | 60 Ų | 60 | 72.2 Ų | 72.2 | 37% | 0.368 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 172.4 | -177.2 | -164.6 | 0 | 0 | 0 | 0 | 111.7 | V435 M437 | V435-T446 HydrophobicContact CB-CG2 4.25Å; V435-T446 WeakPolarHBondContact CB-O 3.31Å; V435-T446 HydrophobicContact CG1-CG2 3.79Å; V435-T446 PolarHBondContact O-N 3.12Å; M437-T446 HydrophobicContact CB-CG2 3.93Å |
| 447 | E | 89.9 | Confident | 92 | Very high | 165 Ų | 165 | 71.6 Ų | 71.6 | 77% | 0.771 | 37% | 0.369 | S | S | * | . | trans | -112.4 | 132.9 | 175.1 | -69 | 178.9 | -171.5 | 0 | 0 | 110.3 | ||||
| 448 | L | 90.2 | Very high | 92.1 | Very high | 15 Ų | 15 | 71 Ų | 71 | 8% | 0.079 | 37% | 0.365 | C | S | . | . | trans | -101 | 107.4 | 176.1 | -168.3 | 69.8 | 0 | 0 | 0 | 110.1 | L413 V435 G450 F451 L468 K484 | L413-L448 HydrophobicContact CD1-CD2 3.91Å; V435-L448 HydrophobicContact CG1-CB 4.42Å; V435-L448 HydrophobicContact CG2-CB 4.15Å; L448-G450 PolarHBondContact O-N 2.83Å; L448-F451 HydrophobicContact CB-CB 4.42Å; L448-F451 HydrophobicContact CB-CG 4.45Å; L448-F451 HydrophobicContact CD2-CD1 4.01Å; L448-F451 HydrophobicContact CD2-CD2 3.61Å; L448-F451 HydrophobicContact CD2-CE1 3.97Å; L448-F451 HydrophobicContact CD2-CE2 3.6Å; L448-F451 HydrophobicContact CD2-CG 3.85Å; L448-F451 HydrophobicContact CD2-CZ 3.78Å; L448-F451 HydrophobicContact CG-CD2 4.18Å; L448-F451 HydrophobicContact CG-CG 4.4Å; L448-F451 WeakPolarHBondContact O-CB 3.19Å; L448-F451 PolarHBondContact O-N 3.04Å; L448-L468 HydrophobicContact CD1-CD1 4.42Å; L448-L468 HydrophobicContact CD2-CD1 3.91Å; L448-K484 HydrophobicContact CD1-CD 4.11Å | ||
| 449 | M | 89.2 | Confident | 92.3 | Very high | 137 Ų | 137 | 72.8 Ų | 72.8 | 68% | 0.675 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 136.8 | -179.1 | -59.2 | -161.8 | 84 | 0 | 0 | 111.6 | F451 V479 K484 | M449-F451 VanDerWaalsContact C-N 3.34Å; M449-F451 PolarHBondContact O-N 3.18Å; M449-V479 WeakPolarHBondContact O-CG1 3.32Å; M449-K484 CarbonylContact C-O 3.3Å; M449-K484 HydrophobicContact CB-CB 3.89Å; M449-K484 WeakPolarHBondContact CB-O 3.45Å |
| 450 | G | 89.3 | Confident | 92.7 | Very high | 20 Ų | 20 | 68.6 Ų | 68.6 | 21% | 0.206 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | -26.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L448 R477 | L448-G450 PolarHBondContact O-N 2.83Å; G450-R477 PolarHBondContact O-NE 3.12Å; G450-R477 PolarHBondContact O-NH2 3.43Å; G450-R477 VanDerWaalsContact O-NH2 3.12Å |
| 451 | F | 94.6 | Very high | 93.2 | Very high | 25 Ų | 25 | 67.7 Ų | 67.7 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -75.4 | 159.4 | 169.9 | -82.4 | -136.2 | 0 | 0 | 0 | 110.5 | L413 L448 M449 C460 L468 Q470 V479 | L413-F451 HydrophobicContact CD1-CE1 4.22Å; L413-F451 HydrophobicContact CD1-CZ 4.07Å; L448-F451 HydrophobicContact CB-CB 4.42Å; L448-F451 HydrophobicContact CB-CG 4.45Å; L448-F451 HydrophobicContact CD2-CD1 4.01Å; L448-F451 HydrophobicContact CD2-CD2 3.61Å; L448-F451 HydrophobicContact CD2-CE1 3.97Å; L448-F451 HydrophobicContact CD2-CE2 3.6Å; L448-F451 HydrophobicContact CD2-CG 3.85Å; L448-F451 HydrophobicContact CD2-CZ 3.78Å; L448-F451 HydrophobicContact CG-CD2 4.18Å; L448-F451 HydrophobicContact CG-CG 4.4Å; L448-F451 WeakPolarHBondContact O-CB 3.19Å; L448-F451 PolarHBondContact O-N 3.04Å; M449-F451 VanDerWaalsContact C-N 3.34Å; M449-F451 PolarHBondContact O-N 3.18Å; F451-C460 HydrophobicContact CE1-CB 3.75Å; F451-C460 HydrophobicContact CZ-CB 4.08Å; F451-L468 HydrophobicContact CE2-CB 3.92Å; F451-L468 HydrophobicContact CE2-CD1 4.42Å; F451-L468 HydrophobicContact CZ-CB 4.24Å; F451-Q470 VanDerWaalsContact CA-OE1 3.29Å; F451-Q470 HydrophobicContact CD1-CB 3.87Å; F451-Q470 HydrophobicContact CD1-CG 3.75Å; F451-Q470 HydrophobicContact CD2-CB 4.24Å; F451-Q470 HydrophobicContact CE1-CB 3.73Å; F451-Q470 HydrophobicContact CE1-CG 3.87Å; F451-Q470 HydrophobicContact CE2-CB 4.09Å; F451-Q470 HydrophobicContact CG-CB 4.12Å; F451-Q470 HydrophobicContact CG-CG 4.29Å; F451-Q470 HydrophobicContact CZ-CB 3.84Å; F451-Q470 HydrophobicContact CZ-CG 4.48Å; F451-V479 HydrophobicContact CD2-CG2 3.99Å; F451-V479 HydrophobicContact CE2-CB 4.38Å; F451-V479 HydrophobicContact CE2-CG2 4.15Å |
| 452 | V | 95.1 | Very high | 93.7 | Very high | 25 Ų | 25 | 62.3 Ų | 62.3 | 15% | 0.152 | 32% | 0.317 | C | S | . | . | trans | -108.3 | 123.4 | 174.2 | 176.7 | 0 | 0 | 0 | 0 | 107.9 | D454 Q455 Q470 | V452-D454 WeakPolarHBondContact CG1-OD1 3.46Å; V452-Q455 HydrophobicContact CG1-CB 4.15Å; V452-Q455 HydrophobicContact CG1-CG 4Å; V452-Q470 PolarHBondContact O-NE2 3.5Å | ||
| 453 | D | 94.5 | Very high | 94 | Very high | 101 Ų | 101 | 57 Ų | 57 | 54% | 0.54 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -93.5 | -21.7 | -176.5 | 61.4 | -18.6 | 0 | 0 | 0 | 112.9 | Q432 T433 Q455 | Q432-D453 CarbonylContact C-O 3.3Å; Q432-D453 WeakPolarHBondContact CA-O 3.44Å; T433-D453 PolarHBondContact N-O 3.21Å; D453-Q455 VanDerWaalsContact C-N 3.31Å; D453-Q455 PolarHBondContact O-N 2.85Å |
| 454 | D | 95.7 | Very high | 94.1 | Very high | 109 Ų | 109 | 56.3 Ų | 56.3 | 58% | 0.583 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -88.8 | 14.1 | -179.5 | 76.8 | -17 | 0 | 0 | 0 | 114.6 | G431 V452 | G431-D454 CarbonylContact O-C 3.54Å; V452-D454 WeakPolarHBondContact CG1-OD1 3.46Å |
| 455 | Q | 95.4 | Very high | 94.2 | Very high | 54 Ų | 54 | 56.4 Ų | 56.4 | 25% | 0.252 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -134 | 154.6 | 176.8 | -66.6 | -170.7 | 29.2 | 0 | 0 | 112.1 | Q432 T433 V452 D453 T457 T472 A474 | Q432-Q455 CarbonylContact C-O 3.58Å; Q432-Q455 VanDerWaalsContact C-O 3.3Å; T433-Q455 PolarHBondContact N-O 3.48Å; T433-Q455 PolarHBondContact OG1-O 3.2Å; V452-Q455 HydrophobicContact CG1-CB 4.15Å; V452-Q455 HydrophobicContact CG1-CG 4Å; D453-Q455 VanDerWaalsContact C-N 3.31Å; D453-Q455 PolarHBondContact O-N 2.85Å; Q455-T457 PolarHBondContact O-N 2.89Å; Q455-T472 HydrophobicContact CB-CG2 4.1Å; Q455-T472 PolarHBondContact OE1-OG1 2.99Å; Q455-A474 VanDerWaalsContact OE1-CB 3.28Å |
| 456 | Q | 96.7 | Very high | 94.2 | Very high | 55 Ų | 55 | 56.5 Ų | 56.5 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | trans | -71.2 | 123.3 | 172 | -175.2 | 174.3 | -15.4 | 0 | 0 | 109.9 | S428 F429 F458 | S428-Q456 VanDerWaalsContact OG-CG 3.28Å; S428-Q456 WeakPolarHBondContact OG-CG 3.17Å; F429-Q456 WeakPolarHBondContact O-CB 3.5Å; F429-Q456 VanDerWaalsContact O-CG 3.3Å; F429-Q456 WeakPolarHBondContact O-CG 3.13Å; Q456-F458 HydrophobicContact CB-CE1 4.44Å; Q456-F458 HydrophobicContact CG-CD1 4.18Å; Q456-F458 HydrophobicContact CG-CE1 4.06Å | ||
| 457 | T | 97.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 126.5 | 171 | -63.6 | 0 | 0 | 0 | 0 | 109.8 | W411 S428 T433 Q455 F459 C460 Q470 | W411-T457 HydrophobicContact CH2-CG2 4.49Å; W411-T457 HydrophobicContact CZ3-CG2 4.13Å; S428-T457 WeakPolarHBondContact CB-O 3.37Å; S428-T457 PolarHBondContact OG-N 3.1Å; S428-T457 VanDerWaalsContact OG-N 3.11Å; S428-T457 PolarHBondContact OG-O 3.24Å; T433-T457 WeakPolarHBondContact CG2-OG1 3.4Å; T433-T457 WeakPolarHBondContact OG1-CB 3.26Å; T433-T457 PolarHBondContact OG1-N 3.28Å; T433-T457 PolarHBondContact OG1-OG1 3.49Å; Q455-T457 PolarHBondContact O-N 2.89Å; T457-F459 WeakPolarHBondContact CG2-O 3.37Å; T457-C460 HydrophobicContact CG2-CB 3.95Å; T457-Q470 HydrophobicContact CG2-CG 3.98Å; T457-Q470 PolarHBondContact OG1-NE2 3.12Å |
| 458 | F | 96 | Very high | 94.6 | Very high | 60 Ų | 60 | 46 Ų | 46 | 26% | 0.263 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -28.6 | 173.9 | -69.4 | -10.8 | 0 | 0 | 0 | 112.9 | W411 Q456 I471 I498 | W411-F458 VanDerWaalsContact CZ2-O 3.22Å; W411-F458 WeakPolarHBondContact CZ2-O 3.44Å; Q456-F458 HydrophobicContact CB-CE1 4.44Å; Q456-F458 HydrophobicContact CG-CD1 4.18Å; Q456-F458 HydrophobicContact CG-CE1 4.06Å; F458-I471 PolarHBondContact N-O 3.2Å; F458-I498 HydrophobicContact CD2-CG2 4.23Å; F458-I498 VanDerWaalsContact CE2-O 3.31Å; F458-I498 WeakPolarHBondContact CE2-O 3.49Å |
| 459 | F | 97.1 | Very high | 95 | Very high | 40 Ų | 40 | 45.3 Ų | 45.3 | 18% | 0.175 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 141.1 | 172.5 | -179.4 | -84.3 | 0 | 0 | 0 | 109.4 | W411 T457 I469 I471 C503 | W411-F459 AromaticContact NE1-CD2 3.9Å; T457-F459 WeakPolarHBondContact CG2-O 3.37Å; F459-I469 HydrophobicContact CD1-CG2 3.99Å; F459-I469 HydrophobicContact CE1-CG2 3.79Å; F459-I471 HydrophobicContact CB-CB 4.24Å; F459-I471 HydrophobicContact CB-CD1 4.13Å; F459-I471 HydrophobicContact CB-CG1 4.27Å; F459-I471 HydrophobicContact CD1-CD1 4.28Å; F459-I471 PolarHBondContact N-O 3.34Å; F459-I471 PolarHBondContact O-N 2.98Å; F459-C503 HydrophobicContact CD1-CB 3.53Å; F459-C503 HydrophobicContact CD2-CB 4.41Å; F459-C503 HydrophobicContact CE1-CB 3.35Å; F459-C503 HydrophobicContact CE2-CB 4.22Å; F459-C503 HydrophobicContact CG-CB 4.09Å; F459-C503 HydrophobicContact CZ-CB 3.71Å; F459-C503 WeakPolarHBondContact CZ-O 3.31Å |
| 460 | C | 97.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 159.1 | 160.1 | 66.5 | 0 | 0 | 0 | 0 | 110.7 | W411 F451 T457 I469 | W411-C460 VanDerWaalsContact CB-SG 3.58Å; F451-C460 HydrophobicContact CE1-CB 3.75Å; F451-C460 HydrophobicContact CZ-CB 4.08Å; T457-C460 HydrophobicContact CG2-CB 3.95Å; C460-I469 WeakPolarHBondContact CA-O 3.17Å; C460-I469 WeakPolarHBondContact CB-O 3.48Å |
| 461 | G | 96.4 | Very high | 95.8 | Very high | 10 Ų | 10 | 37.9 Ų | 37.9 | 10% | 0.103 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.2 | 164.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L413 L468 I469 | L413-G461 VanDerWaalsContact CD2-C 3.42Å; G461-L468 WeakPolarHBondContact O-CA 3.44Å; G461-I469 PolarHBondContact N-O 2.81Å; G461-I469 PolarHBondContact O-N 2.76Å |
| 462 | N | 95.7 | Very high | 95.9 | Very high | 41 Ų | 41 | 36.7 Ų | 36.7 | 22% | 0.219 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 129.1 | 163.9 | -65.5 | 87.2 | 0 | 0 | 0 | 110.1 | L413 R414 L468 Q481 | L413-N462 WeakPolarHBondContact CA-OD1 3.01Å; R414-N462 PolarHBondContact N-OD1 2.79Å; R414-N462 PolarHBondContact O-ND2 3.12Å; N462-L468 HydrophobicContact CB-CD2 4.46Å; N462-L468 WeakPolarHBondContact ND2-CD2 3.37Å; N462-Q481 PolarHBondContact ND2-NE2 3.24Å |
| 463 | V | 95.5 | Very high | 96 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 9% | 0.085 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 175.1 | 178.4 | -61.5 | 0 | 0 | 0 | 0 | 110.6 | Q467 I469 L478 S505 I521 | V463-Q467 HydrophobicContact CG2-CB 3.79Å; V463-Q467 VanDerWaalsContact CG2-O 3.32Å; V463-Q467 WeakPolarHBondContact CG2-O 3.27Å; V463-Q467 PolarHBondContact N-O 2.84Å; V463-I469 HydrophobicContact CG1-CB 3.93Å; V463-I469 HydrophobicContact CG1-CG2 3.57Å; V463-I469 HydrophobicContact CG2-CB 4.32Å; V463-L478 HydrophobicContact CG2-CD1 3.89Å; V463-S505 WeakPolarHBondContact CB-O 3.29Å; V463-I521 HydrophobicContact CB-CD1 3.74Å; V463-I521 HydrophobicContact CG1-CD1 3.68Å; V463-I521 HydrophobicContact CG2-CD1 4.1Å; V463-I521 HydrophobicContact CG2-CG2 4.17Å |
| 464 | A | 92.8 | Very high | 96 | Very high | 29 Ų | 29 | 34 Ų | 34 | 24% | 0.24 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 158.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S505 | A464-S505 VanDerWaalsContact CB-O 3.28Å; A464-S505 WeakPolarHBondContact CB-O 3.46Å; A464-S505 PolarHBondContact N-O 2.84Å |
| 465 | H | 92.9 | Very high | 96.1 | Very high | 97 Ų | 97 | 28.9 Ų | 28.9 | 45% | 0.449 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 30.5 | 176 | -44.9 | -60.6 | 0 | 0 | 0 | 115.3 | Q467 | H465-Q467 VanDerWaalsContact C-N 3.32Å; H465-Q467 HydrophobicContact CB-CG 4.46Å; H465-Q467 VanDerWaalsContact CB-OE1 3.31Å; H465-Q467 WeakPolarHBondContact O-CG 3.17Å; H465-Q467 PolarHBondContact O-N 2.92Å |
| 466 | Q | 93.2 | Very high | 96.2 | Very high | 128 Ų | 128 | 26.3 Ų | 26.3 | 60% | 0.598 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 47.3 | -179.4 | -64.5 | 170.1 | 89.6 | 0 | 0 | 111.8 | P417 Q481 | P417-Q466 HydrophobicContact CB-CG 4.37Å; Q466-Q481 VanDerWaalsContact C-OE1 3.24Å; Q466-Q481 VanDerWaalsContact CB-OE1 3.27Å; Q466-Q481 WeakPolarHBondContact O-CB 3.21Å; Q466-Q481 WeakPolarHBondContact O-CG 3.43Å; Q466-Q481 PolarHBondContact O-N 2.83Å |
| 467 | Q | 95.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.019 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 155.1 | -176.6 | -71.2 | 162 | -149.6 | 0 | 0 | 109.5 | V463 H465 L478 V479 H522 | V463-Q467 HydrophobicContact CG2-CB 3.79Å; V463-Q467 VanDerWaalsContact CG2-O 3.32Å; V463-Q467 WeakPolarHBondContact CG2-O 3.27Å; V463-Q467 PolarHBondContact N-O 2.84Å; H465-Q467 VanDerWaalsContact C-N 3.32Å; H465-Q467 HydrophobicContact CB-CG 4.46Å; H465-Q467 VanDerWaalsContact CB-OE1 3.31Å; H465-Q467 WeakPolarHBondContact O-CG 3.17Å; H465-Q467 PolarHBondContact O-N 2.92Å; Q467-L478 HydrophobicContact CB-CD1 4.09Å; Q467-L478 VanDerWaalsContact NE2-CG 3.28Å; Q467-V479 CarbonylContact C-O 3.6Å; Q467-V479 VanDerWaalsContact CA-O 3.25Å; Q467-V479 WeakPolarHBondContact CA-O 3.36Å; Q467-V479 WeakPolarHBondContact CB-O 3.22Å; Q467-H522 PolarHBondContact NE2-O 2.77Å |
| 468 | L | 96.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 152.6 | 171.6 | -53.5 | 178.7 | 0 | 0 | 0 | 108.2 | L413 L448 F451 G461 N462 V479 Q481 | L413-L468 HydrophobicContact CD2-CD2 4.46Å; L448-L468 HydrophobicContact CD1-CD1 4.42Å; L448-L468 HydrophobicContact CD2-CD1 3.91Å; F451-L468 HydrophobicContact CE2-CB 3.92Å; F451-L468 HydrophobicContact CE2-CD1 4.42Å; F451-L468 HydrophobicContact CZ-CB 4.24Å; G461-L468 WeakPolarHBondContact O-CA 3.44Å; N462-L468 HydrophobicContact CB-CD2 4.46Å; N462-L468 WeakPolarHBondContact ND2-CD2 3.37Å; L468-V479 HydrophobicContact CB-CB 4.39Å; L468-V479 PolarHBondContact N-O 3.01Å; L468-V479 PolarHBondContact O-N 3.14Å; L468-Q481 HydrophobicContact CD1-CG 4.39Å; L468-Q481 HydrophobicContact CD2-CG 3.87Å; L468-Q481 HydrophobicContact CG-CG 3.82Å |
| 469 | I | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 141.8 | 174.2 | -157.8 | 170 | 0 | 0 | 0 | 110.3 | F459 C460 G461 V463 I471 V476 R477 V508 I521 L526 | F459-I469 HydrophobicContact CD1-CG2 3.99Å; F459-I469 HydrophobicContact CE1-CG2 3.79Å; C460-I469 WeakPolarHBondContact CA-O 3.17Å; C460-I469 WeakPolarHBondContact CB-O 3.48Å; G461-I469 PolarHBondContact N-O 2.81Å; G461-I469 PolarHBondContact O-N 2.76Å; V463-I469 HydrophobicContact CG1-CB 3.93Å; V463-I469 HydrophobicContact CG1-CG2 3.57Å; V463-I469 HydrophobicContact CG2-CB 4.32Å; I469-I471 HydrophobicContact CG1-CG1 4.47Å; I469-V476 HydrophobicContact CD1-CG1 3.73Å; I469-V476 HydrophobicContact CG1-CG1 4.08Å; I469-R477 CarbonylContact C-O 3.57Å; I469-R477 WeakPolarHBondContact CA-O 3.5Å; I469-R477 WeakPolarHBondContact CG1-O 3.28Å; I469-V508 HydrophobicContact CD1-CG2 3.41Å; I469-V508 VanDerWaalsContact CD1-CG2 3.41Å; I469-I521 HydrophobicContact CD1-CD1 4.04Å; I469-L526 HydrophobicContact CD1-CD2 4.48Å |
| 470 | Q | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 126.8 | 168.9 | -169.4 | -166.5 | 22.1 | 0 | 0 | 108.6 | F451 V452 T457 T472 R477 | F451-Q470 VanDerWaalsContact CA-OE1 3.29Å; F451-Q470 HydrophobicContact CD1-CB 3.87Å; F451-Q470 HydrophobicContact CD1-CG 3.75Å; F451-Q470 HydrophobicContact CD2-CB 4.24Å; F451-Q470 HydrophobicContact CE1-CB 3.73Å; F451-Q470 HydrophobicContact CE1-CG 3.87Å; F451-Q470 HydrophobicContact CE2-CB 4.09Å; F451-Q470 HydrophobicContact CG-CB 4.12Å; F451-Q470 HydrophobicContact CG-CG 4.29Å; F451-Q470 HydrophobicContact CZ-CB 3.84Å; F451-Q470 HydrophobicContact CZ-CG 4.48Å; V452-Q470 PolarHBondContact O-NE2 3.5Å; T457-Q470 HydrophobicContact CG2-CG 3.98Å; T457-Q470 PolarHBondContact OG1-NE2 3.12Å; Q470-T472 HydrophobicContact CG-CG2 4.22Å; Q470-R477 HydrophobicContact CB-CB 4.45Å; Q470-R477 PolarHBondContact N-O 2.85Å; Q470-R477 PolarHBondContact O-N 2.88Å |
| 471 | I | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.5 | 175 | -49.7 | -176.2 | 0 | 0 | 0 | 107.8 | F458 F459 I469 V476 I498 A501 C503 V508 V510 | F458-I471 PolarHBondContact N-O 3.2Å; F459-I471 HydrophobicContact CB-CB 4.24Å; F459-I471 HydrophobicContact CB-CD1 4.13Å; F459-I471 HydrophobicContact CB-CG1 4.27Å; F459-I471 HydrophobicContact CD1-CD1 4.28Å; F459-I471 PolarHBondContact N-O 3.34Å; F459-I471 PolarHBondContact O-N 2.98Å; I469-I471 HydrophobicContact CG1-CG1 4.47Å; I471-V476 HydrophobicContact CD1-CG2 4.47Å; I471-V476 HydrophobicContact CG1-CG1 4.18Å; I471-V476 HydrophobicContact CG1-CG2 4.29Å; I471-V476 HydrophobicContact CG2-CG2 4.02Å; I471-I498 HydrophobicContact CG2-CD1 4.11Å; I471-I498 HydrophobicContact CG2-CG2 4.43Å; I471-A501 HydrophobicContact CB-CB 4.25Å; I471-A501 HydrophobicContact CD1-CB 3.84Å; I471-A501 HydrophobicContact CG2-CB 3.64Å; I471-C503 HydrophobicContact CD1-CB 4.21Å; I471-V508 HydrophobicContact CD1-CG1 3.56Å; I471-V510 HydrophobicContact CD1-CG1 4.47Å; I471-V510 HydrophobicContact CG2-CG1 4.22Å |
| 472 | T | 97.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 177.9 | 177 | 59.7 | 0 | 0 | 0 | 0 | 109.1 | Q455 Q470 A474 S475 I498 | Q455-T472 HydrophobicContact CB-CG2 4.1Å; Q455-T472 PolarHBondContact OE1-OG1 2.99Å; Q470-T472 HydrophobicContact CG-CG2 4.22Å; T472-A474 PolarHBondContact O-N 2.82Å; T472-A474 PolarHBondContact OG1-N 2.87Å; T472-S475 PolarHBondContact N-O 3.22Å; T472-S475 PolarHBondContact OG1-N 3.36Å; T472-S475 PolarHBondContact OG1-O 2.95Å; T472-S475 VanDerWaalsContact OG1-O 3.12Å; T472-I498 WeakPolarHBondContact O-CD1 3.46Å |
| 473 | S | 95.6 | Very high | 95 | Very high | 33 Ų | 33 | 31.6 Ų | 31.6 | 23% | 0.231 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -61.7 | -28.2 | 169.9 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | N497 I498 | S473-N497 CarbonylContact O-C 3.59Å; S473-N497 WeakPolarHBondContact O-CA 3.43Å; S473-I498 PolarHBondContact O-N 3.31Å |
| 474 | A | 95.7 | Very high | 94.6 | Very high | 35 Ų | 35 | 34.1 Ų | 34.1 | 29% | 0.289 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -89.4 | -32.9 | -174 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q455 T472 | Q455-A474 VanDerWaalsContact OE1-CB 3.28Å; T472-A474 PolarHBondContact O-N 2.82Å; T472-A474 PolarHBondContact OG1-N 2.87Å |
| 475 | S | 96.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | trans | -164 | 162.2 | -170.8 | 62.1 | 0 | 0 | 0 | 0 | 113.7 | T472 R477 E489 W490 | T472-S475 PolarHBondContact N-O 3.22Å; T472-S475 PolarHBondContact OG1-N 3.36Å; T472-S475 PolarHBondContact OG1-O 2.95Å; T472-S475 VanDerWaalsContact OG1-O 3.12Å; S475-R477 WeakPolarHBondContact OG-CG 3.36Å; S475-E489 PolarHBondContact OG-OE1 3.32Å; S475-W490 VanDerWaalsContact CA-O 3.3Å; S475-W490 WeakPolarHBondContact CA-O 3.34Å; S475-W490 VanDerWaalsContact CB-O 3.3Å; S475-W490 WeakPolarHBondContact CB-O 3.41Å | ||
| 476 | V | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 119.8 | 164 | 179.5 | 0 | 0 | 0 | 0 | 107.6 | I469 I471 E489 W490 I498 V508 V510 L519 L526 | I469-V476 HydrophobicContact CD1-CG1 3.73Å; I469-V476 HydrophobicContact CG1-CG1 4.08Å; I471-V476 HydrophobicContact CD1-CG2 4.47Å; I471-V476 HydrophobicContact CG1-CG1 4.18Å; I471-V476 HydrophobicContact CG1-CG2 4.29Å; I471-V476 HydrophobicContact CG2-CG2 4.02Å; V476-E489 CarbonylContact O-C 3.53Å; V476-E489 WeakPolarHBondContact O-CA 3.34Å; V476-W490 HydrophobicContact CB-CB 4.3Å; V476-W490 HydrophobicContact CB-CE3 4.35Å; V476-W490 HydrophobicContact CG2-CE3 3.86Å; V476-W490 HydrophobicContact CG2-CZ3 4.43Å; V476-W490 PolarHBondContact N-O 2.98Å; V476-W490 PolarHBondContact O-N 3.45Å; V476-I498 HydrophobicContact CG2-CD1 4Å; V476-V508 HydrophobicContact CG1-CG1 4.33Å; V476-V508 HydrophobicContact CG2-CG1 4.37Å; V476-V510 HydrophobicContact CG2-CG1 3.73Å; V476-L519 HydrophobicContact CB-CD1 4.2Å; V476-L519 HydrophobicContact CG1-CD1 4.23Å; V476-L519 HydrophobicContact CG2-CD1 4.01Å; V476-L526 HydrophobicContact CB-CD1 4.14Å; V476-L526 HydrophobicContact CG1-CD1 3.68Å; V476-L526 HydrophobicContact CG1-CD2 4.3Å; V476-L526 VanDerWaalsContact O-CD1 3.28Å; V476-L526 WeakPolarHBondContact O-CD1 3.23Å |
| 477 | R | 97.6 | Very high | 94.9 | Very high | 35 Ų | 35 | 29.2 Ų | 29.2 | 13% | 0.132 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 126.3 | -174.2 | -61.5 | 179.8 | 66.7 | 92.5 | -12 | 110.2 | G450 I469 Q470 S475 L486 E489 | G450-R477 PolarHBondContact O-NE 3.12Å; G450-R477 PolarHBondContact O-NH2 3.43Å; G450-R477 VanDerWaalsContact O-NH2 3.12Å; I469-R477 CarbonylContact C-O 3.57Å; I469-R477 WeakPolarHBondContact CA-O 3.5Å; I469-R477 WeakPolarHBondContact CG1-O 3.28Å; Q470-R477 HydrophobicContact CB-CB 4.45Å; Q470-R477 PolarHBondContact N-O 2.85Å; Q470-R477 PolarHBondContact O-N 2.88Å; S475-R477 WeakPolarHBondContact OG-CG 3.36Å; R477-L486 HydrophobicContact CB-CD1 3.75Å; R477-L486 HydrophobicContact CG-CD1 4.19Å; R477-E489 HydrophobicContact CG-CG 4.26Å; R477-E489 IonicContact NH1-OE1 2.67Å; R477-E489 PolarHBondContact NH1-OE1 2.87Å |
| 478 | L | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 124.2 | 177.6 | -167.7 | 63.1 | 0 | 0 | 0 | 108.6 | V463 Q467 V487 S488 I521 L526 | V463-L478 HydrophobicContact CG2-CD1 3.89Å; Q467-L478 HydrophobicContact CB-CD1 4.09Å; Q467-L478 VanDerWaalsContact NE2-CG 3.28Å; L478-V487 HydrophobicContact CB-CG2 4.14Å; L478-V487 HydrophobicContact CD2-CG2 4.26Å; L478-V487 HydrophobicContact CG-CG2 3.91Å; L478-V487 WeakPolarHBondContact O-CG2 3.23Å; L478-V487 PolarHBondContact O-N 2.77Å; L478-S488 PolarHBondContact N-O 2.76Å; L478-S488 PolarHBondContact O-N 2.83Å; L478-I521 HydrophobicContact CD1-CG2 3.94Å; L478-I521 HydrophobicContact CD2-CG2 4.33Å; L478-L526 HydrophobicContact CB-CD1 4.03Å; L478-L526 HydrophobicContact CB-CD2 4.26Å; L478-L526 HydrophobicContact CB-CG 3.94Å; L478-L526 HydrophobicContact CD1-CD2 4.39Å; L478-L526 HydrophobicContact CD2-CD2 3.98Å; L478-L526 HydrophobicContact CD2-CG 3.89Å; L478-L526 HydrophobicContact CG-CD2 4.48Å; L478-L526 HydrophobicContact CG-CG 4.49Å |
| 479 | V | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 132.9 | -173.2 | 180 | 0 | 0 | 0 | 0 | 108.2 | M449 F451 Q467 L468 A485 L486 | M449-V479 WeakPolarHBondContact O-CG1 3.32Å; F451-V479 HydrophobicContact CD2-CG2 3.99Å; F451-V479 HydrophobicContact CE2-CB 4.38Å; F451-V479 HydrophobicContact CE2-CG2 4.15Å; Q467-V479 CarbonylContact C-O 3.6Å; Q467-V479 VanDerWaalsContact CA-O 3.25Å; Q467-V479 WeakPolarHBondContact CA-O 3.36Å; Q467-V479 WeakPolarHBondContact CB-O 3.22Å; L468-V479 HydrophobicContact CB-CB 4.39Å; L468-V479 PolarHBondContact N-O 3.01Å; L468-V479 PolarHBondContact O-N 3.14Å; V479-A485 CarbonylContact C-O 3.56Å; V479-A485 VanDerWaalsContact CA-O 3.31Å; V479-A485 WeakPolarHBondContact CA-O 3.02Å; V479-L486 HydrophobicContact CG2-CD1 4.34Å |
| 480 | S | 94 | Very high | 95 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 6% | 0.063 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 143.3 | 172.7 | 65.4 | 0 | 0 | 0 | 0 | 110.3 | E482 K484 A485 | S480-E482 WeakPolarHBondContact CB-O 3.1Å; S480-E482 PolarHBondContact O-N 3.07Å; S480-E482 PolarHBondContact OG-O 3.14Å; S480-K484 WeakPolarHBondContact O-CA 3.34Å; S480-K484 PolarHBondContact O-N 3.02Å; S480-K484 VanDerWaalsContact O-N 3.16Å; S480-A485 PolarHBondContact N-O 2.98Å |
| 481 | Q | 91.2 | Very high | 94.9 | Very high | 17 Ų | 17 | 39.7 Ų | 39.7 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -29.9 | 174.3 | -74.3 | 176.2 | -58.1 | 0 | 0 | 111.9 | R414 N462 Q466 L468 K484 | R414-Q481 PolarHBondContact O-NE2 2.82Å; N462-Q481 PolarHBondContact ND2-NE2 3.24Å; Q466-Q481 VanDerWaalsContact C-OE1 3.24Å; Q466-Q481 VanDerWaalsContact CB-OE1 3.27Å; Q466-Q481 WeakPolarHBondContact O-CB 3.21Å; Q466-Q481 WeakPolarHBondContact O-CG 3.43Å; Q466-Q481 PolarHBondContact O-N 2.83Å; L468-Q481 HydrophobicContact CD1-CG 4.39Å; L468-Q481 HydrophobicContact CD2-CG 3.87Å; L468-Q481 HydrophobicContact CG-CG 3.82Å; Q481-K484 WeakPolarHBondContact O-CG 3.37Å; Q481-K484 PolarHBondContact O-N 2.94Å |
| 482 | E | 87.8 | Confident | 94.8 | Very high | 155 Ų | 155 | 40.2 Ų | 40.2 | 72% | 0.724 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -128 | 123.1 | 172.9 | -164.1 | 174.9 | -175.8 | 0 | 0 | 108.8 | S480 | S480-E482 WeakPolarHBondContact CB-O 3.1Å; S480-E482 PolarHBondContact O-N 3.07Å; S480-E482 PolarHBondContact OG-O 3.14Å |
| 483 | P | 86.1 | Confident | 94.5 | Very high | 102 Ų | 102 | 44.9 Ų | 44.9 | 66% | 0.662 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -91.8 | 35.9 | 1.2 | 38.8 | -35.9 | 0 | 0 | 0 | 113.9 | A485 | P483-A485 HydrophobicContact CG-CB 4.15Š|
| 484 | K | 88.5 | Confident | 94.3 | Very high | 68 Ų | 68 | 49.5 Ų | 49.5 | 30% | 0.296 | 27% | 0.265 | S | S | . | . | trans | 63.8 | 44.4 | -173.6 | -54 | -176.3 | 178.5 | -175 | 0 | 112.6 | S415 L448 M449 S480 Q481 | S415-K484 PolarHBondContact OG-NZ 2.82Å; L448-K484 HydrophobicContact CD1-CD 4.11Å; M449-K484 CarbonylContact C-O 3.3Å; M449-K484 HydrophobicContact CB-CB 3.89Å; M449-K484 WeakPolarHBondContact CB-O 3.45Å; S480-K484 WeakPolarHBondContact O-CA 3.34Å; S480-K484 PolarHBondContact O-N 3.02Å; S480-K484 VanDerWaalsContact O-N 3.16Å; Q481-K484 WeakPolarHBondContact O-CG 3.37Å; Q481-K484 PolarHBondContact O-N 2.94Å | ||
| 485 | A | 92.9 | Very high | 94.1 | Very high | 41 Ų | 41 | 52 Ų | 52 | 34% | 0.339 | 29% | 0.285 | S | S | . | . | trans | -110.7 | 144.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | V479 S480 P483 V487 | V479-A485 CarbonylContact C-O 3.56Å; V479-A485 VanDerWaalsContact CA-O 3.31Å; V479-A485 WeakPolarHBondContact CA-O 3.02Å; S480-A485 PolarHBondContact N-O 2.98Å; P483-A485 HydrophobicContact CG-CB 4.15Å; A485-V487 PolarHBondContact O-N 3.01Å | ||
| 486 | L | 95.6 | Very high | 94 | Very high | 67 Ų | 67 | 57.1 Ų | 57.1 | 35% | 0.351 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 118.1 | 170.1 | -178.2 | 75.7 | 0 | 0 | 0 | 109.4 | R477 V479 E489 | R477-L486 HydrophobicContact CB-CD1 3.75Å; R477-L486 HydrophobicContact CG-CD1 4.19Å; V479-L486 HydrophobicContact CG2-CD1 4.34Å; L486-E489 HydrophobicContact CD2-CB 4.39Å |
| 487 | V | 95.7 | Very high | 93.9 | Very high | 42 Ų | 42 | 62.3 Ų | 62.3 | 26% | 0.255 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -29.8 | -178.6 | -69.7 | 0 | 0 | 0 | 0 | 112.9 | L478 A485 Q524 | L478-V487 HydrophobicContact CB-CG2 4.14Å; L478-V487 HydrophobicContact CD2-CG2 4.26Å; L478-V487 HydrophobicContact CG-CG2 3.91Å; L478-V487 WeakPolarHBondContact O-CG2 3.23Å; L478-V487 PolarHBondContact O-N 2.77Å; A485-V487 PolarHBondContact O-N 3.01Å; V487-Q524 HydrophobicContact CB-CB 3.94Å; V487-Q524 HydrophobicContact CB-CG 4.17Å; V487-Q524 HydrophobicContact CG1-CB 4.37Å; V487-Q524 HydrophobicContact CG1-CG 4.08Å; V487-Q524 HydrophobicContact CG2-CB 4.24Å; V487-Q524 HydrophobicContact CG2-CG 4.41Å |
| 488 | S | 97 | Very high | 93.9 | Very high | 23 Ų | 23 | 60.9 Ų | 60.9 | 16% | 0.161 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 147.2 | 176.3 | -175.3 | 0 | 0 | 0 | 0 | 110.5 | L478 L526 | L478-S488 PolarHBondContact N-O 2.76Å; L478-S488 PolarHBondContact O-N 2.83Å; S488-L526 PolarHBondContact OG-N 2.92Å |
| 489 | E | 97.1 | Very high | 93.7 | Very high | 72 Ų | 72 | 62.9 Ų | 62.9 | 34% | 0.336 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 125.8 | 176.2 | -174.4 | 179.6 | -146.4 | 0 | 0 | 108.9 | S475 V476 R477 L486 K491 | S475-E489 PolarHBondContact OG-OE1 3.32Å; V476-E489 CarbonylContact O-C 3.53Å; V476-E489 WeakPolarHBondContact O-CA 3.34Å; R477-E489 HydrophobicContact CG-CG 4.26Å; R477-E489 IonicContact NH1-OE1 2.67Å; R477-E489 PolarHBondContact NH1-OE1 2.87Å; L486-E489 HydrophobicContact CD2-CB 4.39Å; E489-K491 HydrophobicContact CG-CG 4.41Å; E489-K491 WeakPolarHBondContact OE1-CE 3.46Å; E489-K491 IonicContact OE1-NZ 3.78Å; E489-K491 PolarHBondContact OE1-NZ 2.82Å; E489-K491 WeakPolarHBondContact OE2-CE 3.31Å; E489-K491 IonicContact OE2-NZ 3.66Å; E489-K491 PolarHBondContact OE2-NZ 2.99Å |
| 490 | W | 97.7 | Very high | 93.7 | Very high | 21 Ų | 21 | 64.3 Ų | 64.3 | 8% | 0.08 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 132.9 | 171.5 | 177.5 | 92.1 | 0 | 0 | 0 | 109.7 | S475 V476 E492 I498 V510 Y517 L519 L526 | S475-W490 VanDerWaalsContact CA-O 3.3Å; S475-W490 WeakPolarHBondContact CA-O 3.34Å; S475-W490 VanDerWaalsContact CB-O 3.3Å; S475-W490 WeakPolarHBondContact CB-O 3.41Å; V476-W490 HydrophobicContact CB-CB 4.3Å; V476-W490 HydrophobicContact CB-CE3 4.35Å; V476-W490 HydrophobicContact CG2-CE3 3.86Å; V476-W490 HydrophobicContact CG2-CZ3 4.43Å; V476-W490 PolarHBondContact N-O 2.98Å; V476-W490 PolarHBondContact O-N 3.45Å; W490-E492 HydrophobicContact CH2-CB 4.05Å; W490-I498 HydrophobicContact CZ3-CD1 4.09Å; W490-I498 HydrophobicContact CZ3-CG1 4.32Å; W490-V510 HydrophobicContact CE3-CG2 4.35Å; W490-V510 HydrophobicContact CH2-CG2 3.68Å; W490-V510 HydrophobicContact CZ3-CG2 3.54Å; W490-Y517 HydrophobicContact CH2-CD1 4.22Å; W490-Y517 AromaticContact CH2-CD2 3.85Å; W490-Y517 HydrophobicContact CH2-CD2 3.85Å; W490-Y517 HydrophobicContact CH2-CE2 4.38Å; W490-Y517 AromaticContact CH2-CG 3.76Å; W490-Y517 HydrophobicContact CH2-CG 3.76Å; W490-Y517 AromaticContact CZ2-CD1 3.64Å; W490-Y517 HydrophobicContact CZ2-CD1 3.64Å; W490-Y517 HydrophobicContact CZ2-CD2 4.13Å; W490-Y517 HydrophobicContact CZ2-CE1 4.19Å; W490-Y517 AromaticContact CZ2-CG 3.6Å; W490-Y517 HydrophobicContact CZ2-CG 3.6Å; W490-L519 HydrophobicContact CB-CD1 3.98Å; W490-L519 HydrophobicContact CD2-CD1 3.78Å; W490-L519 HydrophobicContact CD2-CD2 4.05Å; W490-L519 HydrophobicContact CE3-CD1 4.06Å; W490-L519 HydrophobicContact CG-CD1 3.75Å; W490-L519 HydrophobicContact CG-CD2 4.02Å; W490-L519 HydrophobicContact CZ2-CD2 4.47Å; W490-L526 HydrophobicContact CB-CB 4.35Å; W490-L526 HydrophobicContact CB-CD1 4.02Å |
| 491 | K | 96.5 | Very high | 93.8 | Very high | 110 Ų | 110 | 64.7 Ų | 64.7 | 48% | 0.478 | 36% | 0.356 | S | S | . | . | trans | -127.1 | 147 | 174.8 | -69.6 | -179.5 | 176.7 | 151.5 | 0 | 108.9 | E489 | E489-K491 HydrophobicContact CG-CG 4.41Å; E489-K491 WeakPolarHBondContact OE1-CE 3.46Å; E489-K491 IonicContact OE1-NZ 3.78Å; E489-K491 PolarHBondContact OE1-NZ 2.82Å; E489-K491 WeakPolarHBondContact OE2-CE 3.31Å; E489-K491 IonicContact OE2-NZ 3.66Å; E489-K491 PolarHBondContact OE2-NZ 2.99Å | ||
| 492 | E | 95.3 | Very high | 94.1 | Very high | 11 Ų | 11 | 64.5 Ų | 64.5 | 5% | 0.051 | 36% | 0.357 | C | S | . | . | trans | -63.4 | 137.2 | 174 | -169.7 | -79.7 | 142.5 | 0 | 0 | 109.8 | W490 Q494 A495 K496 V512 Y517 | W490-E492 HydrophobicContact CH2-CB 4.05Å; E492-Q494 PolarHBondContact O-N 3.04Å; E492-Q494 VanDerWaalsContact O-N 3.1Å; E492-Q494 PolarHBondContact OE1-N 2.78Å; E492-Q494 VanDerWaalsContact OE1-N 3.12Å; E492-Q494 WeakPolarHBondContact OE2-CA 3.21Å; E492-Q494 VanDerWaalsContact OE2-CB 3.26Å; E492-Q494 WeakPolarHBondContact OE2-CB 3.32Å; E492-Q494 PolarHBondContact OE2-N 2.79Å; E492-A495 WeakPolarHBondContact O-CA 3.15Å; E492-A495 PolarHBondContact O-N 3.38Å; E492-A495 PolarHBondContact OE2-N 2.69Å; E492-K496 HydrophobicContact CG-CB 4.47Å; E492-K496 WeakPolarHBondContact OE2-CB 3.26Å; E492-K496 PolarHBondContact OE2-N 2.88Å; E492-V512 HydrophobicContact CB-CG2 4.32Å; E492-V512 HydrophobicContact CG-CG1 4.23Å; E492-V512 HydrophobicContact CG-CG2 4.06Å; E492-Y517 HydrophobicContact CG-CE2 4.06Å; E492-Y517 PolarHBondContact OE1-OH 3.24Å | ||
| 493 | P | 90.7 | Very high | 94.6 | Very high | 99 Ų | 99 | 57.6 Ų | 57.6 | 64% | 0.643 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -27.7 | -173.9 | -30.6 | 36.3 | 0 | 0 | 0 | 116.6 | ||
| 494 | Q | 91.6 | Very high | 95 | Very high | 130 Ų | 130 | 53.6 Ų | 53.6 | 61% | 0.607 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 10.7 | 177.2 | -55 | 179.7 | -3.3 | 0 | 0 | 112.8 | E492 K496 | E492-Q494 PolarHBondContact O-N 3.04Å; E492-Q494 VanDerWaalsContact O-N 3.1Å; E492-Q494 PolarHBondContact OE1-N 2.78Å; E492-Q494 VanDerWaalsContact OE1-N 3.12Å; E492-Q494 WeakPolarHBondContact OE2-CA 3.21Å; E492-Q494 VanDerWaalsContact OE2-CB 3.26Å; E492-Q494 WeakPolarHBondContact OE2-CB 3.32Å; E492-Q494 PolarHBondContact OE2-N 2.79Å; Q494-K496 HydrophobicContact CB-CD 4.4Å; Q494-K496 HydrophobicContact CB-CG 4.28Å; Q494-K496 PolarHBondContact O-N 2.99Å |
| 495 | A | 91.1 | Very high | 95.2 | Very high | 86 Ų | 86 | 52.9 Ų | 52.9 | 71% | 0.711 | 30% | 0.302 | S | S | * | . | trans | 54.1 | 32.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E492 | E492-A495 WeakPolarHBondContact O-CA 3.15Å; E492-A495 PolarHBondContact O-N 3.38Å; E492-A495 PolarHBondContact OE2-N 2.69Å | ||
| 496 | K | 94.5 | Very high | 95.3 | Very high | 111 Ų | 111 | 51.8 Ų | 51.8 | 48% | 0.483 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 149 | 171.4 | -70.3 | 172.4 | 173.1 | 165.3 | 0 | 110.5 | E492 Q494 V512 | E492-K496 HydrophobicContact CG-CB 4.47Å; E492-K496 WeakPolarHBondContact OE2-CB 3.26Å; E492-K496 PolarHBondContact OE2-N 2.88Å; Q494-K496 HydrophobicContact CB-CD 4.4Å; Q494-K496 HydrophobicContact CB-CG 4.28Å; Q494-K496 PolarHBondContact O-N 2.99Å; K496-V512 HydrophobicContact CB-CG1 3.42Å; K496-V512 VanDerWaalsContact CB-CG1 3.42Å; K496-V512 HydrophobicContact CD-CG1 4.17Å; K496-V512 HydrophobicContact CG-CG1 4.45Å |
| 497 | N | 96.1 | Very high | 95.4 | Very high | 109 Ų | 109 | 48.8 Ų | 48.8 | 58% | 0.583 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 133.7 | -179.2 | -68.5 | -17.7 | 0 | 0 | 0 | 111.4 | S473 | S473-N497 CarbonylContact O-C 3.59Å; S473-N497 WeakPolarHBondContact O-CA 3.43Å |
| 498 | I | 97.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 136.8 | 162.7 | -62.3 | 165.6 | 0 | 0 | 0 | 107.4 | F458 I471 T472 S473 V476 W490 A501 V510 V512 | F458-I498 HydrophobicContact CD2-CG2 4.23Å; F458-I498 VanDerWaalsContact CE2-O 3.31Å; F458-I498 WeakPolarHBondContact CE2-O 3.49Å; I471-I498 HydrophobicContact CG2-CD1 4.11Å; I471-I498 HydrophobicContact CG2-CG2 4.43Å; T472-I498 WeakPolarHBondContact O-CD1 3.46Å; S473-I498 PolarHBondContact O-N 3.31Å; V476-I498 HydrophobicContact CG2-CD1 4Å; W490-I498 HydrophobicContact CZ3-CD1 4.09Å; W490-I498 HydrophobicContact CZ3-CG1 4.32Å; I498-A501 HydrophobicContact CG2-CB 4.45Å; I498-V510 HydrophobicContact CD1-CG1 4.3Å; I498-V510 HydrophobicContact CG1-CB 4.44Å; I498-V510 HydrophobicContact CG2-CB 4.07Å; I498-V510 HydrophobicContact CG2-CG1 4.22Å; I498-V512 HydrophobicContact CG1-CG2 4.29Å |
| 499 | S | 95.2 | Very high | 95.6 | Very high | 43 Ų | 43 | 45.7 Ų | 45.7 | 30% | 0.301 | 26% | 0.257 | S | S | . | . | trans | -107.8 | -36.6 | 178.5 | 57.2 | 0 | 0 | 0 | 0 | 112.5 | A511 G513 | S499-A511 PolarHBondContact N-O 2.74Å; S499-A511 PolarHBondContact OG-O 2.91Å; S499-G513 PolarHBondContact OG-N 3Å | ||
| 500 | V | 95.7 | Very high | 95.6 | Very high | 29 Ų | 29 | 42.3 Ų | 42.3 | 18% | 0.176 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 145.7 | 179.7 | -172.1 | 0 | 0 | 0 | 0 | 108.8 | A511 L541 | V500-A511 HydrophobicContact CB-CB 4.22Å; V500-A511 PolarHBondContact O-N 2.69Å; V500-L541 HydrophobicContact CB-CD2 3.84Å; V500-L541 HydrophobicContact CG1-CB 4.43Å; V500-L541 HydrophobicContact CG1-CD2 3.59Å; V500-L541 HydrophobicContact CG1-CG 3.85Å |
| 501 | A | 97 | Very high | 95.6 | Very high | 17 Ų | 17 | 41.3 Ų | 41.3 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 150.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I471 I498 V509 V510 | I471-A501 HydrophobicContact CB-CB 4.25Å; I471-A501 HydrophobicContact CD1-CB 3.84Å; I471-A501 HydrophobicContact CG2-CB 3.64Å; I498-A501 HydrophobicContact CG2-CB 4.45Å; A501-V509 WeakPolarHBondContact CA-O 3.37Å; A501-V510 HydrophobicContact CB-CG1 3.92Å |
| 502 | S | 96.9 | Very high | 95.6 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 146.1 | 166.1 | -171.8 | 0 | 0 | 0 | 0 | 108.8 | V509 I543 | S502-V509 PolarHBondContact N-O 3.12Å; S502-V509 PolarHBondContact O-N 2.74Å; S502-I543 PolarHBondContact OG-N 2.87Å |
| 503 | C | 97.1 | Very high | 95.5 | Very high | 11 Ų | 11 | 37.1 Ų | 37.1 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 137 | -173.6 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | F459 I471 Q507 V508 | F459-C503 HydrophobicContact CD1-CB 3.53Å; F459-C503 HydrophobicContact CD2-CB 4.41Å; F459-C503 HydrophobicContact CE1-CB 3.35Å; F459-C503 HydrophobicContact CE2-CB 4.22Å; F459-C503 HydrophobicContact CG-CB 4.09Å; F459-C503 HydrophobicContact CZ-CB 3.71Å; F459-C503 WeakPolarHBondContact CZ-O 3.31Å; I471-C503 HydrophobicContact CD1-CB 4.21Å; C503-Q507 WeakPolarHBondContact CA-O 3.38Å; C503-Q507 PolarHBondContact SG-O 3.11Å; C503-V508 HydrophobicContact CB-CG2 4.42Å |
| 504 | N | 95.4 | Very high | 95.7 | Very high | 17 Ų | 17 | 38.4 Ų | 38.4 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | trans | -111.7 | -161.5 | 165.3 | 65.7 | 34.1 | 0 | 0 | 0 | 109.1 | S506 Q507 I543 | N504-S506 PolarHBondContact O-N 3.49Å; N504-S506 PolarHBondContact OD1-N 2.77Å; N504-Q507 PolarHBondContact N-O 3.32Å; N504-Q507 PolarHBondContact ND2-OE1 3.24Å; N504-Q507 WeakPolarHBondContact OD1-CB 3.48Å; N504-Q507 PolarHBondContact OD1-N 3.02Å; N504-I543 PolarHBondContact ND2-O 3.09Å | ||
| 505 | S | 93.2 | Very high | 96 | Very high | 53 Ų | 53 | 33 Ų | 33 | 37% | 0.371 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -65.3 | -20.9 | -177.1 | 63 | 0 | 0 | 0 | 0 | 114.3 | V463 A464 | V463-S505 WeakPolarHBondContact CB-O 3.29Å; A464-S505 VanDerWaalsContact CB-O 3.28Å; A464-S505 WeakPolarHBondContact CB-O 3.46Å; A464-S505 PolarHBondContact N-O 2.84Å |
| 506 | S | 95 | Very high | 96.3 | Very high | 19 Ų | 19 | 29 Ų | 29 | 13% | 0.133 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -138.8 | -9.8 | -169.8 | 60.4 | 0 | 0 | 0 | 0 | 115 | N504 I521 G551 L552 | N504-S506 PolarHBondContact O-N 3.49Å; N504-S506 PolarHBondContact OD1-N 2.77Å; S506-I521 PolarHBondContact O-N 2.97Å; S506-G551 PolarHBondContact OG-O 2.83Å; S506-L552 VanDerWaalsContact OG-CD2 3.23Å; S506-L552 WeakPolarHBondContact OG-CD2 3.15Å |
| 507 | Q | 97 | Very high | 96.4 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.019 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 145.6 | -175.2 | -64.2 | 169.1 | -57 | 0 | 0 | 110.5 | C503 N504 Y518 I543 L552 S553 | C503-Q507 WeakPolarHBondContact CA-O 3.38Å; C503-Q507 PolarHBondContact SG-O 3.11Å; N504-Q507 PolarHBondContact N-O 3.32Å; N504-Q507 PolarHBondContact ND2-OE1 3.24Å; N504-Q507 WeakPolarHBondContact OD1-CB 3.48Å; N504-Q507 PolarHBondContact OD1-N 3.02Å; Q507-Y518 HydrophobicContact CB-CE2 3.86Å; Q507-Y518 HydrophobicContact CG-CE2 3.74Å; Q507-Y518 PolarHBondContact NE2-OH 3.47Å; Q507-I543 HydrophobicContact CB-CD1 3.81Å; Q507-I543 WeakPolarHBondContact O-CD1 3.32Å; Q507-L552 HydrophobicContact CG-CD2 3.63Å; Q507-S553 PolarHBondContact NE2-O 3.35Å; Q507-S553 PolarHBondContact OE1-O 3.48Å |
| 508 | V | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 132.4 | 172.2 | -173.8 | 0 | 0 | 0 | 0 | 108.1 | I469 I471 V476 C503 V510 L519 I521 | I469-V508 HydrophobicContact CD1-CG2 3.41Å; I469-V508 VanDerWaalsContact CD1-CG2 3.41Å; I471-V508 HydrophobicContact CD1-CG1 3.56Å; V476-V508 HydrophobicContact CG1-CG1 4.33Å; V476-V508 HydrophobicContact CG2-CG1 4.37Å; C503-V508 HydrophobicContact CB-CG2 4.42Å; V508-V510 HydrophobicContact CG1-CG1 3.9Å; V508-L519 HydrophobicContact CB-CB 4.11Å; V508-L519 HydrophobicContact CB-CD1 4.38Å; V508-L519 HydrophobicContact CB-CG 4.45Å; V508-L519 HydrophobicContact CG1-CD1 4.4Å; V508-L519 PolarHBondContact N-O 3.34Å; V508-L519 PolarHBondContact O-N 3.01Å; V508-I521 HydrophobicContact CG2-CD1 3.92Å; V508-I521 HydrophobicContact CG2-CG1 3.98Å |
| 509 | V | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.8 | 165.1 | 177.1 | 0 | 0 | 0 | 0 | 108.4 | A501 S502 L516 Y517 Y518 L541 I543 L571 F574 | A501-V509 WeakPolarHBondContact CA-O 3.37Å; S502-V509 PolarHBondContact N-O 3.12Å; S502-V509 PolarHBondContact O-N 2.74Å; V509-L516 HydrophobicContact CG1-CD2 4.19Å; V509-Y517 WeakPolarHBondContact CA-O 3.16Å; V509-Y518 HydrophobicContact CG2-CD2 3.83Å; V509-L541 HydrophobicContact CB-CD1 3.88Å; V509-L541 HydrophobicContact CG1-CD1 3.91Å; V509-I543 HydrophobicContact CB-CG2 4.21Å; V509-I543 HydrophobicContact CG2-CD1 4.33Å; V509-I543 HydrophobicContact CG2-CG2 3.75Å; V509-L571 HydrophobicContact CG2-CD1 4.35Å; V509-L571 HydrophobicContact CG2-CD2 4.22Å; V509-F574 HydrophobicContact CG1-CE1 4.2Å; V509-F574 HydrophobicContact CG1-CZ 4.32Å; V509-F574 HydrophobicContact CG2-CE1 4.5Å |
| 510 | V | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 139.9 | 175.1 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | I471 V476 W490 I498 A501 V508 Y517 | I471-V510 HydrophobicContact CD1-CG1 4.47Å; I471-V510 HydrophobicContact CG2-CG1 4.22Å; V476-V510 HydrophobicContact CG2-CG1 3.73Å; W490-V510 HydrophobicContact CE3-CG2 4.35Å; W490-V510 HydrophobicContact CH2-CG2 3.68Å; W490-V510 HydrophobicContact CZ3-CG2 3.54Å; I498-V510 HydrophobicContact CD1-CG1 4.3Å; I498-V510 HydrophobicContact CG1-CB 4.44Å; I498-V510 HydrophobicContact CG2-CB 4.07Å; I498-V510 HydrophobicContact CG2-CG1 4.22Å; A501-V510 HydrophobicContact CB-CG1 3.92Å; V508-V510 HydrophobicContact CG1-CG1 3.9Å; V510-Y517 HydrophobicContact CG2-CD2 4.41Å; V510-Y517 PolarHBondContact N-O 3.49Å; V510-Y517 PolarHBondContact O-N 2.95Å |
| 511 | A | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 137.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | S499 V500 A515 L516 V538 L541 | S499-A511 PolarHBondContact N-O 2.74Å; S499-A511 PolarHBondContact OG-O 2.91Å; V500-A511 HydrophobicContact CB-CB 4.22Å; V500-A511 PolarHBondContact O-N 2.69Å; A511-A515 CarbonylContact C-O 3.57Å; A511-A515 VanDerWaalsContact CA-O 3.32Å; A511-A515 WeakPolarHBondContact CA-O 3.27Å; A511-L516 HydrophobicContact CB-CD2 3.82Å; A511-V538 HydrophobicContact CB-CB 3.74Å; A511-V538 HydrophobicContact CB-CG1 3.97Å; A511-V538 HydrophobicContact CB-CG2 4.07Å; A511-L541 HydrophobicContact CB-CD2 4.08Å |
| 512 | V | 96.7 | Very high | 96.6 | Very high | 13 Ų | 13 | 20.3 Ų | 20.3 | 8% | 0.079 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 84.3 | 172.1 | 178.3 | 0 | 0 | 0 | 0 | 106.3 | E492 K496 I498 R514 A515 Y517 | E492-V512 HydrophobicContact CB-CG2 4.32Å; E492-V512 HydrophobicContact CG-CG1 4.23Å; E492-V512 HydrophobicContact CG-CG2 4.06Å; K496-V512 HydrophobicContact CB-CG1 3.42Å; K496-V512 VanDerWaalsContact CB-CG1 3.42Å; K496-V512 HydrophobicContact CD-CG1 4.17Å; K496-V512 HydrophobicContact CG-CG1 4.45Å; I498-V512 HydrophobicContact CG1-CG2 4.29Å; V512-R514 PolarHBondContact O-N 2.81Å; V512-A515 PolarHBondContact N-O 2.75Å; V512-A515 PolarHBondContact O-N 3.07Å; V512-A515 VanDerWaalsContact O-N 3.14Å; V512-Y517 HydrophobicContact CB-CE2 4.16Å; V512-Y517 HydrophobicContact CG2-CD2 4.23Å; V512-Y517 HydrophobicContact CG2-CE2 3.96Å |
| 513 | G | 94.3 | Very high | 96.5 | Very high | 20 Ų | 20 | 23.7 Ų | 23.7 | 21% | 0.206 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | -103.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S499 V538 | S499-G513 PolarHBondContact OG-N 3Å; G513-V538 PolarHBondContact O-N 2.99Å |
| 514 | R | 94.9 | Very high | 96.3 | Very high | 126 Ų | 126 | 29.1 Ų | 29.1 | 48% | 0.475 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -20.9 | 178.6 | -57.2 | -172.4 | -175.7 | 170.5 | -1.3 | 113.8 | V512 E533 M534 | V512-R514 PolarHBondContact O-N 2.81Å; R514-E533 HydrophobicContact CB-CG 4.02Å; R514-M534 WeakPolarHBondContact O-CB 3.31Å; R514-M534 PolarHBondContact O-N 2.94Å |
| 515 | A | 96.5 | Very high | 96.4 | Very high | 18 Ų | 18 | 32 Ų | 32 | 15% | 0.149 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 133.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110 | A511 V512 Y517 T532 | A511-A515 CarbonylContact C-O 3.57Å; A511-A515 VanDerWaalsContact CA-O 3.32Å; A511-A515 WeakPolarHBondContact CA-O 3.27Å; V512-A515 PolarHBondContact N-O 2.75Å; V512-A515 PolarHBondContact O-N 3.07Å; V512-A515 VanDerWaalsContact O-N 3.14Å; A515-Y517 HydrophobicContact CB-CE2 3.69Å; A515-T532 CarbonylContact C-O 3.42Å; A515-T532 WeakPolarHBondContact CA-O 3.31Å |
| 516 | L | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 136.2 | 172.8 | -72.3 | 174.7 | 0 | 0 | 0 | 109.4 | V509 A511 H531 T532 M534 V538 I558 L569 F574 | V509-L516 HydrophobicContact CG1-CD2 4.19Å; A511-L516 HydrophobicContact CB-CD2 3.82Å; L516-H531 CarbonylContact O-C 3.29Å; L516-H531 WeakPolarHBondContact O-CA 3.18Å; L516-T532 HydrophobicContact CB-CG2 3.96Å; L516-T532 HydrophobicContact CD1-CG2 4.22Å; L516-T532 PolarHBondContact N-O 3.22Å; L516-T532 PolarHBondContact O-N 3.39Å; L516-M534 HydrophobicContact CD1-CG 3.7Å; L516-M534 HydrophobicContact CD1-SD 3.75Å; L516-M534 HydrophobicContact CG-CG 4.08Å; L516-V538 HydrophobicContact CD2-CG2 3.96Å; L516-V538 HydrophobicContact CG-CG2 4.29Å; L516-I558 HydrophobicContact CD1-CD1 4.28Å; L516-I558 HydrophobicContact CD1-CG2 4.48Å; L516-L569 HydrophobicContact CD1-CD1 3.82Å; L516-F574 HydrophobicContact CB-CE1 4.09Å; L516-F574 HydrophobicContact CB-CE2 4.29Å; L516-F574 HydrophobicContact CB-CZ 3.89Å; L516-F574 HydrophobicContact CD1-CD1 4.25Å; L516-F574 HydrophobicContact CD1-CE1 4.19Å |
| 517 | Y | 98 | Very high | 96.7 | Very high | 20 Ų | 20 | 34.7 Ų | 34.7 | 8% | 0.078 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 129.9 | 174.9 | -59.4 | -95.5 | 0 | 0 | 0 | 109.2 | W490 E492 V509 V510 V512 A515 H531 | W490-Y517 HydrophobicContact CH2-CD1 4.22Å; W490-Y517 AromaticContact CH2-CD2 3.85Å; W490-Y517 HydrophobicContact CH2-CD2 3.85Å; W490-Y517 HydrophobicContact CH2-CE2 4.38Å; W490-Y517 AromaticContact CH2-CG 3.76Å; W490-Y517 HydrophobicContact CH2-CG 3.76Å; W490-Y517 AromaticContact CZ2-CD1 3.64Å; W490-Y517 HydrophobicContact CZ2-CD1 3.64Å; W490-Y517 HydrophobicContact CZ2-CD2 4.13Å; W490-Y517 HydrophobicContact CZ2-CE1 4.19Å; W490-Y517 AromaticContact CZ2-CG 3.6Å; W490-Y517 HydrophobicContact CZ2-CG 3.6Å; E492-Y517 HydrophobicContact CG-CE2 4.06Å; E492-Y517 PolarHBondContact OE1-OH 3.24Å; V509-Y517 WeakPolarHBondContact CA-O 3.16Å; V510-Y517 HydrophobicContact CG2-CD2 4.41Å; V510-Y517 PolarHBondContact N-O 3.49Å; V510-Y517 PolarHBondContact O-N 2.95Å; V512-Y517 HydrophobicContact CB-CE2 4.16Å; V512-Y517 HydrophobicContact CG2-CD2 4.23Å; V512-Y517 HydrophobicContact CG2-CE2 3.96Å; A515-Y517 HydrophobicContact CB-CE2 3.69Å; Y517-H531 HydrophobicContact CD1-CB 3.76Å; Y517-H531 HydrophobicContact CE1-CB 3.96Å; Y517-H531 HydrophobicContact CG-CB 4.5Å |
| 518 | Y | 98 | Very high | 96.6 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 2% | 0.02 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 121.8 | 174.7 | 169.3 | -113 | 0 | 0 | 0 | 109.6 | Q507 V509 Q520 I529 S530 L571 P572 F574 | Q507-Y518 HydrophobicContact CB-CE2 3.86Å; Q507-Y518 HydrophobicContact CG-CE2 3.74Å; Q507-Y518 PolarHBondContact NE2-OH 3.47Å; V509-Y518 HydrophobicContact CG2-CD2 3.83Å; Y518-Q520 HydrophobicContact CE1-CG 3.86Å; Y518-Q520 WeakPolarHBondContact OH-CG 3.14Å; Y518-Q520 PolarHBondContact OH-NE2 2.72Å; Y518-I529 HydrophobicContact CD1-CB 3.61Å; Y518-I529 HydrophobicContact CD1-CG1 4.16Å; Y518-I529 HydrophobicContact CD1-CG2 4Å; Y518-I529 HydrophobicContact CE1-CB 3.79Å; Y518-I529 HydrophobicContact CE1-CG1 3.94Å; Y518-I529 HydrophobicContact CE1-CG2 3.95Å; Y518-I529 PolarHBondContact O-N 3.16Å; Y518-S530 PolarHBondContact N-O 3.21Å; Y518-L571 HydrophobicContact CD2-CD1 4.23Å; Y518-L571 HydrophobicContact CD2-CD2 3.81Å; Y518-L571 HydrophobicContact CE2-CD1 4.01Å; Y518-L571 HydrophobicContact CE2-CD2 4.23Å; Y518-L571 HydrophobicContact CG-CD2 4.09Å; Y518-P572 HydrophobicContact CD1-CB 3.62Å; Y518-P572 HydrophobicContact CE1-CB 3.38Å; Y518-F574 VanDerWaalsContact CB-CZ 3.45Å |
| 519 | L | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 142.3 | 178.1 | -38.2 | 174.5 | 0 | 0 | 0 | 109.9 | V476 W490 V508 R527 Q528 | V476-L519 HydrophobicContact CB-CD1 4.2Å; V476-L519 HydrophobicContact CG1-CD1 4.23Å; V476-L519 HydrophobicContact CG2-CD1 4.01Å; W490-L519 HydrophobicContact CB-CD1 3.98Å; W490-L519 HydrophobicContact CD2-CD1 3.78Å; W490-L519 HydrophobicContact CD2-CD2 4.05Å; W490-L519 HydrophobicContact CE3-CD1 4.06Å; W490-L519 HydrophobicContact CG-CD1 3.75Å; W490-L519 HydrophobicContact CG-CD2 4.02Å; W490-L519 HydrophobicContact CZ2-CD2 4.47Å; V508-L519 HydrophobicContact CB-CB 4.11Å; V508-L519 HydrophobicContact CB-CD1 4.38Å; V508-L519 HydrophobicContact CB-CG 4.45Å; V508-L519 HydrophobicContact CG1-CD1 4.4Å; V508-L519 PolarHBondContact N-O 3.34Å; V508-L519 PolarHBondContact O-N 3.01Å; L519-R527 CarbonylContact C-O 3.58Å; L519-R527 WeakPolarHBondContact CA-O 3.36Å; L519-Q528 HydrophobicContact CD2-CB 3.61Å; L519-Q528 HydrophobicContact CD2-CG 3.87Å |
| 520 | Q | 96.4 | Very high | 96.5 | Very high | 52 Ų | 52 | 42.9 Ų | 42.9 | 24% | 0.243 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 137.4 | 167.9 | -78 | -177.5 | -26.9 | 0 | 0 | 110.3 | Y518 R527 I529 | Y518-Q520 HydrophobicContact CE1-CG 3.86Å; Y518-Q520 WeakPolarHBondContact OH-CG 3.14Å; Y518-Q520 PolarHBondContact OH-NE2 2.72Å; Q520-R527 PolarHBondContact N-O 3.47Å; Q520-R527 PolarHBondContact O-N 3.02Å; Q520-I529 HydrophobicContact CB-CD1 4.24Å; Q520-I529 HydrophobicContact CB-CG1 3.92Å; Q520-I529 HydrophobicContact CG-CD1 4.35Å; Q520-I529 HydrophobicContact CG-CG1 3.67Å |
| 521 | I | 96.5 | Very high | 96.3 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 112.9 | 176 | -57.2 | 170.9 | 0 | 0 | 0 | 107.2 | V463 I469 L478 S506 V508 L526 | V463-I521 HydrophobicContact CB-CD1 3.74Å; V463-I521 HydrophobicContact CG1-CD1 3.68Å; V463-I521 HydrophobicContact CG2-CD1 4.1Å; V463-I521 HydrophobicContact CG2-CG2 4.17Å; I469-I521 HydrophobicContact CD1-CD1 4.04Å; L478-I521 HydrophobicContact CD1-CG2 3.94Å; L478-I521 HydrophobicContact CD2-CG2 4.33Å; S506-I521 PolarHBondContact O-N 2.97Å; V508-I521 HydrophobicContact CG2-CD1 3.92Å; V508-I521 HydrophobicContact CG2-CG1 3.98Å; I521-L526 HydrophobicContact CG1-CD2 4.15Å |
| 522 | H | 95.4 | Very high | 96.3 | Very high | 49 Ų | 49 | 51 Ų | 51 | 23% | 0.227 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 169.9 | 171.6 | -71 | -77.3 | 0 | 0 | 0 | 109.7 | Q467 Q524 E525 | Q467-H522 PolarHBondContact NE2-O 2.77Å; H522-Q524 PolarHBondContact O-N 2.82Å; H522-E525 HydrophobicContact CB-CB 4.25Å; H522-E525 WeakPolarHBondContact CB-O 3.43Å; H522-E525 PolarHBondContact N-O 2.93Å; H522-E525 PolarHBondContact O-N 3.36Å |
| 523 | P | 94.9 | Very high | 96.2 | Very high | 83 Ų | 83 | 57.2 Ų | 57.2 | 54% | 0.539 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 113.4 | 172.8 | -24 | 33.9 | 0 | 0 | 0 | 110 | E525 | P523-E525 PolarHBondContact O-N 3.45Å; P523-E525 VanDerWaalsContact O-N 3.09Å |
| 524 | Q | 94.1 | Very high | 96.2 | Very high | 125 Ų | 125 | 57.1 Ų | 57.1 | 58% | 0.584 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 17.3 | 179.4 | -57.1 | -173.8 | -10.3 | 0 | 0 | 116.3 | V487 H522 | V487-Q524 HydrophobicContact CB-CB 3.94Å; V487-Q524 HydrophobicContact CB-CG 4.17Å; V487-Q524 HydrophobicContact CG1-CB 4.37Å; V487-Q524 HydrophobicContact CG1-CG 4.08Å; V487-Q524 HydrophobicContact CG2-CB 4.24Å; V487-Q524 HydrophobicContact CG2-CG 4.41Å; H522-Q524 PolarHBondContact O-N 2.82Å |
| 525 | E | 96.7 | Very high | 96.1 | Very high | 79 Ų | 79 | 56.5 Ų | 56.5 | 37% | 0.369 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 131.1 | -175.4 | -169.8 | -172.5 | 169.9 | 0 | 0 | 111.3 | H522 P523 R527 | H522-E525 HydrophobicContact CB-CB 4.25Å; H522-E525 WeakPolarHBondContact CB-O 3.43Å; H522-E525 PolarHBondContact N-O 2.93Å; H522-E525 PolarHBondContact O-N 3.36Å; P523-E525 PolarHBondContact O-N 3.45Å; P523-E525 VanDerWaalsContact O-N 3.09Å; E525-R527 HydrophobicContact CG-CG 4.03Å; E525-R527 WeakPolarHBondContact OE1-CG 3.32Å; E525-R527 IonicContact OE1-CZ 2.73Å; E525-R527 IonicContact OE1-NE 3.59Å; E525-R527 PolarHBondContact OE1-NE 3.17Å; E525-R527 IonicContact OE1-NH2 2.87Å; E525-R527 IonicContact OE2-CZ 2.73Å; E525-R527 VanDerWaalsContact OE2-CZ 3.26Å; E525-R527 IonicContact OE2-NE 2.68Å; E525-R527 PolarHBondContact OE2-NE 3.42Å; E525-R527 IonicContact OE2-NH2 3.43Å; E525-R527 PolarHBondContact OE2-NH2 3.02Å |
| 526 | L | 97.2 | Very high | 95.9 | Very high | 16 Ų | 16 | 57.9 Ų | 57.9 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 115.9 | 166.7 | -68 | 169.4 | 0 | 0 | 0 | 109.1 | I469 V476 L478 S488 W490 I521 | I469-L526 HydrophobicContact CD1-CD2 4.48Å; V476-L526 HydrophobicContact CB-CD1 4.14Å; V476-L526 HydrophobicContact CG1-CD1 3.68Å; V476-L526 HydrophobicContact CG1-CD2 4.3Å; V476-L526 VanDerWaalsContact O-CD1 3.28Å; V476-L526 WeakPolarHBondContact O-CD1 3.23Å; L478-L526 HydrophobicContact CB-CD1 4.03Å; L478-L526 HydrophobicContact CB-CD2 4.26Å; L478-L526 HydrophobicContact CB-CG 3.94Å; L478-L526 HydrophobicContact CD1-CD2 4.39Å; L478-L526 HydrophobicContact CD2-CD2 3.98Å; L478-L526 HydrophobicContact CD2-CG 3.89Å; L478-L526 HydrophobicContact CG-CD2 4.48Å; L478-L526 HydrophobicContact CG-CG 4.49Å; S488-L526 PolarHBondContact OG-N 2.92Å; W490-L526 HydrophobicContact CB-CB 4.35Å; W490-L526 HydrophobicContact CB-CD1 4.02Å; I521-L526 HydrophobicContact CG1-CD2 4.15Å |
| 527 | R | 96.8 | Very high | 95.8 | Very high | 112 Ų | 112 | 61.7 Ų | 61.7 | 42% | 0.423 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122.2 | 176.5 | -70 | -169.7 | -177.8 | 154.7 | 7.4 | 111.4 | L519 Q520 E525 I529 | L519-R527 CarbonylContact C-O 3.58Å; L519-R527 WeakPolarHBondContact CA-O 3.36Å; Q520-R527 PolarHBondContact N-O 3.47Å; Q520-R527 PolarHBondContact O-N 3.02Å; E525-R527 HydrophobicContact CG-CG 4.03Å; E525-R527 WeakPolarHBondContact OE1-CG 3.32Å; E525-R527 IonicContact OE1-CZ 2.73Å; E525-R527 IonicContact OE1-NE 3.59Å; E525-R527 PolarHBondContact OE1-NE 3.17Å; E525-R527 IonicContact OE1-NH2 2.87Å; E525-R527 IonicContact OE2-CZ 2.73Å; E525-R527 VanDerWaalsContact OE2-CZ 3.26Å; E525-R527 IonicContact OE2-NE 2.68Å; E525-R527 PolarHBondContact OE2-NE 3.42Å; E525-R527 IonicContact OE2-NH2 3.43Å; E525-R527 PolarHBondContact OE2-NH2 3.02Å; R527-I529 HydrophobicContact CB-CD1 3.97Å; R527-I529 PolarHBondContact O-N 3.04Å |
| 528 | Q | 96.5 | Very high | 95.8 | Very high | 79 Ų | 79 | 60.8 Ų | 60.8 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 114.5 | 167.7 | -175.9 | -177.1 | -43.6 | 0 | 0 | 109.8 | L519 | L519-Q528 HydrophobicContact CD2-CB 3.61Å; L519-Q528 HydrophobicContact CD2-CG 3.87Å |
| 529 | I | 96.4 | Very high | 95.7 | Very high | 72 Ų | 72 | 61.2 Ų | 61.2 | 37% | 0.369 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -41 | -175.5 | -56.8 | -55.9 | 0 | 0 | 0 | 111.1 | Y518 Q520 R527 P572 | Y518-I529 HydrophobicContact CD1-CB 3.61Å; Y518-I529 HydrophobicContact CD1-CG1 4.16Å; Y518-I529 HydrophobicContact CD1-CG2 4Å; Y518-I529 HydrophobicContact CE1-CB 3.79Å; Y518-I529 HydrophobicContact CE1-CG1 3.94Å; Y518-I529 HydrophobicContact CE1-CG2 3.95Å; Y518-I529 PolarHBondContact O-N 3.16Å; Q520-I529 HydrophobicContact CB-CD1 4.24Å; Q520-I529 HydrophobicContact CB-CG1 3.92Å; Q520-I529 HydrophobicContact CG-CD1 4.35Å; Q520-I529 HydrophobicContact CG-CG1 3.67Å; R527-I529 HydrophobicContact CB-CD1 3.97Å; R527-I529 PolarHBondContact O-N 3.04Å; I529-P572 HydrophobicContact CG2-CB 4.04Å |
| 530 | S | 96.4 | Very high | 95.6 | Very high | 25 Ų | 25 | 61.5 Ų | 61.5 | 18% | 0.175 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 162.1 | -178.7 | 63 | 0 | 0 | 0 | 0 | 111.6 | Y518 P572 F574 | Y518-S530 PolarHBondContact N-O 3.21Å; S530-P572 VanDerWaalsContact CB-O 3.27Å; S530-P572 WeakPolarHBondContact CB-O 3.49Å; S530-P572 PolarHBondContact OG-O 3.18Å; S530-F574 WeakPolarHBondContact OG-CE2 3.49Å |
| 531 | H | 95.1 | Very high | 95.6 | Very high | 126 Ų | 126 | 59.6 Ų | 59.6 | 58% | 0.583 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 152 | 170.3 | 79.8 | -71.2 | 0 | 0 | 0 | 109.3 | L516 Y517 | L516-H531 CarbonylContact O-C 3.29Å; L516-H531 WeakPolarHBondContact O-CA 3.18Å; Y517-H531 HydrophobicContact CD1-CB 3.76Å; Y517-H531 HydrophobicContact CE1-CB 3.96Å; Y517-H531 HydrophobicContact CG-CB 4.5Å |
| 532 | T | 96.1 | Very high | 95.7 | Very high | 44 Ų | 44 | 59.8 Ų | 59.8 | 27% | 0.27 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 165.8 | 171.4 | -165.5 | 0 | 0 | 0 | 0 | 110 | A515 L516 M534 F574 | A515-T532 CarbonylContact C-O 3.42Å; A515-T532 WeakPolarHBondContact CA-O 3.31Å; L516-T532 HydrophobicContact CB-CG2 3.96Å; L516-T532 HydrophobicContact CD1-CG2 4.22Å; L516-T532 PolarHBondContact N-O 3.22Å; L516-T532 PolarHBondContact O-N 3.39Å; T532-M534 HydrophobicContact CG2-SD 4.33Å; T532-F574 HydrophobicContact CG2-CB 3.49Å; T532-F574 VanDerWaalsContact CG2-CB 3.49Å; T532-F574 HydrophobicContact CG2-CD1 4.33Å; T532-F574 HydrophobicContact CG2-CD2 3.68Å; T532-F574 HydrophobicContact CG2-CE2 4.41Å; T532-F574 HydrophobicContact CG2-CG 3.61Å |
| 533 | E | 95.2 | Very high | 95.8 | Very high | 143 Ų | 143 | 57.5 Ų | 57.5 | 67% | 0.668 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 124.4 | 173.3 | -169.6 | 175.3 | 176 | 0 | 0 | 109.9 | R514 | R514-E533 HydrophobicContact CB-CG 4.02Å |
| 534 | M | 94.7 | Very high | 95.8 | Very high | 19 Ų | 19 | 55.4 Ų | 55.4 | 9% | 0.094 | 27% | 0.268 | C | S | . | . | trans | -81.1 | 158.6 | 178.6 | -60.5 | -57.1 | -56.8 | 0 | 0 | 111.5 | R514 L516 T532 H536 V538 I558 L560 L569 | R514-M534 WeakPolarHBondContact O-CB 3.31Å; R514-M534 PolarHBondContact O-N 2.94Å; L516-M534 HydrophobicContact CD1-CG 3.7Å; L516-M534 HydrophobicContact CD1-SD 3.75Å; L516-M534 HydrophobicContact CG-CG 4.08Å; T532-M534 HydrophobicContact CG2-SD 4.33Å; M534-H536 WeakPolarHBondContact CB-O 3.46Å; M534-H536 PolarHBondContact O-N 3.04Å; M534-V538 HydrophobicContact CG-CG2 4.23Å; M534-I558 HydrophobicContact CE-CD1 3.43Å; M534-I558 VanDerWaalsContact CE-CD1 3.43Å; M534-I558 HydrophobicContact CG-CD1 4.28Å; M534-I558 HydrophobicContact SD-CD1 3.92Å; M534-L560 HydrophobicContact CB-CD2 4.42Å; M534-L560 HydrophobicContact CE-CD1 4.23Å; M534-L569 HydrophobicContact SD-CD1 4.16Å | ||
| 535 | E | 92 | Very high | 95.7 | Very high | 113 Ų | 113 | 51.8 Ų | 51.8 | 53% | 0.528 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -60.6 | -34.9 | 176.1 | -66.3 | 167 | -178.6 | 0 | 0 | 112.5 | R567 K579 | E535-R567 IonicContact OE1-NH1 2.69Å; E535-R567 IonicContact OE2-CZ 2.85Å; E535-R567 IonicContact OE2-NH1 3.7Å; E535-R567 PolarHBondContact OE2-NH1 3.23Å; E535-R567 IonicContact OE2-NH2 3.69Å; E535-R567 PolarHBondContact OE2-NH2 3.48Å; E535-K579 IonicContact OE2-NZ 3.47Å |
| 536 | H | 93.7 | Very high | 95.3 | Very high | 46 Ų | 46 | 48.3 Ų | 48.3 | 21% | 0.213 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -136.7 | 168.1 | -175.8 | -58.3 | -52.8 | 0 | 0 | 0 | 111.3 | M534 L560 D563 | M534-H536 WeakPolarHBondContact CB-O 3.46Å; M534-H536 PolarHBondContact O-N 3.04Å; H536-L560 HydrophobicContact CB-CB 4.33Å; H536-L560 HydrophobicContact CB-CD1 4.3Å; H536-D563 IonicContact CD2-OD1 2.77Å |
| 537 | E | 95 | Very high | 94.5 | Very high | 80 Ų | 80 | 49.8 Ų | 49.8 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | trans | -67.9 | 139.4 | -179 | -175.9 | 163.5 | -176.2 | 0 | 0 | 111.8 | L560 W561 | E537-L560 WeakPolarHBondContact O-CA 3.13Å; E537-W561 HydrophobicContact CB-CB 4.44Å; E537-W561 HydrophobicContact CB-CG 4.37Å; E537-W561 PolarHBondContact O-N 3.24Å | ||
| 538 | V | 96.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 125.4 | -178.2 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | A511 G513 L516 M534 L541 I558 L560 | A511-V538 HydrophobicContact CB-CB 3.74Å; A511-V538 HydrophobicContact CB-CG1 3.97Å; A511-V538 HydrophobicContact CB-CG2 4.07Å; G513-V538 PolarHBondContact O-N 2.99Å; L516-V538 HydrophobicContact CD2-CG2 3.96Å; L516-V538 HydrophobicContact CG-CG2 4.29Å; M534-V538 HydrophobicContact CG-CG2 4.23Å; V538-L541 HydrophobicContact CG1-CB 4.36Å; V538-L541 HydrophobicContact CG1-CD2 4.48Å; V538-I558 HydrophobicContact CG1-CB 4.48Å; V538-L560 HydrophobicContact CB-CD2 4.41Å; V538-L560 HydrophobicContact CG2-CD2 3.91Å |
| 539 | A | 95.9 | Very high | 91.7 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 12% | 0.116 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -39.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G559 W561 P588 | A539-G559 PolarHBondContact N-O 2.56Å; A539-W561 HydrophobicContact CB-CG 4.28Å; A539-P588 HydrophobicContact CB-CG 4.1Å; A539-P588 WeakPolarHBondContact CB-O 3.45Å |
| 540 | C | 96.3 | Very high | 90.7 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 151.8 | -180 | 55.6 | 0 | 0 | 0 | 0 | 109 | I558 G559 I591 | C540-I558 CarbonylContact O-C 3.11Å; C540-I558 WeakPolarHBondContact O-CA 3.09Å; C540-G559 PolarHBondContact O-N 3.47Å; C540-I591 HydrophobicContact CB-CB 4.41Å; C540-I591 HydrophobicContact CB-CG2 3.98Å |
| 541 | L | 96.8 | Very high | 89.9 | Confident | 13 Ų | 13 | 54.6 Ų | 54.6 | 7% | 0.068 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 149.8 | -179.8 | 78.9 | 98 | 0 | 0 | 0 | 112 | V500 V509 A511 V538 A557 I558 | V500-L541 HydrophobicContact CB-CD2 3.84Å; V500-L541 HydrophobicContact CG1-CB 4.43Å; V500-L541 HydrophobicContact CG1-CD2 3.59Å; V500-L541 HydrophobicContact CG1-CG 3.85Å; V509-L541 HydrophobicContact CB-CD1 3.88Å; V509-L541 HydrophobicContact CG1-CD1 3.91Å; A511-L541 HydrophobicContact CB-CD2 4.08Å; V538-L541 HydrophobicContact CG1-CB 4.36Å; V538-L541 HydrophobicContact CG1-CD2 4.48Å; L541-A557 CarbonylContact C-O 3.58Å; L541-A557 VanDerWaalsContact CA-O 3.26Å; L541-A557 WeakPolarHBondContact CA-O 3.24Å; L541-I558 HydrophobicContact CB-CG2 3.98Å |
| 542 | D | 97.8 | Very high | 89.6 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 6% | 0.059 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 143.8 | 178.5 | -177.3 | 49.9 | 0 | 0 | 0 | 112.4 | T544 C556 A557 I591 M593 | D542-T544 PolarHBondContact OD1-N 3.24Å; D542-T544 PolarHBondContact OD1-OG1 2.92Å; D542-T544 WeakPolarHBondContact OD2-CB 3.45Å; D542-T544 PolarHBondContact OD2-N 3.41Å; D542-T544 PolarHBondContact OD2-OG1 2.65Å; D542-C556 WeakPolarHBondContact O-CA 3.33Å; D542-A557 PolarHBondContact N-O 2.91Å; D542-A557 PolarHBondContact O-N 2.85Å; D542-I591 HydrophobicContact CB-CG2 4.02Å; D542-M593 WeakPolarHBondContact O-CE 3.42Å; D542-M593 VanDerWaalsContact OD2-CB 3.3Å; D542-M593 WeakPolarHBondContact OD2-CB 3.39Å; D542-M593 WeakPolarHBondContact OD2-CE 3.45Å; D542-M593 PolarHBondContact OD2-N 3.28Å |
| 543 | I | 96.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | trans | -137.4 | 34.3 | 177.3 | 57.4 | 162.2 | 0 | 0 | 0 | 111.4 | S502 N504 Q507 V509 S553 C556 L571 | S502-I543 PolarHBondContact OG-N 2.87Å; N504-I543 PolarHBondContact ND2-O 3.09Å; Q507-I543 HydrophobicContact CB-CD1 3.81Å; Q507-I543 WeakPolarHBondContact O-CD1 3.32Å; V509-I543 HydrophobicContact CB-CG2 4.21Å; V509-I543 HydrophobicContact CG2-CD1 4.33Å; V509-I543 HydrophobicContact CG2-CG2 3.75Å; I543-S553 WeakPolarHBondContact O-CB 3.26Å; I543-C556 HydrophobicContact CG2-CB 3.85Å; I543-L571 HydrophobicContact CG2-CD1 3.92Å | ||
| 544 | T | 94.8 | Very high | 89.5 | Confident | 39 Ų | 39 | 46 Ų | 46 | 24% | 0.239 | 27% | 0.265 | C | S | . | . | trans | -58.2 | 127.6 | 174.6 | -64.3 | 0 | 0 | 0 | 0 | 109.6 | D542 S553 M593 | D542-T544 PolarHBondContact OD1-N 3.24Å; D542-T544 PolarHBondContact OD1-OG1 2.92Å; D542-T544 WeakPolarHBondContact OD2-CB 3.45Å; D542-T544 PolarHBondContact OD2-N 3.41Å; D542-T544 PolarHBondContact OD2-OG1 2.65Å; T544-S553 PolarHBondContact O-OG 3.15Å; T544-S553 VanDerWaalsContact O-OG 3.09Å; T544-M593 WeakPolarHBondContact CB-O 3.21Å; T544-M593 WeakPolarHBondContact CG2-O 3.45Å | ||
| 545 | P | 92.6 | Very high | 89.5 | Confident | 48 Ų | 48 | 45.2 Ų | 45.2 | 31% | 0.312 | 26% | 0.262 | S | S | . | . | trans | -69.3 | 135.9 | 176.4 | 27.6 | -32.9 | 0 | 0 | 0 | 110.2 | ||||
| 546 | L | 89.2 | Confident | 89.8 | Confident | 7 Ų | 7 | 39.9 Ų | 39.9 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | trans | -117.5 | 145.1 | 178.3 | -56 | 173.5 | 0 | 0 | 0 | 109.8 | S549 M593 H600 L616 I618 | L546-S549 PolarHBondContact O-OG 3.01Å; L546-M593 HydrophobicContact CD1-CB 4.09Å; L546-M593 HydrophobicContact CD1-SD 4.29Å; L546-M593 HydrophobicContact CD2-CB 4.1Å; L546-M593 HydrophobicContact CG-CB 4.34Å; L546-H600 HydrophobicContact CD1-CB 4.38Å; L546-L616 HydrophobicContact CD1-CD2 3.54Å; L546-L616 HydrophobicContact CD1-CG 4.48Å; L546-I618 HydrophobicContact CB-CD1 3.46Å; L546-I618 VanDerWaalsContact CB-CD1 3.46Å; L546-I618 HydrophobicContact CB-CG1 4.01Å; L546-I618 HydrophobicContact CD1-CD1 4.39Å; L546-I618 HydrophobicContact CD1-CG1 4.07Å | ||
| 547 | G | 79.5 | Confident | 90 | Very high | 46 Ų | 46 | 37.7 Ų | 37.7 | 47% | 0.474 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | -160 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S549 | G547-S549 PolarHBondContact O-N 2.86Š|
| 548 | D | 70.3 | Confident | 90.1 | Very high | 169 Ų | 169 | 33.9 Ų | 33.9 | 90% | 0.904 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 26 | -177.3 | -63.7 | -29.3 | 0 | 0 | 0 | 114.1 | N550 | D548-N550 PolarHBondContact O-N 3.26Š|
| 549 | S | 65 | Low | 90.1 | Very high | 38 Ų | 38 | 33.8 Ų | 33.8 | 27% | 0.266 | 21% | 0.208 | S | C | . | . | trans | -70.5 | 127.2 | 174.3 | 55.9 | 0 | 0 | 0 | 0 | 108.6 | L546 G547 G551 L552 | L546-S549 PolarHBondContact O-OG 3.01Å; G547-S549 PolarHBondContact O-N 2.86Å; S549-G551 PolarHBondContact O-N 3.43Å; S549-L552 WeakPolarHBondContact CB-O 3.27Å; S549-L552 PolarHBondContact OG-O 3.22Å; S549-L552 VanDerWaalsContact OG-O 3.13Å | ||
| 550 | N | 73.8 | Confident | 90.1 | Very high | 161 Ų | 161 | 33.1 Ų | 33.1 | 86% | 0.861 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -61.2 | 57.2 | -178.9 | -79.1 | -20.2 | 0 | 0 | 0 | 113.4 | D548 L552 | D548-N550 PolarHBondContact O-N 3.26Å; N550-L552 PolarHBondContact O-N 2.89Å |
| 551 | G | 80.2 | Confident | 89.7 | Confident | 21 Ų | 21 | 37.9 Ų | 37.9 | 22% | 0.216 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 74 | -1.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | S506 S549 | S506-G551 PolarHBondContact OG-O 2.83Å; S549-G551 PolarHBondContact O-N 3.43Å |
| 552 | L | 89.8 | Confident | 89.2 | Confident | 78 Ų | 78 | 41.9 Ų | 41.9 | 41% | 0.408 | 25% | 0.245 | S | C | . | . | trans | -99.6 | 120.8 | -178.1 | -71.8 | 168.9 | 0 | 0 | 0 | 110.7 | S506 Q507 S549 N550 P554 | S506-L552 VanDerWaalsContact OG-CD2 3.23Å; S506-L552 WeakPolarHBondContact OG-CD2 3.15Å; Q507-L552 HydrophobicContact CG-CD2 3.63Å; S549-L552 WeakPolarHBondContact CB-O 3.27Å; S549-L552 PolarHBondContact OG-O 3.22Å; S549-L552 VanDerWaalsContact OG-O 3.13Å; N550-L552 PolarHBondContact O-N 2.89Å; L552-P554 WeakPolarHBondContact O-CD 3.45Å | ||
| 553 | S | 94.1 | Very high | 88.9 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | trans | -78.2 | 124.4 | 169 | -163.8 | 0 | 0 | 0 | 0 | 110.8 | Q507 I543 T544 L555 | Q507-S553 PolarHBondContact NE2-O 3.35Å; Q507-S553 PolarHBondContact OE1-O 3.48Å; I543-S553 WeakPolarHBondContact O-CB 3.26Å; T544-S553 PolarHBondContact O-OG 3.15Å; T544-S553 VanDerWaalsContact O-OG 3.09Å; S553-L555 PolarHBondContact OG-N 3.03Å; S553-L555 PolarHBondContact OG-O 3.04Å | ||
| 554 | P | 93.7 | Very high | 88.6 | Confident | 51 Ų | 51 | 43.3 Ų | 43.3 | 33% | 0.331 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -76.5 | -12 | 171 | 30.1 | -30.9 | 0 | 0 | 0 | 112.1 | L552 L571 I618 | L552-P554 WeakPolarHBondContact O-CD 3.45Å; P554-L571 PolarHBondContact O-N 3.12Å; P554-I618 HydrophobicContact CG-CG2 4.14Å |
| 555 | L | 96.1 | Very high | 88.6 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 151.2 | -173.7 | -59.3 | -178.4 | 0 | 0 | 0 | 111.2 | S553 I568 L569 L577 M593 L616 | S553-L555 PolarHBondContact OG-N 3.03Å; S553-L555 PolarHBondContact OG-O 3.04Å; L555-I568 HydrophobicContact CB-CG2 4.35Å; L555-I568 HydrophobicContact CD1-CG2 4.15Å; L555-I568 HydrophobicContact CD2-CG2 3.89Å; L555-I568 HydrophobicContact CG-CG2 4.36Å; L555-L569 CarbonylContact C-O 3.47Å; L555-L569 WeakPolarHBondContact CA-O 3.43Å; L555-L577 HydrophobicContact CD2-CD1 3.49Å; L555-L577 VanDerWaalsContact CD2-CD1 3.49Å; L555-M593 HydrophobicContact CB-SD 4.2Å; L555-L616 HydrophobicContact CD1-CD1 4.19Å; L555-L616 HydrophobicContact CD1-CD2 4.33Å |
| 556 | C | 97.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 118.5 | 167.7 | 177.8 | 0 | 0 | 0 | 0 | 108.2 | D542 I543 L569 L571 | D542-C556 WeakPolarHBondContact O-CA 3.33Å; I543-C556 HydrophobicContact CG2-CB 3.85Å; C556-L569 HydrophobicContact CB-CB 4.34Å; C556-L569 PolarHBondContact N-O 3.2Å; C556-L569 PolarHBondContact O-N 2.87Å; C556-L571 HydrophobicContact CB-CD1 4.04Å; C556-L571 HydrophobicContact CB-CD2 4.07Å; C556-L571 HydrophobicContact CB-CG 3.89Å |
| 557 | A | 98 | Very high | 89.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 133.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | L541 D542 R567 I568 I591 M593 L602 | L541-A557 CarbonylContact C-O 3.58Å; L541-A557 VanDerWaalsContact CA-O 3.26Å; L541-A557 WeakPolarHBondContact CA-O 3.24Å; D542-A557 PolarHBondContact N-O 2.91Å; D542-A557 PolarHBondContact O-N 2.85Å; A557-R567 CarbonylContact C-O 3.56Å; A557-R567 WeakPolarHBondContact CA-O 3.47Å; A557-I568 HydrophobicContact CB-CD1 3.72Å; A557-I591 HydrophobicContact CB-CD1 3.8Å; A557-I591 HydrophobicContact CB-CG1 4.14Å; A557-M593 HydrophobicContact CB-CE 4.34Å; A557-M593 HydrophobicContact CB-CG 4.01Å; A557-M593 HydrophobicContact CB-SD 3.98Å; A557-L602 HydrophobicContact CB-CD1 3.54Å |
| 558 | I | 97.5 | Very high | 90 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 146.3 | 178.9 | 63 | 171.2 | 0 | 0 | 0 | 111.5 | L516 M534 V538 C540 L541 L560 A566 R567 L569 | L516-I558 HydrophobicContact CD1-CD1 4.28Å; L516-I558 HydrophobicContact CD1-CG2 4.48Å; M534-I558 HydrophobicContact CE-CD1 3.43Å; M534-I558 VanDerWaalsContact CE-CD1 3.43Å; M534-I558 HydrophobicContact CG-CD1 4.28Å; M534-I558 HydrophobicContact SD-CD1 3.92Å; V538-I558 HydrophobicContact CG1-CB 4.48Å; C540-I558 CarbonylContact O-C 3.11Å; C540-I558 WeakPolarHBondContact O-CA 3.09Å; L541-I558 HydrophobicContact CB-CG2 3.98Å; I558-L560 HydrophobicContact CD1-CD2 4.15Å; I558-A566 CarbonylContact O-C 3.46Å; I558-A566 WeakPolarHBondContact O-CA 3.3Å; I558-R567 HydrophobicContact CD1-CB 4.24Å; I558-R567 HydrophobicContact CG1-CB 3.77Å; I558-R567 PolarHBondContact N-O 2.75Å; I558-R567 PolarHBondContact O-N 2.77Å; I558-L569 HydrophobicContact CD1-CD1 3.73Å; I558-L569 HydrophobicContact CD1-CG 4.2Å; I558-L569 HydrophobicContact CG1-CD1 4.38Å; I558-L569 HydrophobicContact CG1-CG 4.47Å |
| 559 | G | 96.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 142.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A539 C540 S565 | A539-G559 PolarHBondContact N-O 2.56Å; C540-G559 PolarHBondContact O-N 3.47Å; G559-S565 CarbonylContact C-O 3.49Å; G559-S565 VanDerWaalsContact CA-O 3.29Å; G559-S565 WeakPolarHBondContact CA-O 3.21Å |
| 560 | L | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 147.2 | 179.8 | -62.7 | -174.8 | 0 | 0 | 0 | 112.5 | M534 H536 E537 V538 I558 D563 I564 S565 R567 | M534-L560 HydrophobicContact CB-CD2 4.42Å; M534-L560 HydrophobicContact CE-CD1 4.23Å; H536-L560 HydrophobicContact CB-CB 4.33Å; H536-L560 HydrophobicContact CB-CD1 4.3Å; E537-L560 WeakPolarHBondContact O-CA 3.13Å; V538-L560 HydrophobicContact CB-CD2 4.41Å; V538-L560 HydrophobicContact CG2-CD2 3.91Å; I558-L560 HydrophobicContact CD1-CD2 4.15Å; L560-D563 VanDerWaalsContact CB-OD1 3.27Å; L560-D563 WeakPolarHBondContact CB-OD1 3.14Å; L560-I564 WeakPolarHBondContact O-CA 3.36Å; L560-I564 PolarHBondContact O-N 3.18Å; L560-S565 PolarHBondContact N-O 3.44Å; L560-R567 VanDerWaalsContact CD1-CZ 3.45Å; L560-R567 VanDerWaalsContact CD1-NE 3.32Å |
| 561 | W | 87.6 | Confident | 93.7 | Very high | 105 Ų | 105 | 24.7 Ų | 24.7 | 40% | 0.398 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -57 | -176.7 | -81 | 62.8 | 0 | 0 | 0 | 113.8 | E537 A539 I564 I587 | E537-W561 HydrophobicContact CB-CB 4.44Å; E537-W561 HydrophobicContact CB-CG 4.37Å; E537-W561 PolarHBondContact O-N 3.24Å; A539-W561 HydrophobicContact CB-CG 4.28Å; W561-I564 WeakPolarHBondContact O-CG1 3.1Å; W561-I587 HydrophobicContact CB-CG2 4.32Å; W561-I587 HydrophobicContact CD2-CD1 3.62Å; W561-I587 HydrophobicContact CD2-CG2 4.49Å; W561-I587 HydrophobicContact CE3-CD1 3.79Å; W561-I587 HydrophobicContact CE3-CG2 4.46Å; W561-I587 HydrophobicContact CG-CD1 4.24Å; W561-I587 HydrophobicContact CG-CG2 4.45Å; W561-I587 HydrophobicContact CH2-CD1 3.99Å; W561-I587 HydrophobicContact CZ2-CD1 3.82Å; W561-I587 HydrophobicContact CZ3-CD1 3.97Å; W561-I587 WeakPolarHBondContact O-CG2 3.39Å |
| 562 | T | 87.7 | Confident | 94.4 | Very high | 98 Ų | 98 | 26.7 Ų | 26.7 | 60% | 0.601 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -39.2 | -163.9 | -51.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 563 | D | 90 | Very high | 94.6 | Very high | 25 Ų | 25 | 26.2 Ų | 26.2 | 13% | 0.134 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -3.8 | 176.6 | 74.1 | -16.7 | 0 | 0 | 0 | 112.7 | H536 L560 S565 R567 K579 M581 | H536-D563 IonicContact CD2-OD1 2.77Å; L560-D563 VanDerWaalsContact CB-OD1 3.27Å; L560-D563 WeakPolarHBondContact CB-OD1 3.14Å; D563-S565 VanDerWaalsContact C-N 3.28Å; D563-S565 PolarHBondContact O-N 2.96Å; D563-S565 WeakPolarHBondContact OD1-CB 3.45Å; D563-S565 PolarHBondContact OD1-OG 3.35Å; D563-S565 PolarHBondContact OD2-OG 3.01Å; D563-R567 IonicContact OD2-CZ 3.77Å; D563-R567 IonicContact OD2-NE 3.45Å; D563-R567 IonicContact OD2-NH2 3.68Å; D563-R567 PolarHBondContact OD2-NH2 2.83Å; D563-K579 WeakPolarHBondContact OD2-CE 3.39Å; D563-K579 IonicContact OD2-NZ 2.91Å; D563-K579 PolarHBondContact OD2-NZ 2.89Å; D563-M581 HydrophobicContact CB-CE 4.48Å; D563-M581 HydrophobicContact CB-SD 4.41Å |
| 564 | I | 91.9 | Very high | 94.7 | Very high | 17 Ų | 17 | 26.6 Ų | 26.6 | 9% | 0.087 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 53.3 | 176.6 | -51.4 | 171.5 | 0 | 0 | 0 | 109.7 | L560 W561 L582 G584 I586 I587 | L560-I564 WeakPolarHBondContact O-CA 3.36Å; L560-I564 PolarHBondContact O-N 3.18Å; W561-I564 WeakPolarHBondContact O-CG1 3.1Å; I564-L582 HydrophobicContact CG2-CB 4.27Å; I564-L582 WeakPolarHBondContact O-CB 3.41Å; I564-L582 PolarHBondContact O-N 3.47Å; I564-G584 WeakPolarHBondContact CD1-O 3.36Å; I564-I586 WeakPolarHBondContact CG2-O 3.33Å; I564-I587 HydrophobicContact CG1-CG2 4.47Å |
| 565 | S | 94.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 148.3 | -177.2 | 67.9 | 0 | 0 | 0 | 0 | 112.1 | G559 L560 D563 R567 E580 | G559-S565 CarbonylContact C-O 3.49Å; G559-S565 VanDerWaalsContact CA-O 3.29Å; G559-S565 WeakPolarHBondContact CA-O 3.21Å; L560-S565 PolarHBondContact N-O 3.44Å; D563-S565 VanDerWaalsContact C-N 3.28Å; D563-S565 PolarHBondContact O-N 2.96Å; D563-S565 WeakPolarHBondContact OD1-CB 3.45Å; D563-S565 PolarHBondContact OD1-OG 3.35Å; D563-S565 PolarHBondContact OD2-OG 3.01Å; S565-R567 PolarHBondContact OG-NE 3.32Å; S565-E580 CarbonylContact C-O 3.56Å; S565-E580 VanDerWaalsContact CA-O 3.23Å; S565-E580 WeakPolarHBondContact CA-O 3.28Å; S565-E580 WeakPolarHBondContact CB-O 3.17Å |
| 566 | A | 96 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 131.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | I558 E580 L582 I591 L602 | I558-A566 CarbonylContact O-C 3.46Å; I558-A566 WeakPolarHBondContact O-CA 3.3Å; A566-E580 PolarHBondContact N-O 3.02Å; A566-E580 PolarHBondContact O-N 3.24Å; A566-L582 HydrophobicContact CB-CD1 4.31Å; A566-L582 HydrophobicContact CB-CD2 4.08Å; A566-L582 HydrophobicContact CB-CG 4.34Å; A566-I591 HydrophobicContact CB-CD1 4.33Å; A566-L602 HydrophobicContact CB-CD2 4.37Å |
| 567 | R | 96.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 142.8 | -178.2 | -53.4 | -170.7 | -174.5 | -166.2 | 6.3 | 110.9 | E535 A557 I558 L560 D563 S565 L576 H578 K579 | E535-R567 IonicContact OE1-NH1 2.69Å; E535-R567 IonicContact OE2-CZ 2.85Å; E535-R567 IonicContact OE2-NH1 3.7Å; E535-R567 PolarHBondContact OE2-NH1 3.23Å; E535-R567 IonicContact OE2-NH2 3.69Å; E535-R567 PolarHBondContact OE2-NH2 3.48Å; A557-R567 CarbonylContact C-O 3.56Å; A557-R567 WeakPolarHBondContact CA-O 3.47Å; I558-R567 HydrophobicContact CD1-CB 4.24Å; I558-R567 HydrophobicContact CG1-CB 3.77Å; I558-R567 PolarHBondContact N-O 2.75Å; I558-R567 PolarHBondContact O-N 2.77Å; L560-R567 VanDerWaalsContact CD1-CZ 3.45Å; L560-R567 VanDerWaalsContact CD1-NE 3.32Å; D563-R567 IonicContact OD2-CZ 3.77Å; D563-R567 IonicContact OD2-NE 3.45Å; D563-R567 IonicContact OD2-NH2 3.68Å; D563-R567 PolarHBondContact OD2-NH2 2.83Å; S565-R567 PolarHBondContact OG-NE 3.32Å; R567-L576 HydrophobicContact CB-CD1 3.79Å; R567-L576 HydrophobicContact CG-CD1 4.21Å; R567-H578 VanDerWaalsContact CA-O 3.31Å; R567-H578 WeakPolarHBondContact CA-O 3.1Å; R567-K579 HydrophobicContact CG-CB 4.38Å; R567-K579 HydrophobicContact CG-CG 4.19Å |
| 568 | I | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.4 | 172.2 | -58.3 | -57.6 | 0 | 0 | 0 | 108.2 | L555 A557 L577 H578 L602 L616 L623 | L555-I568 HydrophobicContact CB-CG2 4.35Å; L555-I568 HydrophobicContact CD1-CG2 4.15Å; L555-I568 HydrophobicContact CD2-CG2 3.89Å; L555-I568 HydrophobicContact CG-CG2 4.36Å; A557-I568 HydrophobicContact CB-CD1 3.72Å; I568-L577 HydrophobicContact CG2-CB 4.35Å; I568-L577 HydrophobicContact CG2-CD1 4.3Å; I568-L577 PolarHBondContact O-N 3.33Å; I568-H578 HydrophobicContact CB-CB 4.36Å; I568-H578 PolarHBondContact N-O 3.1Å; I568-H578 PolarHBondContact O-N 2.81Å; I568-L602 HydrophobicContact CD1-CD1 4.18Å; I568-L602 HydrophobicContact CD1-CD2 3.98Å; I568-L616 HydrophobicContact CD1-CD1 4.35Å; I568-L616 HydrophobicContact CG1-CD1 4.29Å; I568-L623 HydrophobicContact CD1-CD2 4.38Å; I568-L623 HydrophobicContact CG1-CD1 4.4Å; I568-L623 HydrophobicContact CG1-CD2 4.05Å; I568-L623 HydrophobicContact CG1-CG 4.23Å |
| 569 | L | 97.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 148.7 | 177.7 | -53.3 | -176.5 | 0 | 0 | 0 | 110.1 | L516 M534 L555 C556 I558 F574 E575 L576 | L516-L569 HydrophobicContact CD1-CD1 3.82Å; M534-L569 HydrophobicContact SD-CD1 4.16Å; L555-L569 CarbonylContact C-O 3.47Å; L555-L569 WeakPolarHBondContact CA-O 3.43Å; C556-L569 HydrophobicContact CB-CB 4.34Å; C556-L569 PolarHBondContact N-O 3.2Å; C556-L569 PolarHBondContact O-N 2.87Å; I558-L569 HydrophobicContact CD1-CD1 3.73Å; I558-L569 HydrophobicContact CD1-CG 4.2Å; I558-L569 HydrophobicContact CG1-CD1 4.38Å; I558-L569 HydrophobicContact CG1-CG 4.47Å; L569-F574 HydrophobicContact CD1-CB 4.35Å; L569-F574 HydrophobicContact CD1-CD1 3.86Å; L569-E575 CarbonylContact C-O 3.43Å; L569-E575 VanDerWaalsContact CA-O 3.29Å; L569-E575 WeakPolarHBondContact CA-O 3.49Å; L569-L576 HydrophobicContact CD2-CB 4.04Å; L569-L576 HydrophobicContact CD2-CD1 3.67Å; L569-L576 HydrophobicContact CD2-CG 4.49Å |
| 570 | K | 95.9 | Very high | 94.6 | Very high | 97 Ų | 97 | 42.8 Ų | 42.8 | 42% | 0.422 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 131.4 | 172.3 | -172.2 | 173.9 | -179.8 | 174.5 | 0 | 110.9 | S573 F574 E575 L577 | K570-S573 PolarHBondContact O-N 3.13Å; K570-F574 VanDerWaalsContact O-CA 3.24Å; K570-F574 WeakPolarHBondContact O-CA 3.35Å; K570-F574 PolarHBondContact O-N 2.84Å; K570-E575 HydrophobicContact CB-CB 4.16Å; K570-E575 PolarHBondContact N-O 2.77Å; K570-L577 HydrophobicContact CB-CD1 4.05Å; K570-L577 HydrophobicContact CB-CD2 4.24Å; K570-L577 HydrophobicContact CB-CG 4.12Å |
| 571 | L | 94.8 | Very high | 94.5 | Very high | 13 Ų | 13 | 47 Ų | 47 | 7% | 0.068 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 142.4 | 168.1 | -68.9 | 177.5 | 0 | 0 | 0 | 110.5 | V509 Y518 I543 P554 C556 F574 | V509-L571 HydrophobicContact CG2-CD1 4.35Å; V509-L571 HydrophobicContact CG2-CD2 4.22Å; Y518-L571 HydrophobicContact CD2-CD1 4.23Å; Y518-L571 HydrophobicContact CD2-CD2 3.81Å; Y518-L571 HydrophobicContact CE2-CD1 4.01Å; Y518-L571 HydrophobicContact CE2-CD2 4.23Å; Y518-L571 HydrophobicContact CG-CD2 4.09Å; I543-L571 HydrophobicContact CG2-CD1 3.92Å; P554-L571 PolarHBondContact O-N 3.12Å; C556-L571 HydrophobicContact CB-CD1 4.04Å; C556-L571 HydrophobicContact CB-CD2 4.07Å; C556-L571 HydrophobicContact CB-CG 3.89Å; L571-F574 HydrophobicContact CD2-CD1 4.05Å; L571-F574 HydrophobicContact CD2-CE1 3.74Å; L571-F574 HydrophobicContact CD2-CZ 4.28Å |
| 572 | P | 93.7 | Very high | 94.7 | Very high | 63 Ų | 63 | 42 Ų | 42 | 41% | 0.409 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -90.6 | -0.9 | 4.1 | 37.4 | -37.7 | 0 | 0 | 0 | 114.6 | Y518 I529 S530 F574 | Y518-P572 HydrophobicContact CD1-CB 3.62Å; Y518-P572 HydrophobicContact CE1-CB 3.38Å; I529-P572 HydrophobicContact CG2-CB 4.04Å; S530-P572 VanDerWaalsContact CB-O 3.27Å; S530-P572 WeakPolarHBondContact CB-O 3.49Å; S530-P572 PolarHBondContact OG-O 3.18Å; P572-F574 PolarHBondContact O-N 3.42Å |
| 573 | S | 94.6 | Very high | 94.5 | Very high | 68 Ų | 68 | 39 Ų | 39 | 48% | 0.476 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -16.5 | -168.5 | 55.5 | 0 | 0 | 0 | 0 | 115.5 | K570 E575 | K570-S573 PolarHBondContact O-N 3.13Å; S573-E575 PolarHBondContact O-N 3.28Å; S573-E575 PolarHBondContact OG-N 3.2Å |
| 574 | F | 96.5 | Very high | 94.1 | Very high | 12 Ų | 12 | 41 Ų | 41 | 5% | 0.053 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 26.1 | -165.9 | -62.7 | -67.5 | 0 | 0 | 0 | 114.6 | V509 L516 Y518 S530 T532 L569 K570 L571 P572 L576 | V509-F574 HydrophobicContact CG1-CE1 4.2Å; V509-F574 HydrophobicContact CG1-CZ 4.32Å; V509-F574 HydrophobicContact CG2-CE1 4.5Å; L516-F574 HydrophobicContact CB-CE1 4.09Å; L516-F574 HydrophobicContact CB-CE2 4.29Å; L516-F574 HydrophobicContact CB-CZ 3.89Å; L516-F574 HydrophobicContact CD1-CD1 4.25Å; L516-F574 HydrophobicContact CD1-CE1 4.19Å; Y518-F574 VanDerWaalsContact CB-CZ 3.45Å; S530-F574 WeakPolarHBondContact OG-CE2 3.49Å; T532-F574 HydrophobicContact CG2-CB 3.49Å; T532-F574 VanDerWaalsContact CG2-CB 3.49Å; T532-F574 HydrophobicContact CG2-CD1 4.33Å; T532-F574 HydrophobicContact CG2-CD2 3.68Å; T532-F574 HydrophobicContact CG2-CE2 4.41Å; T532-F574 HydrophobicContact CG2-CG 3.61Å; L569-F574 HydrophobicContact CD1-CB 4.35Å; L569-F574 HydrophobicContact CD1-CD1 3.86Å; K570-F574 VanDerWaalsContact O-CA 3.24Å; K570-F574 WeakPolarHBondContact O-CA 3.35Å; K570-F574 PolarHBondContact O-N 2.84Å; L571-F574 HydrophobicContact CD2-CD1 4.05Å; L571-F574 HydrophobicContact CD2-CE1 3.74Å; L571-F574 HydrophobicContact CD2-CZ 4.28Å; P572-F574 PolarHBondContact O-N 3.42Å; F574-L576 PolarHBondContact O-N 2.69Å |
| 575 | E | 96 | Very high | 93.8 | Very high | 110 Ų | 110 | 49 Ų | 49 | 51% | 0.514 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 128.4 | 173.3 | -178.1 | -176.8 | -179.3 | 0 | 0 | 110.1 | L569 K570 S573 L577 | L569-E575 CarbonylContact C-O 3.43Å; L569-E575 VanDerWaalsContact CA-O 3.29Å; L569-E575 WeakPolarHBondContact CA-O 3.49Å; K570-E575 HydrophobicContact CB-CB 4.16Å; K570-E575 PolarHBondContact N-O 2.77Å; S573-E575 PolarHBondContact O-N 3.28Å; S573-E575 PolarHBondContact OG-N 3.2Å; E575-L577 PolarHBondContact O-N 2.87Å |
| 576 | L | 96.4 | Very high | 93.6 | Very high | 82 Ų | 82 | 52.2 Ų | 52.2 | 43% | 0.429 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 115.4 | 178.4 | 178.1 | 65.7 | 0 | 0 | 0 | 110.5 | R567 L569 F574 H578 K579 | R567-L576 HydrophobicContact CB-CD1 3.79Å; R567-L576 HydrophobicContact CG-CD1 4.21Å; L569-L576 HydrophobicContact CD2-CB 4.04Å; L569-L576 HydrophobicContact CD2-CD1 3.67Å; L569-L576 HydrophobicContact CD2-CG 4.49Å; F574-L576 PolarHBondContact O-N 2.69Å; L576-H578 WeakPolarHBondContact CD1-O 3.15Å; L576-K579 HydrophobicContact CD1-CB 4.41Å; L576-K579 HydrophobicContact CD2-CB 4.3Å |
| 577 | L | 96.3 | Very high | 93.5 | Very high | 50 Ų | 50 | 53.6 Ų | 53.6 | 26% | 0.262 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -44.6 | 177.5 | -61.2 | -179 | 0 | 0 | 0 | 111.9 | L555 I568 K570 E575 | L555-L577 HydrophobicContact CD2-CD1 3.49Å; L555-L577 VanDerWaalsContact CD2-CD1 3.49Å; I568-L577 HydrophobicContact CG2-CB 4.35Å; I568-L577 HydrophobicContact CG2-CD1 4.3Å; I568-L577 PolarHBondContact O-N 3.33Å; K570-L577 HydrophobicContact CB-CD1 4.05Å; K570-L577 HydrophobicContact CB-CD2 4.24Å; K570-L577 HydrophobicContact CB-CG 4.12Å; E575-L577 PolarHBondContact O-N 2.87Å |
| 578 | H | 96.7 | Very high | 93.4 | Very high | 36 Ų | 36 | 53.4 Ų | 53.4 | 17% | 0.167 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 141.7 | 179.5 | -167 | 77.1 | 0 | 0 | 0 | 111.3 | R567 I568 L576 E580 G621 | R567-H578 VanDerWaalsContact CA-O 3.31Å; R567-H578 WeakPolarHBondContact CA-O 3.1Å; I568-H578 HydrophobicContact CB-CB 4.36Å; I568-H578 PolarHBondContact N-O 3.1Å; I568-H578 PolarHBondContact O-N 2.81Å; L576-H578 WeakPolarHBondContact CD1-O 3.15Å; H578-E580 IonicContact NE2-OE2 2.72Å; H578-E580 PolarHBondContact NE2-OE2 2.91Å; H578-G621 VanDerWaalsContact CB-O 3.24Å; H578-G621 WeakPolarHBondContact CB-O 3.36Å |
| 579 | K | 95.3 | Very high | 93.3 | Very high | 78 Ų | 78 | 59.7 Ų | 59.7 | 34% | 0.339 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 116.4 | 173.8 | 175.2 | 176.4 | -178.6 | 171.1 | 0 | 108.7 | E535 D563 R567 L576 | E535-K579 IonicContact OE2-NZ 3.47Å; D563-K579 WeakPolarHBondContact OD2-CE 3.39Å; D563-K579 IonicContact OD2-NZ 2.91Å; D563-K579 PolarHBondContact OD2-NZ 2.89Å; R567-K579 HydrophobicContact CG-CB 4.38Å; R567-K579 HydrophobicContact CG-CG 4.19Å; L576-K579 HydrophobicContact CD1-CB 4.41Å; L576-K579 HydrophobicContact CD2-CB 4.3Å |
| 580 | E | 95.2 | Very high | 93.2 | Very high | 39 Ų | 39 | 60 Ų | 60 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 128.4 | 178.6 | -173.7 | 60.4 | -151.4 | 0 | 0 | 110.5 | S565 A566 H578 F614 L623 R626 | S565-E580 CarbonylContact C-O 3.56Å; S565-E580 VanDerWaalsContact CA-O 3.23Å; S565-E580 WeakPolarHBondContact CA-O 3.28Å; S565-E580 WeakPolarHBondContact CB-O 3.17Å; A566-E580 PolarHBondContact N-O 3.02Å; A566-E580 PolarHBondContact O-N 3.24Å; H578-E580 IonicContact NE2-OE2 2.72Å; H578-E580 PolarHBondContact NE2-OE2 2.91Å; E580-F614 HydrophobicContact CG-CD1 4.39Å; E580-F614 HydrophobicContact CG-CE1 3.53Å; E580-F614 HydrophobicContact CG-CZ 3.76Å; E580-L623 HydrophobicContact CB-CD1 3.93Å; E580-L623 HydrophobicContact CG-CD1 4.47Å; E580-R626 IonicContact OE1-NH1 3.91Å; E580-R626 PolarHBondContact OE1-NH1 2.96Å |
| 581 | M | 94.2 | Very high | 93.3 | Very high | 87 Ų | 87 | 55.9 Ų | 55.9 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 110.8 | -179.8 | -158.3 | 63.5 | 74.7 | 0 | 0 | 110 | D563 G583 R626 | D563-M581 HydrophobicContact CB-CE 4.48Å; D563-M581 HydrophobicContact CB-SD 4.41Å; M581-G583 VanDerWaalsContact C-N 3.34Å; M581-R626 PolarHBondContact O-NH1 2.84Å |
| 582 | L | 91.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | trans | -73.4 | -31.6 | -177 | -53.8 | 173.4 | 0 | 0 | 0 | 111 | I564 A566 P588 C604 L606 F612 F614 R626 | I564-L582 HydrophobicContact CG2-CB 4.27Å; I564-L582 WeakPolarHBondContact O-CB 3.41Å; I564-L582 PolarHBondContact O-N 3.47Å; A566-L582 HydrophobicContact CB-CD1 4.31Å; A566-L582 HydrophobicContact CB-CD2 4.08Å; A566-L582 HydrophobicContact CB-CG 4.34Å; L582-P588 HydrophobicContact CD1-CB 4.15Å; L582-P588 HydrophobicContact CD1-CG 4.42Å; L582-C604 VanDerWaalsContact CD1-SG 3.58Å; L582-L606 HydrophobicContact CD1-CD2 3.91Å; L582-F612 HydrophobicContact CB-CD2 4.36Å; L582-F612 HydrophobicContact CB-CE2 4.23Å; L582-F612 HydrophobicContact CD2-CB 4.13Å; L582-F612 HydrophobicContact CD2-CD2 4.15Å; L582-F612 HydrophobicContact CD2-CG 4.04Å; L582-F614 HydrophobicContact CD2-CE2 4.16Å; L582-F614 HydrophobicContact CD2-CZ 3.78Å; L582-R626 PolarHBondContact O-NH2 2.86Å | ||
| 583 | G | 83 | Confident | 93.6 | Very high | 35 Ų | 35 | 52.8 Ų | 52.8 | 36% | 0.361 | 28% | 0.282 | S | S | . | . | trans | 72.3 | 170 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M581 | M581-G583 VanDerWaalsContact C-N 3.34Š| ||
| 584 | G | 82.4 | Confident | 93.6 | Very high | 66 Ų | 66 | 49.8 Ų | 49.8 | 68% | 0.68 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 89.2 | -166.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I564 | I564-G584 WeakPolarHBondContact CD1-O 3.36Š|
| 585 | E | 85.2 | Confident | 93.4 | Very high | 184 Ų | 184 | 51.1 Ų | 51.1 | 86% | 0.86 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -112.4 | -4.6 | -177.8 | -61.6 | -174.7 | 172 | 0 | 0 | 113 | ||
| 586 | I | 90.5 | Very high | 93.1 | Very high | 69 Ų | 69 | 46 Ų | 46 | 35% | 0.354 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -102.6 | 128.4 | -173.8 | -54.8 | -60.9 | 0 | 0 | 0 | 110.4 | I564 L606 D608 | I564-I586 WeakPolarHBondContact CG2-O 3.33Å; I586-L606 HydrophobicContact CG2-CB 4.14Å; I586-D608 HydrophobicContact CG1-CB 4.19Å; I586-D608 HydrophobicContact CG2-CB 4.19Å |
| 587 | I | 93.4 | Very high | 92.4 | Very high | 28 Ų | 28 | 46.3 Ų | 46.3 | 14% | 0.144 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 152.8 | -177.6 | 65.8 | 174 | 0 | 0 | 0 | 112.8 | W561 I564 G607 | W561-I587 HydrophobicContact CB-CG2 4.32Å; W561-I587 HydrophobicContact CD2-CD1 3.62Å; W561-I587 HydrophobicContact CD2-CG2 4.49Å; W561-I587 HydrophobicContact CE3-CD1 3.79Å; W561-I587 HydrophobicContact CE3-CG2 4.46Å; W561-I587 HydrophobicContact CG-CD1 4.24Å; W561-I587 HydrophobicContact CG-CG2 4.45Å; W561-I587 HydrophobicContact CH2-CD1 3.99Å; W561-I587 HydrophobicContact CZ2-CD1 3.82Å; W561-I587 HydrophobicContact CZ3-CD1 3.97Å; W561-I587 WeakPolarHBondContact O-CG2 3.39Å; I564-I587 HydrophobicContact CG1-CG2 4.47Å; I587-G607 PolarHBondContact O-N 3.16Å |
| 588 | P | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 141.1 | 170.3 | 28.7 | -33.5 | 0 | 0 | 0 | 111.2 | A539 L582 L606 | A539-P588 HydrophobicContact CB-CG 4.1Å; A539-P588 WeakPolarHBondContact CB-O 3.45Å; L582-P588 HydrophobicContact CD1-CB 4.15Å; L582-P588 HydrophobicContact CD1-CG 4.42Å; P588-L606 HydrophobicContact CB-CD2 3.99Å |
| 589 | R | 94.5 | Very high | 91.4 | Very high | 132 Ų | 132 | 49.7 Ų | 49.7 | 50% | 0.498 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | -31.3 | -176.5 | -79 | -62.9 | -169.9 | 168.8 | -1.5 | 114 | A605 P635 | R589-A605 PolarHBondContact N-O 2.79Å; R589-P635 HydrophobicContact CG-CB 4.33Å |
| 590 | S | 96.2 | Very high | 91.3 | Very high | 10 Ų | 10 | 48.1 Ų | 48.1 | 7% | 0.07 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 134.2 | 175.9 | -171.7 | 0 | 0 | 0 | 0 | 109.1 | C604 A605 T636 L638 | S590-C604 CarbonylContact O-C 3.41Å; S590-C604 WeakPolarHBondContact O-CA 3.44Å; S590-A605 PolarHBondContact N-O 2.8Å; S590-A605 PolarHBondContact O-N 2.9Å; S590-T636 VanDerWaalsContact CB-O 3.25Å; S590-T636 WeakPolarHBondContact CB-O 3.28Å; S590-L638 PolarHBondContact OG-N 2.85Å |
| 591 | I | 97.3 | Very high | 91.3 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 5% | 0.051 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 138.9 | 173.4 | -164.1 | 165.4 | 0 | 0 | 0 | 108.1 | C540 D542 A557 A566 L602 L603 C604 | C540-I591 HydrophobicContact CB-CB 4.41Å; C540-I591 HydrophobicContact CB-CG2 3.98Å; D542-I591 HydrophobicContact CB-CG2 4.02Å; A557-I591 HydrophobicContact CB-CD1 3.8Å; A557-I591 HydrophobicContact CB-CG1 4.14Å; A566-I591 HydrophobicContact CB-CD1 4.33Å; I591-L602 HydrophobicContact CD1-CD1 4Å; I591-L602 HydrophobicContact CD1-CD2 4.31Å; I591-L602 HydrophobicContact CD1-CG 4.48Å; I591-L602 HydrophobicContact CG1-CD1 3.74Å; I591-L602 HydrophobicContact CG1-CG 4.34Å; I591-L603 CarbonylContact C-O 3.54Å; I591-L603 VanDerWaalsContact CA-O 3.28Å; I591-L603 WeakPolarHBondContact CA-O 3.48Å; I591-C604 HydrophobicContact CG1-CB 4.37Å |
| 592 | L | 97.6 | Very high | 91.5 | Very high | 10 Ų | 10 | 43.8 Ų | 43.8 | 5% | 0.052 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 124.3 | -174.6 | 178.8 | 66.2 | 0 | 0 | 0 | 109.9 | L603 L638 T640 V649 | L592-L603 PolarHBondContact N-O 2.75Å; L592-L603 PolarHBondContact O-N 2.84Å; L592-L638 HydrophobicContact CB-CB 4.05Å; L592-L638 HydrophobicContact CB-CD1 4.18Å; L592-L638 HydrophobicContact CD2-CB 3.8Å; L592-T640 HydrophobicContact CD1-CG2 4.36Å; L592-T640 HydrophobicContact CD2-CG2 4.03Å; L592-V649 HydrophobicContact CD2-CG1 3.84Å; L592-V649 HydrophobicContact CD2-CG2 3.83Å |
| 593 | M | 97.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 133.7 | 165.2 | -63.5 | -178.8 | -67.8 | 0 | 0 | 109.2 | D542 T544 L546 L555 A557 Y601 L602 L616 | D542-M593 WeakPolarHBondContact O-CE 3.42Å; D542-M593 VanDerWaalsContact OD2-CB 3.3Å; D542-M593 WeakPolarHBondContact OD2-CB 3.39Å; D542-M593 WeakPolarHBondContact OD2-CE 3.45Å; D542-M593 PolarHBondContact OD2-N 3.28Å; T544-M593 WeakPolarHBondContact CB-O 3.21Å; T544-M593 WeakPolarHBondContact CG2-O 3.45Å; L546-M593 HydrophobicContact CD1-CB 4.09Å; L546-M593 HydrophobicContact CD1-SD 4.29Å; L546-M593 HydrophobicContact CD2-CB 4.1Å; L546-M593 HydrophobicContact CG-CB 4.34Å; L555-M593 HydrophobicContact CB-SD 4.2Å; A557-M593 HydrophobicContact CB-CE 4.34Å; A557-M593 HydrophobicContact CB-CG 4.01Å; A557-M593 HydrophobicContact CB-SD 3.98Å; M593-Y601 WeakPolarHBondContact CA-O 3.32Å; M593-L602 HydrophobicContact CG-CD1 3.68Å; M593-L616 HydrophobicContact CG-CD2 3.99Å; M593-L616 HydrophobicContact SD-CD2 3.92Å |
| 594 | T | 95.3 | Very high | 92.5 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 169.5 | 178.3 | -166.7 | 0 | 0 | 0 | 0 | 111.5 | F596 H600 Y601 L603 V649 | T594-F596 HydrophobicContact CG2-CD2 3.76Å; T594-F596 HydrophobicContact CG2-CE2 3.25Å; T594-F596 HydrophobicContact CG2-CZ 3.85Å; T594-H600 WeakPolarHBondContact O-CA 3.32Å; T594-Y601 PolarHBondContact N-O 2.72Å; T594-Y601 PolarHBondContact O-N 3.28Å; T594-L603 HydrophobicContact CG2-CD1 3.57Å; T594-V649 HydrophobicContact CG2-CG2 3.95Å |
| 595 | T | 92.9 | Very high | 93.1 | Very high | 40 Ų | 40 | 38.9 Ų | 38.9 | 25% | 0.245 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129.5 | 176.2 | -52.4 | 0 | 0 | 0 | 0 | 109.7 | S599 H600 | T595-S599 CarbonylContact C-O 3.55Å; T595-S599 WeakPolarHBondContact CA-O 3.47Å; T595-H600 WeakPolarHBondContact CG2-ND1 3.44Å; T595-H600 PolarHBondContact OG1-CE1 3.42Å; T595-H600 PolarHBondContact OG1-ND1 2.84Å |
| 596 | F | 89.2 | Confident | 93.6 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 127.3 | 171.6 | -62.5 | -83.3 | 0 | 0 | 0 | 109.1 | T594 S598 S599 Y601 L603 T647 V649 I659 L666 | T594-F596 HydrophobicContact CG2-CD2 3.76Å; T594-F596 HydrophobicContact CG2-CE2 3.25Å; T594-F596 HydrophobicContact CG2-CZ 3.85Å; F596-S598 VanDerWaalsContact C-N 3.25Å; F596-S598 PolarHBondContact O-N 2.86Å; F596-S598 VanDerWaalsContact O-N 3.12Å; F596-S599 PolarHBondContact N-O 3.23Å; F596-S599 WeakPolarHBondContact O-CA 3.4Å; F596-S599 WeakPolarHBondContact O-CB 3.26Å; F596-S599 PolarHBondContact O-N 2.92Å; F596-Y601 HydrophobicContact CB-CE2 4.35Å; F596-Y601 AromaticContact CD2-CD2 3.69Å; F596-Y601 HydrophobicContact CD2-CD2 3.69Å; F596-Y601 HydrophobicContact CD2-CE2 4.18Å; F596-Y601 HydrophobicContact CD2-CG 4.37Å; F596-L603 HydrophobicContact CE2-CD1 4.4Å; F596-T647 WeakPolarHBondContact CD1-O 3.45Å; F596-V649 HydrophobicContact CE1-CG2 4.26Å; F596-V649 HydrophobicContact CE2-CG2 4.33Å; F596-V649 HydrophobicContact CZ-CB 4.08Å; F596-V649 HydrophobicContact CZ-CG2 3.56Å; F596-I659 WeakPolarHBondContact CE1-O 3.32Å; F596-I659 HydrophobicContact CZ-CG2 4.12Å; F596-L666 HydrophobicContact CB-CD2 4.08Å; F596-L666 HydrophobicContact CD1-CD2 4.16Å; F596-L666 HydrophobicContact CD2-CD2 3.35Å; F596-L666 HydrophobicContact CE1-CD2 4.37Å; F596-L666 HydrophobicContact CE2-CD1 4.25Å; F596-L666 HydrophobicContact CE2-CD2 3.6Å; F596-L666 HydrophobicContact CG-CD2 3.63Å; F596-L666 HydrophobicContact CZ-CD2 4.11Å |
| 597 | E | 81.1 | Confident | 93.6 | Very high | 87 Ų | 87 | 28 Ų | 28 | 41% | 0.407 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42.7 | 51.3 | 178.4 | -64.8 | 177.6 | 141.5 | 0 | 0 | 112.9 | S599 S661 H664 | E597-S599 PolarHBondContact O-N 2.74Å; E597-S599 VanDerWaalsContact O-N 3.1Å; E597-S661 WeakPolarHBondContact OE2-CB 2.95Å; E597-S661 PolarHBondContact OE2-OG 2.8Å; E597-H664 WeakPolarHBondContact OE2-CA 3.45Å; E597-H664 PolarHBondContact OE2-N 2.85Å; E597-H664 IonicContact OE2-ND1 3.48Å |
| 598 | S | 82 | Confident | 93.4 | Very high | 111 Ų | 111 | 29.6 Ų | 29.6 | 78% | 0.776 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66 | 3.9 | -178.8 | -51.2 | 0 | 0 | 0 | 0 | 116.6 | F596 | F596-S598 VanDerWaalsContact C-N 3.25Å; F596-S598 PolarHBondContact O-N 2.86Å; F596-S598 VanDerWaalsContact O-N 3.12Å |
| 599 | S | 89.5 | Confident | 93 | Very high | 46 Ų | 46 | 29.6 Ų | 29.6 | 32% | 0.322 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 133.8 | 174.7 | -64.1 | 0 | 0 | 0 | 0 | 111.1 | T595 F596 E597 Y601 | T595-S599 CarbonylContact C-O 3.55Å; T595-S599 WeakPolarHBondContact CA-O 3.47Å; F596-S599 PolarHBondContact N-O 3.23Å; F596-S599 WeakPolarHBondContact O-CA 3.4Å; F596-S599 WeakPolarHBondContact O-CB 3.26Å; F596-S599 PolarHBondContact O-N 2.92Å; E597-S599 PolarHBondContact O-N 2.74Å; E597-S599 VanDerWaalsContact O-N 3.1Å; S599-Y601 WeakPolarHBondContact O-CD2 3.31Å |
| 600 | H | 94.1 | Very high | 92.9 | Very high | 45 Ų | 45 | 23.3 Ų | 23.3 | 21% | 0.208 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 138 | -176.4 | -50.2 | -63.9 | 0 | 0 | 0 | 111.5 | L546 T594 T595 L616 I618 | L546-H600 HydrophobicContact CD1-CB 4.38Å; T594-H600 WeakPolarHBondContact O-CA 3.32Å; T595-H600 WeakPolarHBondContact CG2-ND1 3.44Å; T595-H600 PolarHBondContact OG1-CE1 3.42Å; T595-H600 PolarHBondContact OG1-ND1 2.84Å; H600-L616 HydrophobicContact CB-CB 4.44Å; H600-L616 WeakPolarHBondContact CB-O 3.28Å; H600-L616 PolarHBondContact O-N 3.15Å; H600-I618 HydrophobicContact CB-CG1 4.38Å; H600-I618 WeakPolarHBondContact CD2-CD1 3.49Å; H600-I618 WeakPolarHBondContact NE2-CD1 3.12Å |
| 601 | Y | 95.9 | Very high | 92.8 | Very high | 35 Ų | 35 | 22.9 Ų | 22.9 | 14% | 0.137 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 147.5 | -176.6 | -68.8 | -92 | 0 | 0 | 0 | 111.9 | M593 T594 F596 S599 Y613 F614 L666 | M593-Y601 WeakPolarHBondContact CA-O 3.32Å; T594-Y601 PolarHBondContact N-O 2.72Å; T594-Y601 PolarHBondContact O-N 3.28Å; F596-Y601 HydrophobicContact CB-CE2 4.35Å; F596-Y601 AromaticContact CD2-CD2 3.69Å; F596-Y601 HydrophobicContact CD2-CD2 3.69Å; F596-Y601 HydrophobicContact CD2-CE2 4.18Å; F596-Y601 HydrophobicContact CD2-CG 4.37Å; S599-Y601 WeakPolarHBondContact O-CD2 3.31Å; Y601-Y613 HydrophobicContact CD1-CD2 4.49Å; Y601-F614 CarbonylContact C-O 3.6Å; Y601-F614 VanDerWaalsContact CA-O 3.23Å; Y601-F614 WeakPolarHBondContact CA-O 3.34Å; Y601-F614 WeakPolarHBondContact CD1-O 3.48Å; Y601-L666 HydrophobicContact CD1-CD1 4.02Å; Y601-L666 HydrophobicContact CE1-CD1 4.09Å; Y601-L666 HydrophobicContact CE1-CG 4.39Å; Y601-L666 HydrophobicContact CE2-CD2 4.3Å; Y601-L666 HydrophobicContact CG-CD1 4.32Å |
| 602 | L | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 125.8 | 161.9 | -176.8 | 74.7 | 0 | 0 | 0 | 108.7 | A557 A566 I568 I591 M593 Y613 F614 L623 | A557-L602 HydrophobicContact CB-CD1 3.54Å; A566-L602 HydrophobicContact CB-CD2 4.37Å; I568-L602 HydrophobicContact CD1-CD1 4.18Å; I568-L602 HydrophobicContact CD1-CD2 3.98Å; I591-L602 HydrophobicContact CD1-CD1 4Å; I591-L602 HydrophobicContact CD1-CD2 4.31Å; I591-L602 HydrophobicContact CD1-CG 4.48Å; I591-L602 HydrophobicContact CG1-CD1 3.74Å; I591-L602 HydrophobicContact CG1-CG 4.34Å; M593-L602 HydrophobicContact CG-CD1 3.68Å; L602-Y613 CarbonylContact O-C 3.46Å; L602-Y613 WeakPolarHBondContact O-CA 3.42Å; L602-F614 HydrophobicContact CB-CB 4.44Å; L602-F614 HydrophobicContact CB-CD2 4.31Å; L602-F614 HydrophobicContact CD2-CD2 4.14Å; L602-F614 HydrophobicContact CG-CD2 4.46Å; L602-F614 PolarHBondContact N-O 3.29Å; L602-F614 PolarHBondContact O-N 3.45Å; L602-L623 HydrophobicContact CB-CD2 3.9Å; L602-L623 HydrophobicContact CD2-CD1 3.56Å; L602-L623 HydrophobicContact CD2-CD2 3.84Å; L602-L623 HydrophobicContact CD2-CG 4.37Å |
| 603 | L | 97.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 131.9 | 175.3 | -66.8 | 86.4 | 0 | 0 | 0 | 108.7 | I591 L592 T594 F596 L611 F612 L638 V649 I659 | I591-L603 CarbonylContact C-O 3.54Å; I591-L603 VanDerWaalsContact CA-O 3.28Å; I591-L603 WeakPolarHBondContact CA-O 3.48Å; L592-L603 PolarHBondContact N-O 2.75Å; L592-L603 PolarHBondContact O-N 2.84Å; T594-L603 HydrophobicContact CG2-CD1 3.57Å; F596-L603 HydrophobicContact CE2-CD1 4.4Å; L603-L611 HydrophobicContact CB-CD1 4.19Å; L603-L611 HydrophobicContact CD2-CD2 4.36Å; L603-F612 CarbonylContact C-O 3.6Å; L603-F612 WeakPolarHBondContact CA-O 3.36Å; L603-L638 HydrophobicContact CB-CD1 3.69Å; L603-V649 HydrophobicContact CD2-CG1 4.42Å; L603-I659 HydrophobicContact CD2-CD1 3.77Å |
| 604 | C | 97.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 105.5 | -177.2 | -170.4 | 0 | 0 | 0 | 0 | 110.4 | L582 S590 I591 F612 | L582-C604 VanDerWaalsContact CD1-SG 3.58Å; S590-C604 CarbonylContact O-C 3.41Å; S590-C604 WeakPolarHBondContact O-CA 3.44Å; I591-C604 HydrophobicContact CG1-CB 4.37Å; C604-F612 PolarHBondContact N-O 2.92Å; C604-F612 PolarHBondContact O-N 2.9Å |
| 605 | A | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 140.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R589 S590 A610 L611 T636 L638 | R589-A605 PolarHBondContact N-O 2.79Å; S590-A605 PolarHBondContact N-O 2.8Å; S590-A605 PolarHBondContact O-N 2.9Å; A605-A610 CarbonylContact C-O 3.51Å; A605-A610 WeakPolarHBondContact CA-O 3.32Å; A605-L611 HydrophobicContact CB-CD1 3.99Å; A605-T636 HydrophobicContact CB-CG2 4.42Å; A605-L638 HydrophobicContact CB-CD1 4.24Å; A605-L638 HydrophobicContact CB-CG 4.34Å |
| 606 | L | 94.2 | Very high | 92.6 | Very high | 5 Ų | 5 | 22.5 Ų | 22.5 | 3% | 0.026 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 168.9 | 177.1 | -60.2 | -165.5 | 0 | 0 | 0 | 111.6 | L582 I586 P588 D608 G609 A610 F612 | L582-L606 HydrophobicContact CD1-CD2 3.91Å; I586-L606 HydrophobicContact CG2-CB 4.14Å; P588-L606 HydrophobicContact CB-CD2 3.99Å; L606-D608 VanDerWaalsContact CB-OD1 3.25Å; L606-D608 WeakPolarHBondContact CB-OD1 3.21Å; L606-D608 PolarHBondContact O-N 3.22Å; L606-G609 PolarHBondContact O-N 3.14Å; L606-A610 HydrophobicContact CB-CB 4.39Å; L606-A610 HydrophobicContact CD1-CB 4.42Å; L606-A610 PolarHBondContact N-O 2.77Å; L606-F612 HydrophobicContact CD1-CD2 4.31Å; L606-F612 HydrophobicContact CD1-CE2 3.74Å; L606-F612 HydrophobicContact CG-CD2 4.24Å; L606-F612 HydrophobicContact CG-CE2 4.17Å |
| 607 | G | 90.6 | Very high | 92.8 | Very high | 20 Ų | 20 | 25.8 Ų | 25.8 | 21% | 0.206 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -7.1 | 178 | 0 | 0 | 0 | 0 | 0 | 116.3 | I587 P635 | I587-G607 PolarHBondContact O-N 3.16Å; G607-P635 VanDerWaalsContact O-CD 3.31Å; G607-P635 WeakPolarHBondContact O-CD 3.23Å; G607-P635 VanDerWaalsContact O-CG 3.31Å; G607-P635 WeakPolarHBondContact O-CG 3.49Å |
| 608 | D | 89.4 | Confident | 93.3 | Very high | 60 Ų | 60 | 23.5 Ų | 23.5 | 32% | 0.321 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 8.4 | -179.9 | 64.6 | -12.5 | 0 | 0 | 0 | 113 | I586 L606 A610 | I586-D608 HydrophobicContact CG1-CB 4.19Å; I586-D608 HydrophobicContact CG2-CB 4.19Å; L606-D608 VanDerWaalsContact CB-OD1 3.25Å; L606-D608 WeakPolarHBondContact CB-OD1 3.21Å; L606-D608 PolarHBondContact O-N 3.22Å; D608-A610 VanDerWaalsContact C-N 3.32Å; D608-A610 VanDerWaalsContact OD1-CB 3.23Å; D608-A610 WeakPolarHBondContact OD1-CB 3.32Å; D608-A610 PolarHBondContact OD1-N 3.12Å; D608-A610 VanDerWaalsContact OD1-N 3.08Å |
| 609 | G | 87.6 | Confident | 93.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 83.2 | 2.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L606 L631 G632 Q634 | L606-G609 PolarHBondContact O-N 3.14Å; G609-L631 PolarHBondContact O-N 3Å; G609-G632 PolarHBondContact O-N 3.27Å; G609-Q634 WeakPolarHBondContact CA-O 3.49Å; G609-Q634 PolarHBondContact N-O 2.93Å |
| 610 | A | 91.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 137.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.7 | A605 L606 D608 V629 | A605-A610 CarbonylContact C-O 3.51Å; A605-A610 WeakPolarHBondContact CA-O 3.32Å; L606-A610 HydrophobicContact CB-CB 4.39Å; L606-A610 HydrophobicContact CD1-CB 4.42Å; L606-A610 PolarHBondContact N-O 2.77Å; D608-A610 VanDerWaalsContact C-N 3.32Å; D608-A610 VanDerWaalsContact OD1-CB 3.23Å; D608-A610 WeakPolarHBondContact OD1-CB 3.32Å; D608-A610 PolarHBondContact OD1-N 3.12Å; D608-A610 VanDerWaalsContact OD1-N 3.08Å; A610-V629 CarbonylContact C-O 3.51Å |
| 611 | L | 94.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 123 | 175.4 | 178.2 | 67.6 | 0 | 0 | 0 | 109.9 | L603 A605 K628 V629 L631 L638 I659 F668 | L603-L611 HydrophobicContact CB-CD1 4.19Å; L603-L611 HydrophobicContact CD2-CD2 4.36Å; A605-L611 HydrophobicContact CB-CD1 3.99Å; L611-K628 WeakPolarHBondContact O-CA 3.4Å; L611-V629 PolarHBondContact N-O 3.04Å; L611-V629 PolarHBondContact O-N 3.23Å; L611-L631 HydrophobicContact CB-CD1 4.04Å; L611-L631 HydrophobicContact CB-CG 4.18Å; L611-L631 HydrophobicContact CD2-CD1 3.71Å; L611-L631 HydrophobicContact CD2-CG 4.44Å; L611-L631 HydrophobicContact CG-CD1 4.46Å; L611-L638 HydrophobicContact CD1-CD1 3.84Å; L611-L638 HydrophobicContact CD1-CD2 4.25Å; L611-I659 HydrophobicContact CD2-CD1 3.62Å; L611-F668 HydrophobicContact CD2-CE1 3.89Å |
| 612 | F | 95.1 | Very high | 93.7 | Very high | 8 Ų | 8 | 28.1 Ų | 28.1 | 4% | 0.035 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 141.6 | 163.8 | -71 | -86.2 | 0 | 0 | 0 | 110.2 | L582 L603 C604 L606 F614 R626 K627 K628 | L582-F612 HydrophobicContact CB-CD2 4.36Å; L582-F612 HydrophobicContact CB-CE2 4.23Å; L582-F612 HydrophobicContact CD2-CB 4.13Å; L582-F612 HydrophobicContact CD2-CD2 4.15Å; L582-F612 HydrophobicContact CD2-CG 4.04Å; L603-F612 CarbonylContact C-O 3.6Å; L603-F612 WeakPolarHBondContact CA-O 3.36Å; C604-F612 PolarHBondContact N-O 2.92Å; C604-F612 PolarHBondContact O-N 2.9Å; L606-F612 HydrophobicContact CD1-CD2 4.31Å; L606-F612 HydrophobicContact CD1-CE2 3.74Å; L606-F612 HydrophobicContact CG-CD2 4.24Å; L606-F612 HydrophobicContact CG-CE2 4.17Å; F612-F614 HydrophobicContact CB-CE2 3.77Å; F612-F614 HydrophobicContact CB-CZ 3.89Å; F612-R626 HydrophobicContact CD1-CG 4.41Å; F612-R626 VanDerWaalsContact CE1-NH2 3.3Å; F612-K627 VanDerWaalsContact CA-O 3.28Å; F612-K627 WeakPolarHBondContact CA-O 3.43Å; F612-K628 HydrophobicContact CD1-CB 3.92Å; F612-K628 HydrophobicContact CD1-CG 4.15Å; F612-K628 HydrophobicContact CE1-CB 3.66Å; F612-K628 HydrophobicContact CE1-CD 3.85Å; F612-K628 HydrophobicContact CE1-CG 3.72Å; F612-K628 HydrophobicContact CE2-CD 4.26Å; F612-K628 HydrophobicContact CE2-CG 4.25Å; F612-K628 HydrophobicContact CZ-CB 4.27Å; F612-K628 HydrophobicContact CZ-CD 3.59Å; F612-K628 HydrophobicContact CZ-CG 3.8Å |
| 613 | Y | 95.2 | Very high | 93.6 | Very high | 23 Ų | 23 | 29 Ų | 29 | 9% | 0.09 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 152.7 | 170.3 | 65.2 | -81.5 | 0 | 0 | 0 | 111.9 | Y601 L602 K627 V629 L666 F668 | Y601-Y613 HydrophobicContact CD1-CD2 4.49Å; L602-Y613 CarbonylContact O-C 3.46Å; L602-Y613 WeakPolarHBondContact O-CA 3.42Å; Y613-K627 HydrophobicContact CD1-CB 3.92Å; Y613-K627 HydrophobicContact CD2-CB 4.27Å; Y613-K627 HydrophobicContact CE1-CB 3.37Å; Y613-K627 HydrophobicContact CE1-CD 4.33Å; Y613-K627 HydrophobicContact CE1-CG 4.48Å; Y613-K627 HydrophobicContact CE2-CB 3.8Å; Y613-K627 HydrophobicContact CE2-CD 3.62Å; Y613-K627 HydrophobicContact CE2-CG 4.22Å; Y613-K627 HydrophobicContact CG-CB 4.35Å; Y613-K627 VanDerWaalsContact CZ-CD 3.42Å; Y613-K627 PolarHBondContact N-O 2.91Å; Y613-K627 PolarHBondContact O-N 3.04Å; Y613-K627 WeakPolarHBondContact OH-CD 3.46Å; Y613-V629 HydrophobicContact CE1-CG2 3.94Å; Y613-L666 HydrophobicContact CD2-CD1 3.81Å; Y613-L666 HydrophobicContact CE2-CD1 3.99Å; Y613-L666 HydrophobicContact CG-CD1 4.46Å; Y613-F668 HydrophobicContact CD1-CZ 4.23Å; Y613-F668 HydrophobicContact CE1-CE2 4.28Å; Y613-F668 AromaticContact CE1-CZ 3.76Å; Y613-F668 HydrophobicContact CE1-CZ 3.76Å |
| 614 | F | 96 | Very high | 93.4 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 146.2 | -170.6 | -49.5 | -92.9 | 0 | 0 | 0 | 109.7 | E580 L582 Y601 L602 F612 L623 S624 R626 | E580-F614 HydrophobicContact CG-CD1 4.39Å; E580-F614 HydrophobicContact CG-CE1 3.53Å; E580-F614 HydrophobicContact CG-CZ 3.76Å; L582-F614 HydrophobicContact CD2-CE2 4.16Å; L582-F614 HydrophobicContact CD2-CZ 3.78Å; Y601-F614 CarbonylContact C-O 3.6Å; Y601-F614 VanDerWaalsContact CA-O 3.23Å; Y601-F614 WeakPolarHBondContact CA-O 3.34Å; Y601-F614 WeakPolarHBondContact CD1-O 3.48Å; L602-F614 HydrophobicContact CB-CB 4.44Å; L602-F614 HydrophobicContact CB-CD2 4.31Å; L602-F614 HydrophobicContact CD2-CD2 4.14Å; L602-F614 HydrophobicContact CG-CD2 4.46Å; L602-F614 PolarHBondContact N-O 3.29Å; L602-F614 PolarHBondContact O-N 3.45Å; F612-F614 HydrophobicContact CB-CE2 3.77Å; F612-F614 HydrophobicContact CB-CZ 3.89Å; F614-L623 HydrophobicContact CB-CB 3.96Å; F614-L623 HydrophobicContact CB-CD1 4.45Å; F614-L623 HydrophobicContact CB-CD2 4.08Å; F614-L623 HydrophobicContact CB-CG 4.39Å; F614-L623 HydrophobicContact CD1-CB 4.15Å; F614-L623 HydrophobicContact CD1-CD1 4.38Å; F614-L623 HydrophobicContact CD2-CD1 4.24Å; F614-L623 HydrophobicContact CG-CB 4.17Å; F614-L623 HydrophobicContact CG-CD1 4.11Å; F614-S624 CarbonylContact C-O 3.59Å; F614-S624 VanDerWaalsContact CA-O 3.28Å; F614-S624 WeakPolarHBondContact CA-O 3.43Å; F614-S624 WeakPolarHBondContact CB-O 3.44Å; F614-R626 HydrophobicContact CD1-CB 3.79Å; F614-R626 HydrophobicContact CD1-CG 4.19Å; F614-R626 HydrophobicContact CE1-CB 3.58Å; F614-R626 HydrophobicContact CE1-CG 3.5Å; F614-R626 HydrophobicContact CZ-CG 4.21Å |
| 615 | G | 94.8 | Very high | 92.9 | Very high | 14 Ų | 14 | 37.2 Ų | 37.2 | 14% | 0.144 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 135.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | L623 S624 | G615-L623 CarbonylContact O-C 3.56Å; G615-L623 VanDerWaalsContact O-CA 3.29Å; G615-L623 WeakPolarHBondContact O-CA 3.36Å; G615-S624 PolarHBondContact N-O 3.08Å; G615-S624 PolarHBondContact O-N 2.96Å |
| 616 | L | 95.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 120.7 | -179.2 | 172.7 | 61.3 | 0 | 0 | 0 | 110 | L546 L555 I568 M593 H600 L623 | L546-L616 HydrophobicContact CD1-CD2 3.54Å; L546-L616 HydrophobicContact CD1-CG 4.48Å; L555-L616 HydrophobicContact CD1-CD1 4.19Å; L555-L616 HydrophobicContact CD1-CD2 4.33Å; I568-L616 HydrophobicContact CD1-CD1 4.35Å; I568-L616 HydrophobicContact CG1-CD1 4.29Å; M593-L616 HydrophobicContact CG-CD2 3.99Å; M593-L616 HydrophobicContact SD-CD2 3.92Å; H600-L616 HydrophobicContact CB-CB 4.44Å; H600-L616 WeakPolarHBondContact CB-O 3.28Å; H600-L616 PolarHBondContact O-N 3.15Å; L616-L623 HydrophobicContact CB-CD2 4.25Å; L616-L623 HydrophobicContact CD1-CD2 3.68Å |
| 617 | N | 94.2 | Very high | 92.4 | Very high | 73 Ų | 73 | 47 Ų | 47 | 39% | 0.39 | 25% | 0.245 | S | C | . | . | trans | -88 | 114.8 | 170.7 | -177.8 | -71.6 | 0 | 0 | 0 | 109.9 | E619 T620 G621 L622 | N617-E619 VanDerWaalsContact C-N 3.33Å; N617-E619 PolarHBondContact O-N 3.24Å; N617-E619 PolarHBondContact OD1-N 3.11Å; N617-E619 VanDerWaalsContact OD1-N 3.13Å; N617-T620 WeakPolarHBondContact CB-OG1 3.36Å; N617-T620 PolarHBondContact OD1-N 3.43Å; N617-T620 PolarHBondContact OD1-OG1 2.95Å; N617-G621 VanDerWaalsContact O-CA 3.27Å; N617-G621 WeakPolarHBondContact O-CA 3.42Å; N617-G621 PolarHBondContact O-N 2.84Å; N617-L622 PolarHBondContact N-O 3.13Å | ||
| 618 | I | 90.7 | Very high | 92.3 | Very high | 39 Ų | 39 | 51.8 Ų | 51.8 | 20% | 0.2 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -39.1 | -176.2 | -60.6 | 176.2 | 0 | 0 | 0 | 112.2 | L546 P554 H600 | L546-I618 HydrophobicContact CB-CD1 3.46Å; L546-I618 VanDerWaalsContact CB-CD1 3.46Å; L546-I618 HydrophobicContact CB-CG1 4.01Å; L546-I618 HydrophobicContact CD1-CD1 4.39Å; L546-I618 HydrophobicContact CD1-CG1 4.07Å; P554-I618 HydrophobicContact CG-CG2 4.14Å; H600-I618 HydrophobicContact CB-CG1 4.38Å; H600-I618 WeakPolarHBondContact CD2-CD1 3.49Å; H600-I618 WeakPolarHBondContact NE2-CD1 3.12Å |
| 619 | E | 89.7 | Confident | 92.1 | Very high | 182 Ų | 182 | 50.7 Ų | 50.7 | 85% | 0.85 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -38.1 | -173.7 | -61 | -175.6 | 168.6 | 0 | 0 | 112.6 | N617 | N617-E619 VanDerWaalsContact C-N 3.33Å; N617-E619 PolarHBondContact O-N 3.24Å; N617-E619 PolarHBondContact OD1-N 3.11Å; N617-E619 VanDerWaalsContact OD1-N 3.13Å |
| 620 | T | 92.9 | Very high | 92 | Very high | 63 Ų | 63 | 55 Ų | 55 | 39% | 0.387 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -20.5 | -174.2 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | N617 L622 | N617-T620 WeakPolarHBondContact CB-OG1 3.36Å; N617-T620 PolarHBondContact OD1-N 3.43Å; N617-T620 PolarHBondContact OD1-OG1 2.95Å; T620-L622 PolarHBondContact O-N 2.86Å; T620-L622 PolarHBondContact OG1-N 2.89Å |
| 621 | G | 92.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | 73.5 | 6 | -172 | 0 | 0 | 0 | 0 | 0 | 114.5 | H578 N617 | H578-G621 VanDerWaalsContact CB-O 3.24Å; H578-G621 WeakPolarHBondContact CB-O 3.36Å; N617-G621 VanDerWaalsContact O-CA 3.27Å; N617-G621 WeakPolarHBondContact O-CA 3.42Å; N617-G621 PolarHBondContact O-N 2.84Å | ||
| 622 | L | 95.3 | Very high | 91.1 | Very high | 89 Ų | 89 | 55.4 Ų | 55.4 | 47% | 0.466 | 28% | 0.284 | S | S | . | . | trans | -71.4 | 140.4 | -179.7 | -69.6 | 173.3 | 0 | 0 | 0 | 111.5 | N617 T620 | N617-L622 PolarHBondContact N-O 3.13Å; T620-L622 PolarHBondContact O-N 2.86Å; T620-L622 PolarHBondContact OG1-N 2.89Å | ||
| 623 | L | 96.1 | Very high | 90.6 | Very high | 19 Ų | 19 | 59.5 Ų | 59.5 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 133.5 | 173 | -58.8 | -177.8 | 0 | 0 | 0 | 110.4 | I568 E580 L602 F614 G615 L616 | I568-L623 HydrophobicContact CD1-CD2 4.38Å; I568-L623 HydrophobicContact CG1-CD1 4.4Å; I568-L623 HydrophobicContact CG1-CD2 4.05Å; I568-L623 HydrophobicContact CG1-CG 4.23Å; E580-L623 HydrophobicContact CB-CD1 3.93Å; E580-L623 HydrophobicContact CG-CD1 4.47Å; L602-L623 HydrophobicContact CB-CD2 3.9Å; L602-L623 HydrophobicContact CD2-CD1 3.56Å; L602-L623 HydrophobicContact CD2-CD2 3.84Å; L602-L623 HydrophobicContact CD2-CG 4.37Å; F614-L623 HydrophobicContact CB-CB 3.96Å; F614-L623 HydrophobicContact CB-CD1 4.45Å; F614-L623 HydrophobicContact CB-CD2 4.08Å; F614-L623 HydrophobicContact CB-CG 4.39Å; F614-L623 HydrophobicContact CD1-CB 4.15Å; F614-L623 HydrophobicContact CD1-CD1 4.38Å; F614-L623 HydrophobicContact CD2-CD1 4.24Å; F614-L623 HydrophobicContact CG-CB 4.17Å; F614-L623 HydrophobicContact CG-CD1 4.11Å; G615-L623 CarbonylContact O-C 3.56Å; G615-L623 VanDerWaalsContact O-CA 3.29Å; G615-L623 WeakPolarHBondContact O-CA 3.36Å; L616-L623 HydrophobicContact CB-CD2 4.25Å; L616-L623 HydrophobicContact CD1-CD2 3.68Å |
| 624 | S | 92.3 | Very high | 90.3 | Very high | 58 Ų | 58 | 62.5 Ų | 62.5 | 41% | 0.406 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 168.6 | 176.4 | 73.7 | 0 | 0 | 0 | 0 | 111.8 | F614 G615 R626 | F614-S624 CarbonylContact C-O 3.59Å; F614-S624 VanDerWaalsContact CA-O 3.28Å; F614-S624 WeakPolarHBondContact CA-O 3.43Å; F614-S624 WeakPolarHBondContact CB-O 3.44Å; G615-S624 PolarHBondContact N-O 3.08Å; G615-S624 PolarHBondContact O-N 2.96Å; S624-R626 PolarHBondContact O-N 2.85Å |
| 625 | D | 86.3 | Confident | 90 | Very high | 115 Ų | 115 | 65.8 Ų | 65.8 | 62% | 0.615 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.1 | 48.2 | 166.8 | -53.5 | -62.2 | 0 | 0 | 0 | 114.6 | K627 | D625-K627 PolarHBondContact O-N 2.85Å |
| 626 | R | 90.4 | Very high | 89.9 | Confident | 115 Ų | 115 | 65.1 Ų | 65.1 | 43% | 0.434 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.6 | 121.6 | 177.2 | 173.8 | 178.9 | 172 | 166.5 | 1.4 | 111 | E580 M581 L582 F612 F614 S624 | E580-R626 IonicContact OE1-NH1 3.91Å; E580-R626 PolarHBondContact OE1-NH1 2.96Å; M581-R626 PolarHBondContact O-NH1 2.84Å; L582-R626 PolarHBondContact O-NH2 2.86Å; F612-R626 HydrophobicContact CD1-CG 4.41Å; F612-R626 VanDerWaalsContact CE1-NH2 3.3Å; F614-R626 HydrophobicContact CD1-CB 3.79Å; F614-R626 HydrophobicContact CD1-CG 4.19Å; F614-R626 HydrophobicContact CE1-CB 3.58Å; F614-R626 HydrophobicContact CE1-CG 3.5Å; F614-R626 HydrophobicContact CZ-CG 4.21Å; S624-R626 PolarHBondContact O-N 2.85Å |
| 627 | K | 89 | Confident | 89.9 | Confident | 97 Ų | 97 | 66.3 Ų | 66.3 | 42% | 0.422 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 151.8 | 172.8 | -70 | -177.5 | -179.8 | -169.8 | 0 | 110.8 | F612 Y613 D625 | F612-K627 VanDerWaalsContact CA-O 3.28Å; F612-K627 WeakPolarHBondContact CA-O 3.43Å; Y613-K627 HydrophobicContact CD1-CB 3.92Å; Y613-K627 HydrophobicContact CD2-CB 4.27Å; Y613-K627 HydrophobicContact CE1-CB 3.37Å; Y613-K627 HydrophobicContact CE1-CD 4.33Å; Y613-K627 HydrophobicContact CE1-CG 4.48Å; Y613-K627 HydrophobicContact CE2-CB 3.8Å; Y613-K627 HydrophobicContact CE2-CD 3.62Å; Y613-K627 HydrophobicContact CE2-CG 4.22Å; Y613-K627 HydrophobicContact CG-CB 4.35Å; Y613-K627 VanDerWaalsContact CZ-CD 3.42Å; Y613-K627 PolarHBondContact N-O 2.91Å; Y613-K627 PolarHBondContact O-N 3.04Å; Y613-K627 WeakPolarHBondContact OH-CD 3.46Å; D625-K627 PolarHBondContact O-N 2.85Å |
| 628 | K | 88.7 | Confident | 90 | Very high | 120 Ų | 120 | 62.9 Ų | 62.9 | 52% | 0.522 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 129.8 | 178.7 | -172.7 | -172 | -178.8 | -178.1 | 0 | 109.4 | L611 F612 | L611-K628 WeakPolarHBondContact O-CA 3.4Å; F612-K628 HydrophobicContact CD1-CB 3.92Å; F612-K628 HydrophobicContact CD1-CG 4.15Å; F612-K628 HydrophobicContact CE1-CB 3.66Å; F612-K628 HydrophobicContact CE1-CD 3.85Å; F612-K628 HydrophobicContact CE1-CG 3.72Å; F612-K628 HydrophobicContact CE2-CD 4.26Å; F612-K628 HydrophobicContact CE2-CG 4.25Å; F612-K628 HydrophobicContact CZ-CB 4.27Å; F612-K628 HydrophobicContact CZ-CD 3.59Å; F612-K628 HydrophobicContact CZ-CG 3.8Å |
| 629 | V | 86.2 | Confident | 90.2 | Very high | 36 Ų | 36 | 65 Ų | 65 | 22% | 0.218 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 146 | 174.6 | 178.8 | 0 | 0 | 0 | 0 | 108.3 | A610 L611 Y613 L631 F668 | A610-V629 CarbonylContact C-O 3.51Å; L611-V629 PolarHBondContact N-O 3.04Å; L611-V629 PolarHBondContact O-N 3.23Å; Y613-V629 HydrophobicContact CE1-CG2 3.94Å; V629-L631 HydrophobicContact CG1-CD2 3.87Å; V629-F668 HydrophobicContact CG2-CE2 4.27Å; V629-F668 HydrophobicContact CG2-CZ 4.31Å |
| 630 | T | 84.7 | Confident | 90.4 | Very high | 91 Ų | 91 | 58.8 Ų | 58.8 | 56% | 0.558 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 117.3 | 173.6 | -56 | 0 | 0 | 0 | 0 | 108.4 | G632 | T630-G632 WeakPolarHBondContact CG2-O 3.07Å |
| 631 | L | 84.9 | Confident | 90.4 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | trans | -94.2 | -34 | -177.9 | -60.6 | -175.1 | 0 | 0 | 0 | 112.2 | G609 L611 V629 A651 R655 T657 F668 | G609-L631 PolarHBondContact O-N 3Å; L611-L631 HydrophobicContact CB-CD1 4.04Å; L611-L631 HydrophobicContact CB-CG 4.18Å; L611-L631 HydrophobicContact CD2-CD1 3.71Å; L611-L631 HydrophobicContact CD2-CG 4.44Å; L611-L631 HydrophobicContact CG-CD1 4.46Å; V629-L631 HydrophobicContact CG1-CD2 3.87Å; L631-A651 HydrophobicContact CD1-CB 3.55Å; L631-R655 WeakPolarHBondContact O-CB 3.11Å; L631-T657 HydrophobicContact CD2-CG2 4.1Å; L631-F668 HydrophobicContact CD2-CD1 3.79Å; L631-F668 HydrophobicContact CD2-CE1 4.39Å | ||
| 632 | G | 82.2 | Confident | 89.9 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | trans | -154.7 | -165.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G609 T630 D654 | G609-G632 PolarHBondContact O-N 3.27Å; T630-G632 WeakPolarHBondContact CG2-O 3.07Å; G632-D654 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 633 | T | 85.4 | Confident | 88.8 | Confident | 94 Ų | 94 | 62.3 Ų | 62.3 | 58% | 0.577 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -110.6 | -7.7 | 173.8 | 68.7 | 0 | 0 | 0 | 0 | 112.9 | D654 | T633-D654 WeakPolarHBondContact CB-OD2 3.01Å; T633-D654 PolarHBondContact N-OD1 3.24Å; T633-D654 PolarHBondContact N-OD2 2.87Å; T633-D654 PolarHBondContact OG1-OD2 2.91Å |
| 634 | Q | 88 | Confident | 87.4 | Confident | 85 Ų | 85 | 68.3 Ų | 68.3 | 40% | 0.397 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -113.2 | 162.9 | -178.8 | -63.1 | -167.2 | 12.8 | 0 | 0 | 112.2 | G609 T636 D654 | G609-Q634 WeakPolarHBondContact CA-O 3.49Å; G609-Q634 PolarHBondContact N-O 2.93Å; Q634-T636 PolarHBondContact O-N 2.76Å; Q634-D654 HydrophobicContact CB-CB 4.32Å; Q634-D654 HydrophobicContact CG-CB 4.05Å; Q634-D654 PolarHBondContact N-OD1 2.77Å |
| 635 | P | 90.3 | Very high | 86.2 | Confident | 71 Ų | 71 | 71.3 Ų | 71.3 | 46% | 0.461 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 127.5 | 177.4 | -25.3 | 32.5 | 0 | 0 | 0 | 113.1 | R589 G607 | R589-P635 HydrophobicContact CG-CB 4.33Å; G607-P635 VanDerWaalsContact O-CD 3.31Å; G607-P635 WeakPolarHBondContact O-CD 3.23Å; G607-P635 VanDerWaalsContact O-CG 3.31Å; G607-P635 WeakPolarHBondContact O-CG 3.49Å |
| 636 | T | 92.8 | Very high | 85.8 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -95.4 | 133.7 | -178.2 | -50.3 | 0 | 0 | 0 | 0 | 112.3 | S590 A605 Q634 L638 A651 C652 | S590-T636 VanDerWaalsContact CB-O 3.25Å; S590-T636 WeakPolarHBondContact CB-O 3.28Å; A605-T636 HydrophobicContact CB-CG2 4.42Å; Q634-T636 PolarHBondContact O-N 2.76Å; T636-L638 HydrophobicContact CG2-CD2 4.1Å; T636-A651 HydrophobicContact CG2-CB 3.6Å; T636-C652 CarbonylContact C-O 3.51Å; T636-C652 WeakPolarHBondContact CA-O 3.25Å; T636-C652 WeakPolarHBondContact CG2-O 3.49Å |
| 637 | V | 94.9 | Very high | 85.6 | Confident | 34 Ų | 34 | 65.8 Ų | 65.8 | 21% | 0.206 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.8 | 169.6 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | R639 C652 Y678 | V637-R639 HydrophobicContact CG1-CG 4.48Å; V637-C652 HydrophobicContact CB-CB 4.05Å; V637-C652 PolarHBondContact N-O 2.83Å; V637-C652 WeakPolarHBondContact O-CB 3.34Å; V637-C652 PolarHBondContact O-N 2.89Å; V637-Y678 HydrophobicContact CG2-CE1 4.44Å |
| 638 | L | 96.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 131.9 | -179.1 | -57.3 | 172 | 0 | 0 | 0 | 111 | S590 L592 L603 A605 L611 T636 V649 A651 | S590-L638 PolarHBondContact OG-N 2.85Å; L592-L638 HydrophobicContact CB-CB 4.05Å; L592-L638 HydrophobicContact CB-CD1 4.18Å; L592-L638 HydrophobicContact CD2-CB 3.8Å; L603-L638 HydrophobicContact CB-CD1 3.69Å; A605-L638 HydrophobicContact CB-CD1 4.24Å; A605-L638 HydrophobicContact CB-CG 4.34Å; L611-L638 HydrophobicContact CD1-CD1 3.84Å; L611-L638 HydrophobicContact CD1-CD2 4.25Å; T636-L638 HydrophobicContact CG2-CD2 4.1Å; L638-V649 HydrophobicContact CB-CG1 4.32Å; L638-V649 HydrophobicContact CD2-CG1 4.19Å; L638-A651 HydrophobicContact CD2-CB 3.89Å |
| 639 | R | 94.7 | Very high | 86.1 | Confident | 85 Ų | 85 | 55.6 Ų | 55.6 | 32% | 0.321 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 139 | 177.3 | -71.6 | -70.4 | 178.7 | -106.5 | 9.4 | 111.1 | V637 V649 F650 M679 | V637-R639 HydrophobicContact CG1-CG 4.48Å; R639-V649 CarbonylContact O-C 3.58Å; R639-V649 WeakPolarHBondContact O-CA 3.05Å; R639-F650 PolarHBondContact N-O 2.92Å; R639-F650 PolarHBondContact O-N 2.76Å; R639-M679 HydrophobicContact CB-CE 4.2Å; R639-M679 HydrophobicContact CB-CG 3.87Å; R639-M679 HydrophobicContact CB-SD 3.84Å; R639-M679 HydrophobicContact CG-CG 4.16Å; R639-M679 WeakPolarHBondContact CG-O 3.44Å |
| 640 | T | 93.7 | Very high | 86.5 | Confident | 51 Ų | 51 | 53.9 Ų | 53.9 | 31% | 0.313 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 146.6 | 170.5 | 48.3 | 0 | 0 | 0 | 0 | 110.5 | L592 T647 N648 V649 | L592-T640 HydrophobicContact CD1-CG2 4.36Å; L592-T640 HydrophobicContact CD2-CG2 4.03Å; T640-T647 HydrophobicContact CG2-CG2 4.26Å; T640-N648 CarbonylContact C-O 3.56Å; T640-N648 VanDerWaalsContact CA-O 3.31Å; T640-N648 WeakPolarHBondContact CA-O 3.46Å; T640-V649 HydrophobicContact CG2-CG2 4Å |
| 641 | F | 92.3 | Very high | 87 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 164.5 | 166 | 71.4 | -79.3 | 0 | 0 | 0 | 108.9 | N648 F650 V658 P681 L691 I704 | F641-N648 HydrophobicContact CD1-CB 4.16Å; F641-N648 HydrophobicContact CE1-CB 3.59Å; F641-N648 HydrophobicContact CE2-CB 4.11Å; F641-N648 HydrophobicContact CZ-CB 3.56Å; F641-N648 PolarHBondContact N-O 2.79Å; F641-N648 PolarHBondContact O-N 2.88Å; F641-N648 VanDerWaalsContact O-O 3.12Å; F641-F650 HydrophobicContact CD1-CB 4Å; F641-F650 HydrophobicContact CE1-CB 3.99Å; F641-F650 HydrophobicContact CE1-CD2 4.22Å; F641-V658 HydrophobicContact CE1-CG1 4.18Å; F641-V658 HydrophobicContact CE1-CG2 4.28Å; F641-V658 HydrophobicContact CZ-CG1 3.95Å; F641-V658 HydrophobicContact CZ-CG2 4.17Å; F641-P681 HydrophobicContact CB-CB 4.29Å; F641-L691 HydrophobicContact CB-CD2 3.88Å; F641-L691 HydrophobicContact CD2-CD2 4.04Å; F641-L691 HydrophobicContact CG-CD2 4.04Å; F641-I704 HydrophobicContact CE2-CD1 4.41Å; F641-I704 HydrophobicContact CE2-CG2 4.06Å; F641-I704 HydrophobicContact CZ-CD1 4.1Å |
| 642 | R | 83.8 | Confident | 87.5 | Confident | 192 Ų | 192 | 49.2 Ų | 49.2 | 73% | 0.725 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 140.5 | 174.8 | -71 | -175.8 | 178.5 | 170.3 | 0.7 | 110.3 | T646 | R642-T646 CarbonylContact C-O 3.45Å; R642-T646 WeakPolarHBondContact CA-O 3.33Å |
| 643 | S | 71.6 | Confident | 88 | Confident | 28 Ų | 28 | 49.2 Ų | 49.2 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 128.7 | 170.3 | 174.4 | 0 | 0 | 0 | 0 | 108.5 | S645 T646 | S643-S645 PolarHBondContact O-N 3.35Å; S643-S645 VanDerWaalsContact O-N 3.08Å; S643-T646 PolarHBondContact N-O 3.25Å; S643-T646 PolarHBondContact O-N 2.7Å; S643-T646 PolarHBondContact O-OG1 3.25Å |
| 644 | L | 66 | Low | 88.2 | Confident | 144 Ų | 144 | 46.2 Ų | 46.2 | 75% | 0.754 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 45.2 | 176.5 | -61 | 171.8 | 0 | 0 | 0 | 113.6 | T646 | L644-T646 VanDerWaalsContact C-N 3.33Å; L644-T646 PolarHBondContact O-N 2.83Å |
| 645 | S | 67.7 | Low | 88.1 | Confident | 121 Ų | 121 | 46.5 Ų | 46.5 | 85% | 0.846 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | -5 | -176.3 | 78.2 | 0 | 0 | 0 | 0 | 118 | S643 | S643-S645 PolarHBondContact O-N 3.35Å; S643-S645 VanDerWaalsContact O-N 3.08Å |
| 646 | T | 77.8 | Confident | 88.1 | Confident | 73 Ų | 73 | 43.1 Ų | 43.1 | 45% | 0.448 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 144.7 | 175.5 | 65.3 | 0 | 0 | 0 | 0 | 111.5 | R642 S643 L644 N648 | R642-T646 CarbonylContact C-O 3.45Å; R642-T646 WeakPolarHBondContact CA-O 3.33Å; S643-T646 PolarHBondContact N-O 3.25Å; S643-T646 PolarHBondContact O-N 2.7Å; S643-T646 PolarHBondContact O-OG1 3.25Å; L644-T646 VanDerWaalsContact C-N 3.33Å; L644-T646 PolarHBondContact O-N 2.83Å; T646-N648 PolarHBondContact OG1-ND2 2.75Å |
| 647 | T | 87.5 | Confident | 88 | Confident | 41 Ų | 41 | 43.1 Ų | 43.1 | 25% | 0.252 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 124.2 | 172.9 | -60.1 | 0 | 0 | 0 | 0 | 109.2 | F596 T640 | F596-T647 WeakPolarHBondContact CD1-O 3.45Å; T640-T647 HydrophobicContact CG2-CG2 4.26Å |
| 648 | N | 91.8 | Very high | 87.8 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 160.9 | -179.8 | -59.7 | -47.7 | 0 | 0 | 0 | 109.7 | T640 F641 T646 V658 Y660 I707 | T640-N648 CarbonylContact C-O 3.56Å; T640-N648 VanDerWaalsContact CA-O 3.31Å; T640-N648 WeakPolarHBondContact CA-O 3.46Å; F641-N648 HydrophobicContact CD1-CB 4.16Å; F641-N648 HydrophobicContact CE1-CB 3.59Å; F641-N648 HydrophobicContact CE2-CB 4.11Å; F641-N648 HydrophobicContact CZ-CB 3.56Å; F641-N648 PolarHBondContact N-O 2.79Å; F641-N648 PolarHBondContact O-N 2.88Å; F641-N648 VanDerWaalsContact O-O 3.12Å; T646-N648 PolarHBondContact OG1-ND2 2.75Å; N648-V658 HydrophobicContact CB-CG1 4.31Å; N648-Y660 WeakPolarHBondContact OD1-CB 3.27Å; N648-I707 WeakPolarHBondContact ND2-CD1 3.32Å |
| 649 | V | 95.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 128 | 175.4 | 173 | 0 | 0 | 0 | 0 | 109.2 | L592 T594 F596 L603 L638 R639 T640 V658 I659 | L592-V649 HydrophobicContact CD2-CG1 3.84Å; L592-V649 HydrophobicContact CD2-CG2 3.83Å; T594-V649 HydrophobicContact CG2-CG2 3.95Å; F596-V649 HydrophobicContact CE1-CG2 4.26Å; F596-V649 HydrophobicContact CE2-CG2 4.33Å; F596-V649 HydrophobicContact CZ-CB 4.08Å; F596-V649 HydrophobicContact CZ-CG2 3.56Å; L603-V649 HydrophobicContact CD2-CG1 4.42Å; L638-V649 HydrophobicContact CB-CG1 4.32Å; L638-V649 HydrophobicContact CD2-CG1 4.19Å; R639-V649 CarbonylContact O-C 3.58Å; R639-V649 WeakPolarHBondContact O-CA 3.05Å; T640-V649 HydrophobicContact CG2-CG2 4Å; V649-V658 CarbonylContact O-C 3.58Å; V649-V658 WeakPolarHBondContact O-CA 3.5Å; V649-I659 HydrophobicContact CB-CB 4.14Å; V649-I659 HydrophobicContact CB-CD1 4.43Å; V649-I659 HydrophobicContact CG1-CD1 4.11Å; V649-I659 PolarHBondContact N-O 2.71Å; V649-I659 PolarHBondContact O-N 3.43Å |
| 650 | F | 95.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 124.8 | 169.8 | -157.4 | -76.7 | 0 | 0 | 0 | 109.2 | R639 F641 P656 V658 V671 V676 M679 L691 L693 | R639-F650 PolarHBondContact N-O 2.92Å; R639-F650 PolarHBondContact O-N 2.76Å; F641-F650 HydrophobicContact CD1-CB 4Å; F641-F650 HydrophobicContact CE1-CB 3.99Å; F641-F650 HydrophobicContact CE1-CD2 4.22Å; F650-P656 HydrophobicContact CE1-CB 3.83Å; F650-P656 HydrophobicContact CZ-CB 3.85Å; F650-V658 HydrophobicContact CD2-CG2 3.77Å; F650-V658 HydrophobicContact CE2-CG2 4.07Å; F650-V671 HydrophobicContact CE2-CG2 3.88Å; F650-V671 HydrophobicContact CZ-CG2 4.09Å; F650-V676 HydrophobicContact CE1-CB 4.13Å; F650-V676 HydrophobicContact CE1-CG1 4Å; F650-V676 HydrophobicContact CE1-CG2 4.31Å; F650-V676 HydrophobicContact CZ-CG2 4.35Å; F650-M679 HydrophobicContact CB-CG 3.99Å; F650-M679 HydrophobicContact CB-SD 3.31Å; F650-M679 WeakPolarHBondContact CB-SD 3.42Å; F650-M679 HydrophobicContact CD1-CG 3.92Å; F650-M679 HydrophobicContact CD1-SD 4.22Å; F650-M679 HydrophobicContact CD2-SD 4.24Å; F650-M679 HydrophobicContact CG-CG 4.04Å; F650-M679 HydrophobicContact CG-SD 3.69Å; F650-L691 HydrophobicContact CD2-CD1 4.46Å; F650-L693 HydrophobicContact CE2-CD2 4.5Å; F650-L693 HydrophobicContact CZ-CD2 4.32Å |
| 651 | A | 95.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 101.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | L631 T636 L638 S653 P656 T657 | L631-A651 HydrophobicContact CD1-CB 3.55Å; T636-A651 HydrophobicContact CG2-CB 3.6Å; L638-A651 HydrophobicContact CD2-CB 3.89Å; A651-S653 PolarHBondContact O-N 3.41Å; A651-P656 WeakPolarHBondContact O-CA 3.23Å; A651-T657 WeakPolarHBondContact CB-O 3.42Å; A651-T657 PolarHBondContact N-O 3.39Å; A651-T657 PolarHBondContact O-N 2.98Å |
| 652 | C | 94.9 | Very high | 85.4 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 117.9 | 177.1 | -53.4 | 0 | 0 | 0 | 0 | 109.1 | T636 V637 V676 M679 | T636-C652 CarbonylContact C-O 3.51Å; T636-C652 WeakPolarHBondContact CA-O 3.25Å; T636-C652 WeakPolarHBondContact CG2-O 3.49Å; V637-C652 HydrophobicContact CB-CB 4.05Å; V637-C652 PolarHBondContact N-O 2.83Å; V637-C652 WeakPolarHBondContact O-CB 3.34Å; V637-C652 PolarHBondContact O-N 2.89Å; C652-V676 CarbonylContact C-O 3.58Å; C652-V676 VanDerWaalsContact CA-O 3.28Å; C652-V676 WeakPolarHBondContact CA-O 3.37Å; C652-V676 HydrophobicContact CB-CG1 4.16Å; C652-V676 WeakPolarHBondContact CB-O 3.43Å; C652-M679 WeakPolarHBondContact SG-CG 3.2Å |
| 653 | S | 92.1 | Very high | 84.4 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -159.4 | -169.7 | 175.6 | 64.7 | 0 | 0 | 0 | 0 | 110.5 | A651 R655 E675 V676 | A651-S653 PolarHBondContact O-N 3.41Å; S653-R655 PolarHBondContact O-N 2.81Å; S653-R655 PolarHBondContact OG-N 2.74Å; S653-R655 PolarHBondContact OG-O 3.18Å; S653-E675 WeakPolarHBondContact O-CA 3.45Å; S653-V676 PolarHBondContact N-O 3.45Å; S653-V676 PolarHBondContact O-N 3.29Å |
| 654 | D | 89.2 | Confident | 84.2 | Confident | 31 Ų | 31 | 39.9 Ų | 39.9 | 17% | 0.166 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -67.8 | -4.3 | 165.2 | 62.4 | -40.6 | 0 | 0 | 0 | 113.9 | G632 T633 Q634 K674 | G632-D654 WeakPolarHBondContact CA-OD1 3.45Å; T633-D654 WeakPolarHBondContact CB-OD2 3.01Å; T633-D654 PolarHBondContact N-OD1 3.24Å; T633-D654 PolarHBondContact N-OD2 2.87Å; T633-D654 PolarHBondContact OG1-OD2 2.91Å; Q634-D654 HydrophobicContact CB-CB 4.32Å; Q634-D654 HydrophobicContact CG-CB 4.05Å; Q634-D654 PolarHBondContact N-OD1 2.77Å; D654-K674 CarbonylContact C-O 3.6Å |
| 655 | R | 86.2 | Confident | 84.3 | Confident | 90 Ų | 90 | 36.4 Ų | 36.4 | 34% | 0.34 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -141.5 | 76.7 | 170.7 | -71.2 | -174.4 | -176.2 | 157 | -2.4 | 108.4 | L631 S653 T657 | L631-R655 WeakPolarHBondContact O-CB 3.11Å; S653-R655 PolarHBondContact O-N 2.81Å; S653-R655 PolarHBondContact OG-N 2.74Å; S653-R655 PolarHBondContact OG-O 3.18Å; R655-T657 PolarHBondContact O-N 3.37Å; R655-T657 PolarHBondContact O-OG1 2.84Å |
| 656 | P | 91.4 | Very high | 85 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | trans | -53.8 | 127.9 | -175.2 | -23.5 | 34 | 0 | 0 | 0 | 110.3 | F650 A651 V671 L673 V676 | F650-P656 HydrophobicContact CE1-CB 3.83Å; F650-P656 HydrophobicContact CZ-CB 3.85Å; A651-P656 WeakPolarHBondContact O-CA 3.23Å; P656-V671 HydrophobicContact CB-CB 4.17Å; P656-V671 PolarHBondContact O-N 3.01Å; P656-L673 VanDerWaalsContact CD-O 3.28Å; P656-L673 WeakPolarHBondContact CD-O 3.3Å; P656-L673 HydrophobicContact CG-CB 4.21Å; P656-V676 HydrophobicContact CB-CB 4.25Å; P656-V676 HydrophobicContact CB-CG2 4.04Å; P656-V676 HydrophobicContact CG-CB 3.92Å; P656-V676 HydrophobicContact CG-CG2 3.67Å | ||
| 657 | T | 89.5 | Confident | 85 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 135.5 | -173.6 | -58.1 | 0 | 0 | 0 | 0 | 110.3 | L631 A651 R655 F668 S669 N670 | L631-T657 HydrophobicContact CD2-CG2 4.1Å; A651-T657 WeakPolarHBondContact CB-O 3.42Å; A651-T657 PolarHBondContact N-O 3.39Å; A651-T657 PolarHBondContact O-N 2.98Å; R655-T657 PolarHBondContact O-N 3.37Å; R655-T657 PolarHBondContact O-OG1 2.84Å; T657-F668 HydrophobicContact CG2-CB 3.99Å; T657-F668 HydrophobicContact CG2-CD1 4.39Å; T657-S669 CarbonylContact C-O 3.56Å; T657-S669 WeakPolarHBondContact CA-O 3.13Å; T657-N670 PolarHBondContact OG1-OD1 3.05Å |
| 658 | V | 90.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 132.9 | 167.6 | 174.6 | 0 | 0 | 0 | 0 | 109.5 | I394 F641 N648 V649 F650 Y660 S669 V671 I704 I707 | I394-V658 HydrophobicContact CD1-CB 3.79Å; I394-V658 HydrophobicContact CD1-CG1 4.32Å; I394-V658 HydrophobicContact CD1-CG2 4.14Å; F641-V658 HydrophobicContact CE1-CG1 4.18Å; F641-V658 HydrophobicContact CE1-CG2 4.28Å; F641-V658 HydrophobicContact CZ-CG1 3.95Å; F641-V658 HydrophobicContact CZ-CG2 4.17Å; N648-V658 HydrophobicContact CB-CG1 4.31Å; V649-V658 CarbonylContact O-C 3.58Å; V649-V658 WeakPolarHBondContact O-CA 3.5Å; F650-V658 HydrophobicContact CD2-CG2 3.77Å; F650-V658 HydrophobicContact CE2-CG2 4.07Å; V658-Y660 HydrophobicContact CG1-CD1 4.3Å; V658-S669 PolarHBondContact N-O 3.41Å; V658-S669 PolarHBondContact O-N 3.09Å; V658-V671 HydrophobicContact CG2-CG2 3.63Å; V658-I704 HydrophobicContact CG2-CD1 3.71Å; V658-I707 HydrophobicContact CG1-CD1 4.1Å |
| 659 | I | 90.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 119.9 | 175.1 | -44.7 | 172.8 | 0 | 0 | 0 | 106.9 | F596 L603 L611 V649 L666 V667 F668 | F596-I659 WeakPolarHBondContact CE1-O 3.32Å; F596-I659 HydrophobicContact CZ-CG2 4.12Å; L603-I659 HydrophobicContact CD2-CD1 3.77Å; L611-I659 HydrophobicContact CD2-CD1 3.62Å; V649-I659 HydrophobicContact CB-CB 4.14Å; V649-I659 HydrophobicContact CB-CD1 4.43Å; V649-I659 HydrophobicContact CG1-CD1 4.11Å; V649-I659 PolarHBondContact N-O 2.71Å; V649-I659 PolarHBondContact O-N 3.43Å; I659-L666 HydrophobicContact CG2-CB 4.19Å; I659-L666 HydrophobicContact CG2-CD1 4.36Å; I659-V667 WeakPolarHBondContact CA-O 3.5Å; I659-F668 HydrophobicContact CB-CD1 4.47Å; I659-F668 HydrophobicContact CB-CE1 4.46Å; I659-F668 HydrophobicContact CD1-CD1 4.15Å; I659-F668 HydrophobicContact CD1-CE1 3.81Å; I659-F668 HydrophobicContact CG1-CD1 3.73Å; I659-F668 HydrophobicContact CG1-CE1 3.83Å; I659-F668 HydrophobicContact CG2-CD1 4.22Å; I659-F668 HydrophobicContact CG2-CE1 3.88Å; I659-F668 HydrophobicContact CG2-CZ 4.3Å |
| 660 | Y | 87.1 | Confident | 83.7 | Confident | 29 Ų | 29 | 35.8 Ų | 35.8 | 11% | 0.114 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 164.8 | -179.9 | 64.3 | -77.5 | 0 | 0 | 0 | 109.1 | N648 V658 L666 V667 S669 I707 | N648-Y660 WeakPolarHBondContact OD1-CB 3.27Å; V658-Y660 HydrophobicContact CG1-CD1 4.3Å; Y660-L666 CarbonylContact O-C 3.55Å; Y660-L666 WeakPolarHBondContact O-CA 3.45Å; Y660-V667 HydrophobicContact CD1-CB 4.21Å; Y660-V667 HydrophobicContact CD2-CB 4.47Å; Y660-V667 HydrophobicContact CE1-CB 3.67Å; Y660-V667 HydrophobicContact CE1-CG1 3.66Å; Y660-V667 HydrophobicContact CE2-CB 4Å; Y660-V667 HydrophobicContact CE2-CG1 4.38Å; Y660-V667 HydrophobicContact CE2-CG2 4.39Å; Y660-V667 PolarHBondContact N-O 3.02Å; Y660-V667 PolarHBondContact O-N 2.77Å; Y660-V667 WeakPolarHBondContact OH-CG1 3.41Å; Y660-S669 WeakPolarHBondContact CE1-OG 3.2Å; Y660-I707 HydrophobicContact CD1-CG2 3.42Å; Y660-I707 VanDerWaalsContact CD1-CG2 3.42Å; Y660-I707 HydrophobicContact CD2-CG2 3.84Å; Y660-I707 HydrophobicContact CE1-CG2 3.18Å; Y660-I707 HydrophobicContact CE2-CG2 3.61Å; Y660-I707 HydrophobicContact CG-CD1 4.23Å; Y660-I707 HydrophobicContact CG-CG2 3.74Å |
| 661 | S | 81.4 | Confident | 83.2 | Confident | 21 Ų | 21 | 36.1 Ų | 36.1 | 15% | 0.147 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 135.7 | 173.9 | -168.7 | 0 | 0 | 0 | 0 | 111 | E597 K665 | E597-S661 WeakPolarHBondContact OE2-CB 2.95Å; E597-S661 PolarHBondContact OE2-OG 2.8Å; S661-K665 VanDerWaalsContact CA-O 3.27Å; S661-K665 WeakPolarHBondContact CA-O 3.43Å; S661-K665 PolarHBondContact OG-N 3.32Å; S661-K665 PolarHBondContact OG-O 3.47Å |
| 662 | S | 67.7 | Low | 82.4 | Confident | 54 Ų | 54 | 37.9 Ų | 37.9 | 38% | 0.378 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 121.7 | 172 | 177.5 | 0 | 0 | 0 | 0 | 107.2 | H664 K665 | S662-H664 PolarHBondContact O-N 3.49Å; S662-K665 PolarHBondContact N-O 2.7Å; S662-K665 PolarHBondContact O-N 2.81Å |
| 663 | N | 62.9 | Low | 81.9 | Confident | 104 Ų | 104 | 40.7 Ų | 40.7 | 56% | 0.556 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 44.5 | -177.2 | -62.7 | -25.2 | 0 | 0 | 0 | 113.4 | K665 D1099 | N663-K665 PolarHBondContact O-N 2.77Å; N663-D1099 PolarHBondContact ND2-OD1 3.47Å |
| 664 | H | 67.2 | Low | 81.5 | Confident | 121 Ų | 121 | 48.4 Ų | 48.4 | 56% | 0.56 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 25.4 | -178.6 | -47.4 | -67.1 | 0 | 0 | 0 | 114.6 | E597 S662 | E597-H664 WeakPolarHBondContact OE2-CA 3.45Å; E597-H664 PolarHBondContact OE2-N 2.85Å; E597-H664 IonicContact OE2-ND1 3.48Å; S662-H664 PolarHBondContact O-N 3.49Å |
| 665 | K | 67.9 | Low | 81.5 | Confident | 70 Ų | 70 | 49.1 Ų | 49.1 | 30% | 0.304 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 141.6 | 176.2 | -68.9 | -179.1 | 179.6 | 171.4 | 0 | 111 | S661 S662 N663 L1098 | S661-K665 VanDerWaalsContact CA-O 3.27Å; S661-K665 WeakPolarHBondContact CA-O 3.43Å; S661-K665 PolarHBondContact OG-N 3.32Å; S661-K665 PolarHBondContact OG-O 3.47Å; S662-K665 PolarHBondContact N-O 2.7Å; S662-K665 PolarHBondContact O-N 2.81Å; N663-K665 PolarHBondContact O-N 2.77Å; K665-L1098 PolarHBondContact NZ-O 3.1Å |
| 666 | L | 82.3 | Confident | 81.9 | Confident | 22 Ų | 22 | 45 Ų | 45 | 12% | 0.115 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 123.9 | 175.1 | -56.1 | -174.5 | 0 | 0 | 0 | 111.1 | F596 Y601 Y613 I659 Y660 F668 | F596-L666 HydrophobicContact CB-CD2 4.08Å; F596-L666 HydrophobicContact CD1-CD2 4.16Å; F596-L666 HydrophobicContact CD2-CD2 3.35Å; F596-L666 HydrophobicContact CE1-CD2 4.37Å; F596-L666 HydrophobicContact CE2-CD1 4.25Å; F596-L666 HydrophobicContact CE2-CD2 3.6Å; F596-L666 HydrophobicContact CG-CD2 3.63Å; F596-L666 HydrophobicContact CZ-CD2 4.11Å; Y601-L666 HydrophobicContact CD1-CD1 4.02Å; Y601-L666 HydrophobicContact CE1-CD1 4.09Å; Y601-L666 HydrophobicContact CE1-CG 4.39Å; Y601-L666 HydrophobicContact CE2-CD2 4.3Å; Y601-L666 HydrophobicContact CG-CD1 4.32Å; Y613-L666 HydrophobicContact CD2-CD1 3.81Å; Y613-L666 HydrophobicContact CE2-CD1 3.99Å; Y613-L666 HydrophobicContact CG-CD1 4.46Å; I659-L666 HydrophobicContact CG2-CB 4.19Å; I659-L666 HydrophobicContact CG2-CD1 4.36Å; Y660-L666 CarbonylContact O-C 3.55Å; Y660-L666 WeakPolarHBondContact O-CA 3.45Å; L666-F668 HydrophobicContact CB-CE2 4.31Å; L666-F668 HydrophobicContact CB-CZ 4.4Å |
| 667 | V | 79.7 | Confident | 82 | Confident | 47 Ų | 47 | 46.5 Ų | 46.5 | 29% | 0.285 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 142.4 | 173.6 | -177 | 0 | 0 | 0 | 0 | 108.8 | I659 Y660 | I659-V667 WeakPolarHBondContact CA-O 3.5Å; Y660-V667 HydrophobicContact CD1-CB 4.21Å; Y660-V667 HydrophobicContact CD2-CB 4.47Å; Y660-V667 HydrophobicContact CE1-CB 3.67Å; Y660-V667 HydrophobicContact CE1-CG1 3.66Å; Y660-V667 HydrophobicContact CE2-CB 4Å; Y660-V667 HydrophobicContact CE2-CG1 4.38Å; Y660-V667 HydrophobicContact CE2-CG2 4.39Å; Y660-V667 PolarHBondContact N-O 3.02Å; Y660-V667 PolarHBondContact O-N 2.77Å; Y660-V667 WeakPolarHBondContact OH-CG1 3.41Å |
| 668 | F | 84.2 | Confident | 82.3 | Confident | 55 Ų | 55 | 49.1 Ų | 49.1 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 117.9 | -178.4 | -58.5 | -95.3 | 0 | 0 | 0 | 108.3 | L611 Y613 V629 L631 T657 I659 L666 | L611-F668 HydrophobicContact CD2-CE1 3.89Å; Y613-F668 HydrophobicContact CD1-CZ 4.23Å; Y613-F668 HydrophobicContact CE1-CE2 4.28Å; Y613-F668 AromaticContact CE1-CZ 3.76Å; Y613-F668 HydrophobicContact CE1-CZ 3.76Å; V629-F668 HydrophobicContact CG2-CE2 4.27Å; V629-F668 HydrophobicContact CG2-CZ 4.31Å; L631-F668 HydrophobicContact CD2-CD1 3.79Å; L631-F668 HydrophobicContact CD2-CE1 4.39Å; T657-F668 HydrophobicContact CG2-CB 3.99Å; T657-F668 HydrophobicContact CG2-CD1 4.39Å; I659-F668 HydrophobicContact CB-CD1 4.47Å; I659-F668 HydrophobicContact CB-CE1 4.46Å; I659-F668 HydrophobicContact CD1-CD1 4.15Å; I659-F668 HydrophobicContact CD1-CE1 3.81Å; I659-F668 HydrophobicContact CG1-CD1 3.73Å; I659-F668 HydrophobicContact CG1-CE1 3.83Å; I659-F668 HydrophobicContact CG2-CD1 4.22Å; I659-F668 HydrophobicContact CG2-CE1 3.88Å; I659-F668 HydrophobicContact CG2-CZ 4.3Å; L666-F668 HydrophobicContact CB-CE2 4.31Å; L666-F668 HydrophobicContact CB-CZ 4.4Å |
| 669 | S | 80.7 | Confident | 82.5 | Confident | 14 Ų | 14 | 49.2 Ų | 49.2 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 126 | -179.5 | -67.5 | 0 | 0 | 0 | 0 | 110.2 | T657 V658 Y660 | T657-S669 CarbonylContact C-O 3.56Å; T657-S669 WeakPolarHBondContact CA-O 3.13Å; V658-S669 PolarHBondContact N-O 3.41Å; V658-S669 PolarHBondContact O-N 3.09Å; Y660-S669 WeakPolarHBondContact CE1-OG 3.2Å |
| 670 | N | 81.9 | Confident | 82.7 | Confident | 89 Ų | 89 | 49.4 Ų | 49.4 | 48% | 0.476 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 140.2 | 175.3 | -67.9 | -26.5 | 0 | 0 | 0 | 109.5 | G393 I394 T657 | G393-N670 CarbonylContact C-O 3.59Å; G393-N670 WeakPolarHBondContact CA-O 3.4Å; I394-N670 PolarHBondContact N-O 3.04Å; T657-N670 PolarHBondContact OG1-OD1 3.05Å |
| 671 | V | 84.1 | Confident | 83.1 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -93.3 | 139.8 | 170.2 | -175.5 | 0 | 0 | 0 | 0 | 107.5 | I394 I396 F650 P656 V658 L673 | I394-V671 CarbonylContact O-C 3.51Å; I394-V671 WeakPolarHBondContact O-CA 3.29Å; I396-V671 HydrophobicContact CD1-CG1 3.91Å; I396-V671 HydrophobicContact CG1-CG1 3.44Å; I396-V671 VanDerWaalsContact CG1-CG1 3.44Å; F650-V671 HydrophobicContact CE2-CG2 3.88Å; F650-V671 HydrophobicContact CZ-CG2 4.09Å; P656-V671 HydrophobicContact CB-CB 4.17Å; P656-V671 PolarHBondContact O-N 3.01Å; V658-V671 HydrophobicContact CG2-CG2 3.63Å; V671-L673 HydrophobicContact CG1-CD1 4.23Å; V671-L673 HydrophobicContact CG1-CG 4.15Å; V671-L673 PolarHBondContact O-N 3.18Å |
| 672 | N | 78.7 | Confident | 83.7 | Confident | 37 Ų | 37 | 49.8 Ų | 49.8 | 20% | 0.198 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -74.5 | 51.2 | -177.3 | -63.3 | -46 | 0 | 0 | 0 | 112.5 | R391 N392 G393 I394 | R391-N672 VanDerWaalsContact CZ-ND2 3.3Å; R391-N672 PolarHBondContact NE-ND2 2.95Å; N392-N672 PolarHBondContact O-OD1 3.35Å; G393-N672 PolarHBondContact O-ND2 2.61Å; G393-N672 VanDerWaalsContact O-ND2 3.13Å; I394-N672 VanDerWaalsContact C-ND2 3.28Å; I394-N672 PolarHBondContact O-N 2.94Å; I394-N672 PolarHBondContact O-ND2 3.13Å; I394-N672 VanDerWaalsContact O-ND2 3.11Å |
| 673 | L | 83.3 | Confident | 84.9 | Confident | 59 Ų | 59 | 50.4 Ų | 50.4 | 31% | 0.309 | 25% | 0.252 | S | S | . | . | trans | -128.3 | 145.8 | 175.3 | -70.2 | 178.6 | 0 | 0 | 0 | 109.2 | I396 P656 V671 V676 L693 | I396-L673 HydrophobicContact CB-CD1 4.41Å; I396-L673 HydrophobicContact CG1-CD1 3.84Å; I396-L673 HydrophobicContact CG1-CG 4.18Å; P656-L673 VanDerWaalsContact CD-O 3.28Å; P656-L673 WeakPolarHBondContact CD-O 3.3Å; P656-L673 HydrophobicContact CG-CB 4.21Å; V671-L673 HydrophobicContact CG1-CD1 4.23Å; V671-L673 HydrophobicContact CG1-CG 4.15Å; V671-L673 PolarHBondContact O-N 3.18Å; L673-V676 HydrophobicContact CB-CG2 4.42Å; L673-V676 HydrophobicContact CD1-CG2 3.86Å; L673-L693 HydrophobicContact CD1-CD1 3.5Å | ||
| 674 | K | 84 | Confident | 86.3 | Confident | 165 Ų | 165 | 45.6 Ų | 45.6 | 72% | 0.717 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -69.8 | -43 | -177 | -68.5 | -177.1 | 178.9 | 177.2 | 0 | 113.6 | D654 | D654-K674 CarbonylContact C-O 3.6Š|
| 675 | E | 90.1 | Very high | 87.3 | Confident | 46 Ų | 46 | 44.9 Ų | 44.9 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | trans | -159.2 | 137 | -174.3 | -174.6 | -172.7 | 164.6 | 0 | 0 | 108.8 | S653 N677 N695 N696 | S653-E675 WeakPolarHBondContact O-CA 3.45Å; E675-N677 PolarHBondContact OE1-ND2 3.29Å; E675-N677 PolarHBondContact OE1-OD1 3.33Å; E675-N677 VanDerWaalsContact OE1-OD1 3.12Å; E675-N695 WeakPolarHBondContact O-CB 3.31Å; E675-N696 VanDerWaalsContact CD-ND2 3.26Å; E675-N696 PolarHBondContact OE1-ND2 3.47Å; E675-N696 PolarHBondContact OE2-ND2 2.85Å | ||
| 676 | V | 94.3 | Very high | 88.4 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | trans | -135.3 | 122 | 169.3 | 176.6 | 0 | 0 | 0 | 0 | 106.9 | F650 C652 S653 P656 L673 Y678 M679 L693 | F650-V676 HydrophobicContact CE1-CB 4.13Å; F650-V676 HydrophobicContact CE1-CG1 4Å; F650-V676 HydrophobicContact CE1-CG2 4.31Å; F650-V676 HydrophobicContact CZ-CG2 4.35Å; C652-V676 CarbonylContact C-O 3.58Å; C652-V676 VanDerWaalsContact CA-O 3.28Å; C652-V676 WeakPolarHBondContact CA-O 3.37Å; C652-V676 HydrophobicContact CB-CG1 4.16Å; C652-V676 WeakPolarHBondContact CB-O 3.43Å; S653-V676 PolarHBondContact N-O 3.45Å; S653-V676 PolarHBondContact O-N 3.29Å; P656-V676 HydrophobicContact CB-CB 4.25Å; P656-V676 HydrophobicContact CB-CG2 4.04Å; P656-V676 HydrophobicContact CG-CB 3.92Å; P656-V676 HydrophobicContact CG-CG2 3.67Å; L673-V676 HydrophobicContact CB-CG2 4.42Å; L673-V676 HydrophobicContact CD1-CG2 3.86Å; V676-Y678 WeakPolarHBondContact CG1-O 3.33Å; V676-M679 HydrophobicContact CG1-CB 4.41Å; V676-L693 HydrophobicContact CG1-CB 4.37Å; V676-L693 HydrophobicContact CG1-CD2 4.31Å | ||
| 677 | N | 94.3 | Very high | 88.8 | Confident | 33 Ų | 33 | 41.9 Ų | 41.9 | 18% | 0.176 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -92.6 | -38.5 | -179.6 | -73.7 | -45.6 | 0 | 0 | 0 | 112 | E675 A694 N696 | E675-N677 PolarHBondContact OE1-ND2 3.29Å; E675-N677 PolarHBondContact OE1-OD1 3.33Å; E675-N677 VanDerWaalsContact OE1-OD1 3.12Å; N677-A694 PolarHBondContact N-O 3.32Å; N677-N696 PolarHBondContact ND2-OD1 3.29Å |
| 678 | Y | 94.9 | Very high | 89.1 | Confident | 56 Ų | 56 | 43.3 Ų | 43.3 | 22% | 0.22 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 145.6 | 179.4 | -61.1 | -83.1 | 0 | 0 | 0 | 109.7 | I407 K408 V637 V676 A694 | I407-Y678 HydrophobicContact CG2-CD2 4.49Å; I407-Y678 VanDerWaalsContact O-CE2 3.32Å; I407-Y678 WeakPolarHBondContact O-CE2 3.41Å; K408-Y678 VanDerWaalsContact C-CZ 3.48Å; K408-Y678 VanDerWaalsContact CA-CE2 3.5Å; K408-Y678 HydrophobicContact CD-CE2 4.42Å; K408-Y678 WeakPolarHBondContact O-CE1 3.4Å; K408-Y678 PolarHBondContact O-OH 2.99Å; V637-Y678 HydrophobicContact CG2-CE1 4.44Å; V676-Y678 WeakPolarHBondContact CG1-O 3.33Å; Y678-A694 PolarHBondContact N-O 2.91Å; Y678-A694 PolarHBondContact O-N 3.33Å |
| 679 | M | 95.1 | Very high | 89.2 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 151.3 | 168.6 | 71.5 | 119 | -59.2 | 0 | 0 | 111.3 | R639 F650 C652 V676 L691 A692 L693 | R639-M679 HydrophobicContact CB-CE 4.2Å; R639-M679 HydrophobicContact CB-CG 3.87Å; R639-M679 HydrophobicContact CB-SD 3.84Å; R639-M679 HydrophobicContact CG-CG 4.16Å; R639-M679 WeakPolarHBondContact CG-O 3.44Å; F650-M679 HydrophobicContact CB-CG 3.99Å; F650-M679 HydrophobicContact CB-SD 3.31Å; F650-M679 WeakPolarHBondContact CB-SD 3.42Å; F650-M679 HydrophobicContact CD1-CG 3.92Å; F650-M679 HydrophobicContact CD1-SD 4.22Å; F650-M679 HydrophobicContact CD2-SD 4.24Å; F650-M679 HydrophobicContact CG-CG 4.04Å; F650-M679 HydrophobicContact CG-SD 3.69Å; C652-M679 WeakPolarHBondContact SG-CG 3.2Å; V676-M679 HydrophobicContact CG1-CB 4.41Å; M679-L691 HydrophobicContact CE-CD2 4.16Å; M679-A692 CarbonylContact C-O 3.51Å; M679-A692 WeakPolarHBondContact CA-O 3.27Å; M679-L693 HydrophobicContact CB-CD2 3.56Å |
| 680 | C | 95.6 | Very high | 89.7 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 145.4 | 162.2 | 70.5 | 0 | 0 | 0 | 0 | 111 | L410 L425 A692 | L410-C680 HydrophobicContact CB-CB 4.11Å; L425-C680 VanDerWaalsContact CD1-SG 3.59Å; C680-A692 PolarHBondContact N-O 3.47Å; C680-A692 PolarHBondContact O-N 3.02Å |
| 681 | P | 94.5 | Very high | 90.3 | Very high | 55 Ų | 55 | 42.5 Ų | 42.5 | 36% | 0.357 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 145.6 | 168.7 | 28.3 | -33.3 | 0 | 0 | 0 | 108.5 | P412 F641 | P412-P681 WeakPolarHBondContact CG-O 3.49Å; F641-P681 HydrophobicContact CB-CB 4.29Å |
| 682 | L | 94.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 113.3 | 179.1 | 179 | 65 | 0 | 0 | 0 | 109.2 | P412 D422 L438 Y687 S690 I701 | P412-L682 HydrophobicContact CB-CD1 4.37Å; D422-L682 HydrophobicContact CB-CD1 4.13Å; L438-L682 HydrophobicContact CD1-CD1 3.53Å; L438-L682 HydrophobicContact CD1-CD2 4.12Å; L438-L682 HydrophobicContact CD1-CG 4.34Å; L682-Y687 HydrophobicContact CD2-CD2 4.36Å; L682-S690 CarbonylContact C-O 3.56Å; L682-S690 PolarHBondContact N-O 3.16Å; L682-S690 CarbonylContact O-C 3.57Å; L682-S690 WeakPolarHBondContact O-CA 3.37Å; L682-S690 PolarHBondContact O-N 3.11Å; L682-I701 HydrophobicContact CD2-CD1 4.17Å; L682-I701 HydrophobicContact CD2-CG1 4.45Å; L682-I701 HydrophobicContact CD2-CG2 4.04Å |
| 683 | N | 92 | Very high | 91.7 | Very high | 68 Ų | 68 | 40.6 Ų | 40.6 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | trans | -118.7 | 91.6 | 173.4 | -172.7 | 27.1 | 0 | 0 | 0 | 109.6 | T421 D422 D689 | T421-N683 WeakPolarHBondContact CB-O 3.16Å; D422-N683 PolarHBondContact N-O 2.92Å; D422-N683 PolarHBondContact OD2-N 3.17Å; D422-N683 VanDerWaalsContact OD2-N 3.11Å; N683-D689 PolarHBondContact OD1-N 2.67Å | ||
| 684 | S | 92.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | trans | -120.6 | 163.7 | -177.5 | 69.9 | 0 | 0 | 0 | 0 | 111.1 | D422 G686 Y687 | D422-S684 WeakPolarHBondContact O-CB 3.45Å; S684-G686 VanDerWaalsContact C-N 3.26Å; S684-G686 PolarHBondContact O-N 2.79Å; S684-Y687 PolarHBondContact N-O 3.06Å; S684-Y687 VanDerWaalsContact N-O 3.08Å; S684-Y687 CarbonylContact O-C 3.55Å; S684-Y687 PolarHBondContact O-N 3.06Å; S684-Y687 VanDerWaalsContact O-N 3.13Å; S684-Y687 WeakPolarHBondContact OG-CB 3.38Å; S684-Y687 PolarHBondContact OG-N 3.24Å; S684-Y687 VanDerWaalsContact OG-N 3.15Å | ||
| 685 | D | 89.5 | Confident | 92.7 | Very high | 106 Ų | 106 | 31.9 Ų | 31.9 | 57% | 0.567 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -60.8 | -32.3 | -177.6 | -62 | -15.2 | 0 | 0 | 0 | 113.3 | T421 | T421-D685 WeakPolarHBondContact CB-OD1 3.5Å; T421-D685 PolarHBondContact OG1-OD1 3.37Å |
| 686 | G | 89.4 | Confident | 92.8 | Very high | 16 Ų | 16 | 34.2 Ų | 34.2 | 17% | 0.165 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -91.5 | -17 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G440 S684 | G440-G686 VanDerWaalsContact C-CA 3.5Å; G440-G686 WeakPolarHBondContact O-CA 3.47Å; S684-G686 VanDerWaalsContact C-N 3.26Å; S684-G686 PolarHBondContact O-N 2.79Å |
| 687 | Y | 91.1 | Very high | 92.6 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -135 | 74.6 | 179.4 | -52 | -73.3 | 0 | 0 | 0 | 109.1 | H399 A400 E441 V443 L682 S684 I701 | H399-Y687 HydrophobicContact CB-CD1 4.17Å; H399-Y687 HydrophobicContact CB-CE1 4.11Å; A400-Y687 HydrophobicContact CB-CE1 4.08Å; A400-Y687 WeakPolarHBondContact CB-OH 3.37Å; E441-Y687 PolarHBondContact O-OH 2.86Å; V443-Y687 HydrophobicContact CG2-CE2 4.3Å; L682-Y687 HydrophobicContact CD2-CD2 4.36Å; S684-Y687 PolarHBondContact N-O 3.06Å; S684-Y687 VanDerWaalsContact N-O 3.08Å; S684-Y687 CarbonylContact O-C 3.55Å; S684-Y687 PolarHBondContact O-N 3.06Å; S684-Y687 VanDerWaalsContact O-N 3.13Å; S684-Y687 WeakPolarHBondContact OG-CB 3.38Å; S684-Y687 PolarHBondContact OG-N 3.24Å; S684-Y687 VanDerWaalsContact OG-N 3.15Å; Y687-I701 HydrophobicContact CD1-CB 4.47Å; Y687-I701 HydrophobicContact CD1-CG2 3.61Å; Y687-I701 HydrophobicContact CD2-CD1 4.11Å; Y687-I701 HydrophobicContact CD2-CG2 4.13Å; Y687-I701 HydrophobicContact CE1-CG2 4.11Å; Y687-I701 HydrophobicContact CE2-CD1 3.81Å; Y687-I701 HydrophobicContact CG-CG2 3.61Å |
| 688 | P | 87.1 | Confident | 92.6 | Very high | 77 Ų | 77 | 36.5 Ų | 36.5 | 50% | 0.5 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 145 | 176.5 | 28.1 | -34.2 | 0 | 0 | 0 | 110.2 | S690 | P688-S690 PolarHBondContact O-N 3.34Å; P688-S690 PolarHBondContact O-OG 3.29Å |
| 689 | D | 85.5 | Confident | 92.7 | Very high | 131 Ų | 131 | 33.9 Ų | 33.9 | 70% | 0.701 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 44.9 | 37.4 | 175.4 | -67.8 | -38.1 | 0 | 0 | 0 | 114.9 | N683 | N683-D689 PolarHBondContact OD1-N 2.67Š|
| 690 | S | 91.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.028 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 168.1 | -172.3 | -68.7 | 0 | 0 | 0 | 0 | 112.3 | L682 P688 | L682-S690 CarbonylContact C-O 3.56Å; L682-S690 PolarHBondContact N-O 3.16Å; L682-S690 CarbonylContact O-C 3.57Å; L682-S690 WeakPolarHBondContact O-CA 3.37Å; L682-S690 PolarHBondContact O-N 3.11Å; P688-S690 PolarHBondContact O-N 3.34Å; P688-S690 PolarHBondContact O-OG 3.29Å |
| 691 | L | 94.3 | Very high | 92.6 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 136.8 | 172.6 | -58.2 | 177.8 | 0 | 0 | 0 | 109 | F641 F650 M679 L693 I701 G702 I704 | F641-L691 HydrophobicContact CB-CD2 3.88Å; F641-L691 HydrophobicContact CD2-CD2 4.04Å; F641-L691 HydrophobicContact CG-CD2 4.04Å; F650-L691 HydrophobicContact CD2-CD1 4.46Å; M679-L691 HydrophobicContact CE-CD2 4.16Å; L691-L693 HydrophobicContact CB-CD2 3.98Å; L691-L693 HydrophobicContact CB-CG 4.27Å; L691-I701 WeakPolarHBondContact O-CA 3.25Å; L691-G702 PolarHBondContact N-O 3.46Å; L691-G702 PolarHBondContact O-N 2.78Å; L691-I704 HydrophobicContact CD1-CB 4.18Å; L691-I704 HydrophobicContact CD1-CG2 4.35Å |
| 692 | A | 96.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 118.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | L425 M679 C680 L699 | L425-A692 HydrophobicContact CD1-CB 4.45Å; L425-A692 HydrophobicContact CD2-CB 4.36Å; M679-A692 CarbonylContact C-O 3.51Å; M679-A692 WeakPolarHBondContact CA-O 3.27Å; C680-A692 PolarHBondContact N-O 3.47Å; C680-A692 PolarHBondContact O-N 3.02Å; A692-L699 HydrophobicContact CB-CD1 4.28Å |
| 693 | L | 95.8 | Very high | 92 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127 | -175 | -52.8 | 177.9 | 0 | 0 | 0 | 109.1 | I396 F650 L673 V676 M679 L691 L699 T700 | I396-L693 HydrophobicContact CD1-CD1 4.5Å; I396-L693 HydrophobicContact CG1-CD1 4.42Å; I396-L693 HydrophobicContact CG2-CD1 4.26Å; F650-L693 HydrophobicContact CE2-CD2 4.5Å; F650-L693 HydrophobicContact CZ-CD2 4.32Å; L673-L693 HydrophobicContact CD1-CD1 3.5Å; V676-L693 HydrophobicContact CG1-CB 4.37Å; V676-L693 HydrophobicContact CG1-CD2 4.31Å; M679-L693 HydrophobicContact CB-CD2 3.56Å; L691-L693 HydrophobicContact CB-CD2 3.98Å; L691-L693 HydrophobicContact CB-CG 4.27Å; L693-L699 CarbonylContact O-C 3.59Å; L693-L699 WeakPolarHBondContact O-CA 3.46Å; L693-T700 PolarHBondContact N-O 3.24Å; L693-T700 PolarHBondContact O-N 3.1Å |
| 694 | A | 95.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 134.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I407 L410 N677 Y678 T698 L699 | I407-A694 HydrophobicContact CB-CB 4.06Å; I407-A694 HydrophobicContact CD1-CB 3.71Å; I407-A694 HydrophobicContact CG1-CB 4.49Å; I407-A694 HydrophobicContact CG2-CB 3.91Å; L410-A694 HydrophobicContact CD1-CB 3.6Å; L410-A694 HydrophobicContact CG-CB 4.47Å; N677-A694 PolarHBondContact N-O 3.32Å; Y678-A694 PolarHBondContact N-O 2.91Å; Y678-A694 PolarHBondContact O-N 3.33Å; A694-T698 WeakPolarHBondContact CA-O 3.4Å; A694-L699 HydrophobicContact CB-CD1 4.41Å |
| 695 | N | 92.6 | Very high | 90.6 | Very high | 40 Ų | 40 | 32.6 Ų | 32.6 | 21% | 0.214 | 19% | 0.189 | C | C | . | . | trans | -108.9 | -160 | 167.1 | 67.1 | 36.3 | 0 | 0 | 0 | 109.7 | E675 S697 T698 | E675-N695 WeakPolarHBondContact O-CB 3.31Å; N695-S697 VanDerWaalsContact C-N 3.28Å; N695-S697 PolarHBondContact O-N 2.92Å; N695-S697 PolarHBondContact OD1-N 3.45Å; N695-S697 PolarHBondContact OD1-OG 3.06Å; N695-T698 PolarHBondContact N-O 3.33Å; N695-T698 PolarHBondContact ND2-OG1 2.92Å; N695-T698 PolarHBondContact OD1-N 3.41Å; N695-T698 PolarHBondContact OD1-O 3.06Å; N695-T698 PolarHBondContact OD1-OG1 3.46Å | ||
| 696 | N | 90.9 | Very high | 89.4 | Confident | 95 Ų | 95 | 33.2 Ų | 33.2 | 51% | 0.508 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -69.3 | -22.2 | -180 | -70.7 | -46.2 | 0 | 0 | 0 | 114.5 | P405 G406 E675 N677 | P405-N696 WeakPolarHBondContact CA-O 3.06Å; G406-N696 PolarHBondContact N-O 2.85Å; E675-N696 VanDerWaalsContact CD-ND2 3.26Å; E675-N696 PolarHBondContact OE1-ND2 3.47Å; E675-N696 PolarHBondContact OE2-ND2 2.85Å; N677-N696 PolarHBondContact ND2-OD1 3.29Å |
| 697 | S | 91.9 | Very high | 88 | Confident | 64 Ų | 64 | 34.3 Ų | 34.3 | 45% | 0.448 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -121 | -34.5 | -171 | 44.4 | 0 | 0 | 0 | 0 | 114.8 | L404 N695 | L404-S697 CarbonylContact C-O 3.59Å; L404-S697 VanDerWaalsContact C-O 3.3Å; L404-S697 PolarHBondContact N-O 3.24Å; N695-S697 VanDerWaalsContact C-N 3.28Å; N695-S697 PolarHBondContact O-N 2.92Å; N695-S697 PolarHBondContact OD1-N 3.45Å; N695-S697 PolarHBondContact OD1-OG 3.06Å |
| 698 | T | 94.2 | Very high | 86.5 | Confident | 20 Ų | 20 | 38 Ų | 38 | 12% | 0.123 | 21% | 0.208 | C | C | . | . | trans | -131.7 | 150.5 | -167.3 | 64.8 | 0 | 0 | 0 | 0 | 111.9 | I402 D403 A694 N695 | I402-T698 CarbonylContact O-C 3.47Å; I402-T698 WeakPolarHBondContact O-CA 3.38Å; D403-T698 WeakPolarHBondContact OD1-CG2 3.39Å; A694-T698 WeakPolarHBondContact CA-O 3.4Å; N695-T698 PolarHBondContact N-O 3.33Å; N695-T698 PolarHBondContact ND2-OG1 2.92Å; N695-T698 PolarHBondContact OD1-N 3.41Å; N695-T698 PolarHBondContact OD1-O 3.06Å; N695-T698 PolarHBondContact OD1-OG1 3.46Å | ||
| 699 | L | 95.3 | Very high | 85.5 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 115.8 | 163.6 | 172.7 | 65.1 | 0 | 0 | 0 | 107.6 | S401 I402 L404 I407 L410 L425 L427 L436 A692 L693 A694 | S401-L699 CarbonylContact C-O 3.59Å; S401-L699 WeakPolarHBondContact CA-O 3.48Å; I402-L699 HydrophobicContact CB-CB 4.44Å; I402-L699 HydrophobicContact CD1-CD2 4.42Å; I402-L699 PolarHBondContact N-O 3.18Å; I402-L699 PolarHBondContact O-N 2.89Å; L404-L699 HydrophobicContact CB-CB 4.47Å; L404-L699 HydrophobicContact CD1-CB 4.41Å; L404-L699 HydrophobicContact CD1-CD2 4.1Å; I407-L699 HydrophobicContact CD1-CB 4Å; L410-L699 HydrophobicContact CD1-CD1 4.25Å; L410-L699 HydrophobicContact CD2-CD1 3.82Å; L425-L699 HydrophobicContact CD2-CD2 3.9Å; L427-L699 HydrophobicContact CD2-CD2 4.11Å; L436-L699 HydrophobicContact CD1-CD2 4.31Å; A692-L699 HydrophobicContact CB-CD1 4.28Å; L693-L699 CarbonylContact O-C 3.59Å; L693-L699 WeakPolarHBondContact O-CA 3.46Å; A694-L699 HydrophobicContact CB-CD1 4.41Å |
| 700 | T | 94.4 | Very high | 85.1 | Confident | 15 Ų | 15 | 33.2 Ų | 33.2 | 9% | 0.092 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 130 | 179.6 | -57.6 | 0 | 0 | 0 | 0 | 109.5 | E398 A400 L693 | E398-T700 HydrophobicContact CB-CG2 4.21Å; E398-T700 HydrophobicContact CG-CG2 3.72Å; A400-T700 CarbonylContact O-C 3.6Å; A400-T700 WeakPolarHBondContact O-CA 3.14Å; L693-T700 PolarHBondContact N-O 3.24Å; L693-T700 PolarHBondContact O-N 3.1Å |
| 701 | I | 94.2 | Very high | 84.6 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 125.8 | 170.6 | -56.6 | 173.6 | 0 | 0 | 0 | 107.4 | H399 A400 L682 Y687 L691 | H399-I701 PolarHBondContact N-O 3.43Å; A400-I701 HydrophobicContact CB-CB 4.32Å; A400-I701 PolarHBondContact N-O 2.81Å; A400-I701 PolarHBondContact O-N 3.02Å; L682-I701 HydrophobicContact CD2-CD1 4.17Å; L682-I701 HydrophobicContact CD2-CG1 4.45Å; L682-I701 HydrophobicContact CD2-CG2 4.04Å; Y687-I701 HydrophobicContact CD1-CB 4.47Å; Y687-I701 HydrophobicContact CD1-CG2 3.61Å; Y687-I701 HydrophobicContact CD2-CD1 4.11Å; Y687-I701 HydrophobicContact CD2-CG2 4.13Å; Y687-I701 HydrophobicContact CE1-CG2 4.11Å; Y687-I701 HydrophobicContact CE2-CD1 3.81Å; Y687-I701 HydrophobicContact CG-CG2 3.61Å; L691-I701 WeakPolarHBondContact O-CA 3.25Å |
| 702 | G | 90.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 159.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | H397 L691 | H397-G702 CarbonylContact O-C 3.54Å; H397-G702 WeakPolarHBondContact O-CA 3.2Å; L691-G702 PolarHBondContact N-O 3.46Å; L691-G702 PolarHBondContact O-N 2.78Å |
| 703 | T | 86.3 | Confident | 83.9 | Confident | 36 Ų | 36 | 41.2 Ų | 41.2 | 22% | 0.221 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 145.4 | 171.6 | 47.8 | 0 | 0 | 0 | 0 | 110 | I396 H397 H399 | I396-T703 WeakPolarHBondContact CA-O 3.21Å; H397-T703 PolarHBondContact N-O 2.98Å; H397-T703 PolarHBondContact O-N 2.65Å; H399-T703 VanDerWaalsContact NE2-CG2 3.31Å; H399-T703 WeakPolarHBondContact NE2-CG2 3.41Å; H399-T703 PolarHBondContact NE2-OG1 2.82Å |
| 704 | I | 83.1 | Confident | 83.9 | Confident | 24 Ų | 24 | 43.6 Ų | 43.6 | 12% | 0.123 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 138.3 | 174.1 | -171.4 | 162.2 | 0 | 0 | 0 | 110.4 | I394 I396 F641 V658 L691 | I394-I704 HydrophobicContact CG2-CD1 3.95Å; I394-I704 HydrophobicContact CG2-CG1 3.63Å; I396-I704 HydrophobicContact CD1-CB 3.74Å; I396-I704 HydrophobicContact CD1-CD1 4.09Å; I396-I704 HydrophobicContact CD1-CG1 3.72Å; F641-I704 HydrophobicContact CE2-CD1 4.41Å; F641-I704 HydrophobicContact CE2-CG2 4.06Å; F641-I704 HydrophobicContact CZ-CD1 4.1Å; V658-I704 HydrophobicContact CG2-CD1 3.71Å; L691-I704 HydrophobicContact CD1-CB 4.18Å; L691-I704 HydrophobicContact CD1-CG2 4.35Å |
| 705 | D | 72.3 | Confident | 83.9 | Confident | 29 Ų | 29 | 44.3 Ų | 44.3 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 166.9 | 175.8 | -63.1 | -1.4 | 0 | 0 | 0 | 110.9 | I394 G395 H397 I707 H711 | I394-D705 HydrophobicContact CG2-CB 4.36Å; G395-D705 WeakPolarHBondContact CA-OD2 3.48Å; G395-D705 PolarHBondContact N-OD2 3.37Å; G395-D705 PolarHBondContact O-N 2.91Å; G395-D705 VanDerWaalsContact O-N 3.09Å; H397-D705 IonicContact CD2-OD1 2.94Å; H397-D705 PolarHBondContact CD2-OD1 3.41Å; H397-D705 IonicContact CE1-OD1 3.74Å; H397-D705 IonicContact CG-OD1 2.67Å; H397-D705 IonicContact NE2-OD1 2.71Å; H397-D705 PolarHBondContact NE2-OD1 3.09Å; H397-D705 VanDerWaalsContact NE2-OD1 3.12Å; D705-I707 PolarHBondContact O-N 2.76Å; D705-H711 IonicContact OD2-CD2 3.62Å; D705-H711 PolarHBondContact OD2-CD2 3.39Å; D705-H711 IonicContact OD2-NE2 3.81Å |
| 706 | E | 65 | Low | 84.1 | Confident | 119 Ų | 119 | 45.5 Ų | 45.5 | 56% | 0.556 | 24% | 0.235 | S | C | * | . | P | Polyproline II helix | trans | -51.6 | 138.4 | 166.3 | -72.4 | -168.2 | 167 | 0 | 0 | 110.3 | Q708 | E706-Q708 HydrophobicContact CB-CG 4.1Å; E706-Q708 PolarHBondContact O-N 2.88Å; E706-Q708 PolarHBondContact OE2-NE2 3.43Å |
| 707 | I | 59.1 | Low | 84.4 | Confident | 40 Ų | 40 | 41 Ų | 41 | 21% | 0.205 | 21% | 0.211 | C | C | . | . | trans | -73.2 | 78.3 | -178.4 | -56.1 | 179.7 | 0 | 0 | 0 | 108.7 | I394 N648 V658 Y660 D705 | I394-I707 HydrophobicContact CD1-CB 4.46Å; I394-I707 HydrophobicContact CD1-CG1 4.42Å; I394-I707 HydrophobicContact CD1-CG2 3.87Å; N648-I707 WeakPolarHBondContact ND2-CD1 3.32Å; V658-I707 HydrophobicContact CG1-CD1 4.1Å; Y660-I707 HydrophobicContact CD1-CG2 3.42Å; Y660-I707 VanDerWaalsContact CD1-CG2 3.42Å; Y660-I707 HydrophobicContact CD2-CG2 3.84Å; Y660-I707 HydrophobicContact CE1-CG2 3.18Å; Y660-I707 HydrophobicContact CE2-CG2 3.61Å; Y660-I707 HydrophobicContact CG-CD1 4.23Å; Y660-I707 HydrophobicContact CG-CG2 3.74Å; D705-I707 PolarHBondContact O-N 2.76Å | ||
| 708 | Q | 59 | Low | 84.7 | Confident | 90 Ų | 90 | 43.5 Ų | 43.5 | 42% | 0.421 | 21% | 0.211 | S | C | . | . | trans | -108.7 | 154.2 | 174.6 | -59.5 | -170.2 | 7.9 | 0 | 0 | 110.1 | E706 L710 | E706-Q708 HydrophobicContact CB-CG 4.1Å; E706-Q708 PolarHBondContact O-N 2.88Å; E706-Q708 PolarHBondContact OE2-NE2 3.43Å; Q708-L710 VanDerWaalsContact C-N 3.34Å | ||
| 709 | K | 67 | Low | 84.8 | Confident | 103 Ų | 103 | 42.7 Ų | 42.7 | 45% | 0.448 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -64.5 | -38.8 | 178.4 | -72.3 | -172.3 | 178.8 | -174.7 | 0 | 112.2 | N392 G393 | N392-K709 PolarHBondContact OD1-O 2.78Å; N392-K709 VanDerWaalsContact OD1-O 3.12Å; G393-K709 PolarHBondContact N-O 2.96Å |
| 710 | L | 77 | Confident | 85 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 132.2 | -176.8 | -61.6 | 176.9 | 0 | 0 | 0 | 109.7 | Q10 I390 R391 N392 Q708 L1012 | Q10-L710 HydrophobicContact CB-CD1 3.96Å; I390-L710 HydrophobicContact CG2-CB 4.29Å; I390-L710 HydrophobicContact CG2-CD1 4.16Å; R391-L710 CarbonylContact O-C 3.55Å; R391-L710 WeakPolarHBondContact O-CA 3.3Å; N392-L710 HydrophobicContact CB-CD2 4.17Å; Q708-L710 VanDerWaalsContact C-N 3.34Å; L710-L1012 HydrophobicContact CD2-CD1 4.28Å |
| 711 | H | 81.3 | Confident | 85.2 | Confident | 31 Ų | 31 | 42.6 Ų | 42.6 | 14% | 0.144 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127.5 | 168.9 | 166.8 | -75.4 | 0 | 0 | 0 | 109.7 | R391 G393 D705 | R391-H711 HydrophobicContact CG-CB 3.81Å; R391-H711 PolarHBondContact N-O 3.12Å; R391-H711 PolarHBondContact NE-CE1 3.21Å; R391-H711 VanDerWaalsContact NE-CG 3.33Å; R391-H711 PolarHBondContact NE-ND1 3.09Å; R391-H711 PolarHBondContact NH2-CE1 3.21Å; R391-H711 PolarHBondContact NH2-ND1 3.34Å; R391-H711 PolarHBondContact NH2-NE2 3.19Å; R391-H711 PolarHBondContact O-N 3.39Å; G393-H711 WeakPolarHBondContact O-CB 3.48Å; G393-H711 PolarHBondContact O-N 3.17Å; D705-H711 IonicContact OD2-CD2 3.62Å; D705-H711 PolarHBondContact OD2-CD2 3.39Å; D705-H711 IonicContact OD2-NE2 3.81Å |
| 712 | I | 88.1 | Confident | 85.3 | Confident | 32 Ų | 32 | 47.9 Ų | 47.9 | 16% | 0.164 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 118.6 | -177.2 | -58 | 166.5 | 0 | 0 | 0 | 108.9 | T354 L356 R388 I389 I390 | T354-I712 HydrophobicContact CG2-CB 4.36Å; T354-I712 HydrophobicContact CG2-CD1 3.97Å; T354-I712 HydrophobicContact CG2-CG2 3.93Å; L356-I712 HydrophobicContact CD1-CD1 4.26Å; L356-I712 HydrophobicContact CD2-CD1 4.15Å; L356-I712 HydrophobicContact CD2-CG2 3.86Å; L356-I712 HydrophobicContact CG-CD1 4.42Å; R388-I712 HydrophobicContact CB-CG2 4.22Å; I389-I712 WeakPolarHBondContact O-CA 3.14Å; I390-I712 HydrophobicContact CG1-CG1 4.28Å; I390-I712 HydrophobicContact CG1-CG2 4.42Å; I390-I712 HydrophobicContact CG2-CG1 4.37Å |
| 713 | R | 89 | Confident | 85.7 | Confident | 114 Ų | 114 | 50.6 Ų | 50.6 | 43% | 0.43 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 132.2 | 169.9 | 176.4 | -177.1 | 176.5 | -164.4 | -2.7 | 109.9 | R388 I389 | R388-R713 WeakPolarHBondContact CA-O 3.4Å; I389-R713 HydrophobicContact CB-CB 4.26Å; I389-R713 HydrophobicContact CD1-CB 4.46Å; I389-R713 HydrophobicContact CD1-CG 4.37Å; I389-R713 WeakPolarHBondContact CD1-O 3.31Å; I389-R713 PolarHBondContact N-O 3.15Å; I389-R713 PolarHBondContact O-N 2.86Å |
| 714 | T | 94 | Very high | 86.3 | Confident | 54 Ų | 54 | 49.3 Ų | 49.3 | 33% | 0.331 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 131.4 | 177.5 | -51.9 | 0 | 0 | 0 | 0 | 110.8 | R388 | R388-T714 PolarHBondContact NH1-OG1 3.02Å |
| 715 | V | 96.4 | Very high | 87 | Confident | 17 Ų | 17 | 48.9 Ų | 48.9 | 10% | 0.103 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 103.3 | 167.2 | 175.5 | 0 | 0 | 0 | 0 | 107.3 | S386 L387 I389 F799 | S386-V715 CarbonylContact C-O 3.57Å; S386-V715 VanDerWaalsContact CA-O 3.28Å; S386-V715 WeakPolarHBondContact CA-O 3.39Å; S386-V715 WeakPolarHBondContact CB-O 3.41Å; L387-V715 HydrophobicContact CB-CB 4.25Å; L387-V715 PolarHBondContact N-O 3.12Å; L387-V715 PolarHBondContact O-N 3.03Å; I389-V715 HydrophobicContact CD1-CB 4.35Å; I389-V715 HydrophobicContact CD1-CG2 3.5Å; I389-V715 VanDerWaalsContact CD1-CG2 3.5Å; V715-F799 HydrophobicContact CB-CB 4.44Å; V715-F799 HydrophobicContact CG1-CB 3.9Å; V715-F799 HydrophobicContact CG2-CB 3.74Å; V715-F799 HydrophobicContact CG2-CD1 4.17Å; V715-F799 HydrophobicContact CG2-CD2 4.33Å; V715-F799 HydrophobicContact CG2-CG 3.83Å |
| 716 | P | 97 | Very high | 88.1 | Confident | 64 Ų | 64 | 50 Ų | 50 | 42% | 0.416 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 136 | -178.5 | 29.4 | -33.9 | 0 | 0 | 0 | 110.6 | Y718 | P716-Y718 HydrophobicContact CB-CD2 4.33Å; P716-Y718 HydrophobicContact CB-CE1 4.04Å; P716-Y718 HydrophobicContact CB-CE2 3.8Å; P716-Y718 HydrophobicContact CG-CE2 4.04Å |
| 717 | L | 97.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | trans | -106.3 | -24 | 172.1 | -59.9 | 178.8 | 0 | 0 | 0 | 111.9 | G385 L387 E719 P721 A756 I794 | G385-L717 WeakPolarHBondContact O-CA 3.5Å; G385-L717 WeakPolarHBondContact O-CB 3.48Å; G385-L717 PolarHBondContact O-N 3.02Å; L387-L717 HydrophobicContact CD2-CD1 4.1Å; L387-L717 HydrophobicContact CG-CD1 4Å; L387-L717 HydrophobicContact CG-CD2 4.46Å; L387-L717 HydrophobicContact CG-CG 4.37Å; L717-E719 HydrophobicContact CB-CG 4.15Å; L717-E719 PolarHBondContact O-N 3.14Å; L717-E719 VanDerWaalsContact O-N 3.14Å; L717-P721 HydrophobicContact CD1-CB 3.87Å; L717-P721 HydrophobicContact CD1-CG 4.3Å; L717-A756 HydrophobicContact CB-CB 3.93Å; L717-A756 HydrophobicContact CD2-CB 3.72Å; L717-A756 HydrophobicContact CG-CB 4.41Å; L717-A756 WeakPolarHBondContact O-CB 3.24Å; L717-A756 PolarHBondContact O-N 3.2Å; L717-I794 HydrophobicContact CD2-CD1 4.31Å | ||
| 718 | Y | 96.9 | Very high | 91.2 | Very high | 116 Ų | 116 | 47.7 Ų | 47.7 | 46% | 0.455 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 56.9 | 22.2 | -174.3 | -51.4 | -70.5 | 0 | 0 | 0 | 114 | F382 K383 G385 P716 | F382-Y718 CarbonylContact O-C 3.5Å; K383-Y718 WeakPolarHBondContact O-CA 3.32Å; K383-Y718 WeakPolarHBondContact O-CD1 3.32Å; G385-Y718 PolarHBondContact O-N 3.43Å; G385-Y718 VanDerWaalsContact O-N 3.11Å; P716-Y718 HydrophobicContact CB-CD2 4.33Å; P716-Y718 HydrophobicContact CB-CE1 4.04Å; P716-Y718 HydrophobicContact CB-CE2 3.8Å; P716-Y718 HydrophobicContact CG-CE2 4.04Å |
| 719 | E | 97.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -152.8 | 155.7 | 173.6 | 62.3 | -177.4 | -161.3 | 0 | 0 | 108.9 | F382 G385 L717 P721 S737 S738 R739 S755 A756 S757 | F382-E719 CarbonylContact O-C 3.59Å; F382-E719 VanDerWaalsContact O-C 3.29Å; F382-E719 WeakPolarHBondContact O-CA 3.38Å; F382-E719 PolarHBondContact O-N 2.74Å; G385-E719 WeakPolarHBondContact CA-O 3.42Å; L717-E719 HydrophobicContact CB-CG 4.15Å; L717-E719 PolarHBondContact O-N 3.14Å; L717-E719 VanDerWaalsContact O-N 3.14Å; E719-P721 WeakPolarHBondContact O-CD 3.49Å; E719-S737 WeakPolarHBondContact OE1-CB 3.42Å; E719-S737 PolarHBondContact OE1-OG 2.8Å; E719-S738 WeakPolarHBondContact CB-O 3.18Å; E719-R739 HydrophobicContact CB-CB 3.97Å; E719-S755 WeakPolarHBondContact OE2-CB 3.23Å; E719-S755 PolarHBondContact OE2-OG 3.24Å; E719-A756 HydrophobicContact CG-CB 4.39Å; E719-S757 WeakPolarHBondContact OE1-CB 3.46Å; E719-S757 PolarHBondContact OE1-N 2.79Å; E719-S757 VanDerWaalsContact OE1-N 3.17Å; E719-S757 WeakPolarHBondContact OE2-CB 3.38Å; E719-S757 PolarHBondContact OE2-N 2.89Å; E719-S757 PolarHBondContact OE2-OG 3Å |
| 720 | S | 98 | Very high | 94.2 | Very high | 13 Ų | 13 | 45 Ų | 45 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 109.2 | -172.2 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | F382 S737 S738 | F382-S720 PolarHBondContact N-OG 3.39Å; S720-S737 CarbonylContact O-C 3.59Å; S720-S737 WeakPolarHBondContact O-CA 3.39Å; S720-S738 PolarHBondContact N-O 3.06Å; S720-S738 PolarHBondContact O-N 3.07Å |
| 721 | P | 98.4 | Very high | 95 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 153.1 | 168.1 | 32.9 | -35.8 | 0 | 0 | 0 | 110 | V360 C378 S379 L387 L717 E719 V735 L736 | V360-P721 VanDerWaalsContact CG2-O 3.3Å; V360-P721 WeakPolarHBondContact CG2-O 3.41Å; C378-P721 HydrophobicContact CB-CB 3.7Å; C378-P721 HydrophobicContact CB-CG 3.89Å; S379-P721 WeakPolarHBondContact O-CG 3.41Å; L387-P721 HydrophobicContact CD2-CB 4.48Å; L717-P721 HydrophobicContact CD1-CB 3.87Å; L717-P721 HydrophobicContact CD1-CG 4.3Å; E719-P721 WeakPolarHBondContact O-CD 3.49Å; P721-V735 HydrophobicContact CB-CG1 4.26Å; P721-L736 CarbonylContact C-O 3.43Å |
| 722 | R | 97.8 | Very high | 95.8 | Very high | 112 Ų | 112 | 46.5 Ų | 46.5 | 42% | 0.423 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | -45.5 | -172.6 | -59.9 | -63.4 | -68.9 | 179.4 | -7.3 | 113.5 | L736 | R722-L736 HydrophobicContact CB-CB 4.26Å; R722-L736 PolarHBondContact N-O 3.05Å |
| 723 | K | 98.3 | Very high | 96.3 | Very high | 58 Ų | 58 | 45 Ų | 45 | 25% | 0.252 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 148.2 | 178.8 | -65.7 | -64.2 | 175.4 | -165.2 | 0 | 111.1 | D361 V735 L736 L816 | D361-K723 HydrophobicContact CB-CD 4.2Å; D361-K723 WeakPolarHBondContact OD2-CA 3.21Å; D361-K723 WeakPolarHBondContact OD2-CD 3.39Å; K723-V735 CarbonylContact O-C 3.57Å; K723-V735 VanDerWaalsContact O-CA 3.27Å; K723-V735 WeakPolarHBondContact O-CA 3.39Å; K723-L736 HydrophobicContact CB-CB 4.13Å; K723-L736 HydrophobicContact CB-CD1 4.01Å; K723-L736 HydrophobicContact CB-CG 4.13Å; K723-L736 HydrophobicContact CG-CD1 4.19Å; K723-L736 PolarHBondContact N-O 3.1Å; K723-L736 PolarHBondContact O-N 3.06Å; K723-L816 HydrophobicContact CB-CB 3.95Å |
| 724 | I | 98.4 | Very high | 96.7 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 5% | 0.046 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 140.8 | 177.6 | -173.2 | 164.2 | 0 | 0 | 0 | 111.6 | D361 C363 V376 L387 F733 G734 V735 | D361-I724 HydrophobicContact CB-CG2 4.31Å; D361-I724 PolarHBondContact OD2-N 3.36Å; C363-I724 HydrophobicContact CB-CG2 4.38Å; V376-I724 HydrophobicContact CB-CD1 4.27Å; V376-I724 HydrophobicContact CG1-CD1 3.63Å; L387-I724 HydrophobicContact CD2-CD1 4.31Å; I724-F733 HydrophobicContact CD1-CB 4.48Å; I724-F733 HydrophobicContact CD1-CD1 3.9Å; I724-F733 HydrophobicContact CD1-CG 4.4Å; I724-F733 HydrophobicContact CG1-CD1 4.17Å; I724-G734 WeakPolarHBondContact CA-O 3.28Å; I724-V735 HydrophobicContact CB-CG2 4.31Å; I724-V735 HydrophobicContact CD1-CG2 3.92Å; I724-V735 HydrophobicContact CG1-CG2 3.88Å |
| 725 | C | 97.8 | Very high | 97 | Very high | 15 Ų | 15 | 37 Ų | 37 | 10% | 0.101 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 152.4 | 164.2 | 68.3 | 0 | 0 | 0 | 0 | 110.3 | F733 G734 L816 S818 | C725-F733 CarbonylContact O-C 3.56Å; C725-F733 WeakPolarHBondContact O-CA 3.38Å; C725-G734 PolarHBondContact N-O 3.13Å; C725-G734 PolarHBondContact O-N 3.26Å; C725-L816 HydrophobicContact CB-CD2 4.43Å; C725-L816 HydrophobicContact CB-CG 4.4Å; C725-L816 VanDerWaalsContact SG-CG 3.56Å; C725-S818 VanDerWaalsContact SG-CB 3.59Å |
| 726 | Y | 97.2 | Very high | 97.1 | Very high | 52 Ų | 52 | 36.2 Ų | 36.2 | 20% | 0.204 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 137.8 | 175.2 | 174.3 | -121.1 | 0 | 0 | 0 | 110.3 | V365 L367 E728 Q731 C732 F733 Q796 | V365-Y726 HydrophobicContact CB-CD1 4.44Å; V365-Y726 HydrophobicContact CG1-CD1 3.63Å; V365-Y726 HydrophobicContact CG1-CD2 4.3Å; V365-Y726 HydrophobicContact CG1-CE1 4.35Å; V365-Y726 HydrophobicContact CG1-CG 3.59Å; L367-Y726 HydrophobicContact CD2-CE2 4.19Å; Y726-E728 HydrophobicContact CE1-CB 3.78Å; Y726-E728 HydrophobicContact CE1-CG 4.19Å; Y726-Q731 PolarHBondContact OH-NE2 3.25Å; Y726-C732 WeakPolarHBondContact CD2-O 3.29Å; Y726-F733 HydrophobicContact CD2-CD1 4.05Å; Y726-F733 AromaticContact CD2-CE1 3.88Å; Y726-F733 HydrophobicContact CD2-CE1 3.88Å; Y726-F733 HydrophobicContact CD2-CG 4.5Å; Y726-F733 HydrophobicContact CD2-CZ 4.18Å; Y726-F733 HydrophobicContact CG-CD1 4.44Å; Y726-F733 HydrophobicContact CG-CE1 4.19Å; Y726-Q796 HydrophobicContact CE2-CB 4.42Å; Y726-Q796 PolarHBondContact OH-OE1 2.89Å |
| 727 | Q | 96.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 33.1 Ų | 33.1 | 2% | 0.023 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 100.8 | 173.4 | -174.8 | 171.3 | 104.9 | 0 | 0 | 109.7 | V729 S730 Q731 C732 S818 T827 F829 | Q727-V729 VanDerWaalsContact C-N 3.33Å; Q727-V729 PolarHBondContact O-N 2.87Å; Q727-S730 WeakPolarHBondContact CB-OG 3.3Å; Q727-S730 WeakPolarHBondContact CG-OG 3.49Å; Q727-S730 PolarHBondContact O-N 2.82Å; Q727-S730 PolarHBondContact O-OG 3.45Å; Q727-S730 PolarHBondContact OE1-OG 3.24Å; Q727-S730 VanDerWaalsContact OE1-OG 3.08Å; Q727-Q731 PolarHBondContact O-N 3.33Å; Q727-C732 PolarHBondContact N-O 2.93Å; Q727-C732 PolarHBondContact O-N 3.02Å; Q727-S818 VanDerWaalsContact CB-OG 3.31Å; Q727-S818 WeakPolarHBondContact CB-OG 3.43Å; Q727-S818 WeakPolarHBondContact CG-OG 3.5Å; Q727-S818 PolarHBondContact NE2-OG 3.43Å; Q727-T827 HydrophobicContact CG-CG2 3.93Å; Q727-F829 HydrophobicContact CB-CE1 3.79Å; Q727-F829 HydrophobicContact CB-CE2 4.18Å; Q727-F829 HydrophobicContact CB-CZ 3.42Å; Q727-F829 VanDerWaalsContact CB-CZ 3.42Å; Q727-F829 HydrophobicContact CG-CZ 4.21Å |
| 728 | E | 92.2 | Very high | 97.1 | Very high | 105 Ų | 105 | 33.2 Ų | 33.2 | 49% | 0.491 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -60.8 | -39.9 | -176.1 | -170.2 | -177.7 | -177.9 | 0 | 0 | 112.6 | R369 Y726 S730 Q731 | R369-E728 IonicContact CZ-OE1 3.12Å; R369-E728 IonicContact NH2-OE1 3.03Å; R369-E728 PolarHBondContact NH2-OE1 3.46Å; Y726-E728 HydrophobicContact CE1-CB 3.78Å; Y726-E728 HydrophobicContact CE1-CG 4.19Å; E728-S730 VanDerWaalsContact C-N 3.26Å; E728-S730 PolarHBondContact O-N 3.44Å; E728-Q731 PolarHBondContact O-N 2.84Å; E728-Q731 PolarHBondContact O-NE2 3.33Å |
| 729 | V | 93.6 | Very high | 97.1 | Very high | 110 Ų | 110 | 28.6 Ų | 28.6 | 67% | 0.667 | 14% | 0.139 | S | C | * | . | G | 310 helix | trans | -61.6 | -35.9 | -176.3 | -179.6 | 0 | 0 | 0 | 0 | 112.3 | Q727 | Q727-V729 VanDerWaalsContact C-N 3.33Å; Q727-V729 PolarHBondContact O-N 2.87Å |
| 730 | S | 94.9 | Very high | 96.8 | Very high | 28 Ų | 28 | 30.3 Ų | 30.3 | 20% | 0.196 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -93.5 | -4.8 | 176.8 | 62.8 | 0 | 0 | 0 | 0 | 113.4 | Q727 E728 C732 | Q727-S730 WeakPolarHBondContact CB-OG 3.3Å; Q727-S730 WeakPolarHBondContact CG-OG 3.49Å; Q727-S730 PolarHBondContact O-N 2.82Å; Q727-S730 PolarHBondContact O-OG 3.45Å; Q727-S730 PolarHBondContact OE1-OG 3.24Å; Q727-S730 VanDerWaalsContact OE1-OG 3.08Å; E728-S730 VanDerWaalsContact C-N 3.26Å; E728-S730 PolarHBondContact O-N 3.44Å; S730-C732 PolarHBondContact O-N 3.26Å; S730-C732 PolarHBondContact O-SG 2.84Å |
| 731 | Q | 94.8 | Very high | 96.5 | Very high | 65 Ų | 65 | 30.4 Ų | 30.4 | 30% | 0.304 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 41.1 | -174.2 | -59.6 | -74.2 | -84.2 | 0 | 0 | 111.9 | Y726 Q727 E728 Q796 | Y726-Q731 PolarHBondContact OH-NE2 3.25Å; Q727-Q731 PolarHBondContact O-N 3.33Å; E728-Q731 PolarHBondContact O-N 2.84Å; E728-Q731 PolarHBondContact O-NE2 3.33Å; Q731-Q796 VanDerWaalsContact CA-OE1 3.23Å; Q731-Q796 HydrophobicContact CB-CG 4.12Å; Q731-Q796 VanDerWaalsContact CD-OE1 3.29Å; Q731-Q796 WeakPolarHBondContact O-CB 3.3Å; Q731-Q796 WeakPolarHBondContact O-CG 3.21Å; Q731-Q796 PolarHBondContact O-N 3.37Å; Q731-Q796 VanDerWaalsContact OE1-CD 3.31Å |
| 732 | C | 97 | Very high | 96 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.02 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 153.5 | -174.9 | -65.6 | 0 | 0 | 0 | 0 | 111.5 | Y726 Q727 S730 I793 I794 | Y726-C732 WeakPolarHBondContact CD2-O 3.29Å; Q727-C732 PolarHBondContact N-O 2.93Å; Q727-C732 PolarHBondContact O-N 3.02Å; S730-C732 PolarHBondContact O-N 3.26Å; S730-C732 PolarHBondContact O-SG 2.84Å; C732-I793 HydrophobicContact CB-CG2 3.86Å; C732-I794 CarbonylContact C-O 3.55Å; C732-I794 WeakPolarHBondContact CA-O 3.35Å; C732-I794 WeakPolarHBondContact CB-O 3.31Å |
| 733 | F | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 138 | 163.4 | -62.5 | -83.6 | 0 | 0 | 0 | 110.3 | V365 L367 V376 I724 C725 Y726 V735 I793 I794 Q796 F799 | V365-F733 HydrophobicContact CG1-CE1 3.85Å; V365-F733 HydrophobicContact CG1-CZ 4.29Å; V365-F733 HydrophobicContact CG2-CE1 4.33Å; V365-F733 HydrophobicContact CG2-CZ 4.08Å; L367-F733 HydrophobicContact CD2-CZ 4.29Å; V376-F733 HydrophobicContact CB-CE1 4.43Å; V376-F733 HydrophobicContact CG2-CE1 4.09Å; V376-F733 HydrophobicContact CG2-CZ 3.93Å; I724-F733 HydrophobicContact CD1-CB 4.48Å; I724-F733 HydrophobicContact CD1-CD1 3.9Å; I724-F733 HydrophobicContact CD1-CG 4.4Å; I724-F733 HydrophobicContact CG1-CD1 4.17Å; C725-F733 CarbonylContact O-C 3.56Å; C725-F733 WeakPolarHBondContact O-CA 3.38Å; Y726-F733 HydrophobicContact CD2-CD1 4.05Å; Y726-F733 AromaticContact CD2-CE1 3.88Å; Y726-F733 HydrophobicContact CD2-CE1 3.88Å; Y726-F733 HydrophobicContact CD2-CG 4.5Å; Y726-F733 HydrophobicContact CD2-CZ 4.18Å; Y726-F733 HydrophobicContact CG-CD1 4.44Å; Y726-F733 HydrophobicContact CG-CE1 4.19Å; F733-V735 HydrophobicContact CB-CG2 4.37Å; F733-I793 WeakPolarHBondContact O-CA 3.32Å; F733-I794 HydrophobicContact CB-CB 4.33Å; F733-I794 PolarHBondContact N-O 2.86Å; F733-I794 PolarHBondContact O-N 3.46Å; F733-Q796 HydrophobicContact CD2-CB 4.39Å; F733-Q796 HydrophobicContact CE2-CB 3.93Å; F733-F799 HydrophobicContact CD2-CE1 4.18Å; F733-F799 AromaticContact CE2-CE1 3.71Å; F733-F799 HydrophobicContact CE2-CE1 3.71Å; F733-F799 HydrophobicContact CE2-CZ 4.1Å; F733-F799 HydrophobicContact CZ-CE1 4.43Å |
| 734 | G | 98.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 126.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | I724 C725 L792 L816 | I724-G734 WeakPolarHBondContact CA-O 3.28Å; C725-G734 PolarHBondContact N-O 3.13Å; C725-G734 PolarHBondContact O-N 3.26Å; G734-L792 CarbonylContact C-O 3.49Å; G734-L792 WeakPolarHBondContact CA-O 3.23Å; G734-L816 WeakPolarHBondContact O-CD2 3.19Å |
| 735 | V | 98.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 125.3 | 178.6 | 178.3 | 0 | 0 | 0 | 0 | 109.7 | L387 P721 K723 I724 F733 L792 I794 | L387-V735 HydrophobicContact CD1-CG2 4.21Å; L387-V735 HydrophobicContact CD2-CG1 4.42Å; L387-V735 HydrophobicContact CD2-CG2 4.32Å; P721-V735 HydrophobicContact CB-CG1 4.26Å; K723-V735 CarbonylContact O-C 3.57Å; K723-V735 VanDerWaalsContact O-CA 3.27Å; K723-V735 WeakPolarHBondContact O-CA 3.39Å; I724-V735 HydrophobicContact CB-CG2 4.31Å; I724-V735 HydrophobicContact CD1-CG2 3.92Å; I724-V735 HydrophobicContact CG1-CG2 3.88Å; F733-V735 HydrophobicContact CB-CG2 4.37Å; V735-L792 HydrophobicContact CB-CB 4.28Å; V735-L792 PolarHBondContact N-O 2.86Å; V735-L792 PolarHBondContact O-N 2.81Å; V735-I794 HydrophobicContact CB-CD1 4.23Å; V735-I794 HydrophobicContact CG2-CD1 3.88Å |
| 736 | L | 98.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 131.9 | 165.1 | -61 | -175.9 | 0 | 0 | 0 | 109 | P721 R722 K723 N790 L791 F807 A813 L816 V831 | P721-L736 CarbonylContact C-O 3.43Å; R722-L736 HydrophobicContact CB-CB 4.26Å; R722-L736 PolarHBondContact N-O 3.05Å; K723-L736 HydrophobicContact CB-CB 4.13Å; K723-L736 HydrophobicContact CB-CD1 4.01Å; K723-L736 HydrophobicContact CB-CG 4.13Å; K723-L736 HydrophobicContact CG-CD1 4.19Å; K723-L736 PolarHBondContact N-O 3.1Å; K723-L736 PolarHBondContact O-N 3.06Å; L736-N790 VanDerWaalsContact CA-O 3.31Å; L736-N790 WeakPolarHBondContact CA-O 3.36Å; L736-L791 HydrophobicContact CD2-CB 4.03Å; L736-L791 HydrophobicContact CD2-CD1 3.98Å; L736-F807 HydrophobicContact CD2-CE2 4.4Å; L736-A813 HydrophobicContact CD1-CB 3.82Å; L736-A813 HydrophobicContact CD2-CB 3.99Å; L736-A813 HydrophobicContact CG-CB 4.36Å; L736-L816 HydrophobicContact CD1-CB 3.85Å; L736-L816 HydrophobicContact CG-CB 3.93Å; L736-L816 HydrophobicContact CG-CD2 4.14Å; L736-L816 HydrophobicContact CG-CG 4.49Å; L736-V831 HydrophobicContact CD1-CG1 4.22Å; L736-V831 HydrophobicContact CD2-CG1 3.97Å; L736-V831 HydrophobicContact CD2-CG2 4.06Å |
| 737 | S | 98.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 161.3 | 175.5 | 64.8 | 0 | 0 | 0 | 0 | 111.6 | E719 S720 H789 N790 | E719-S737 WeakPolarHBondContact OE1-CB 3.42Å; E719-S737 PolarHBondContact OE1-OG 2.8Å; S720-S737 CarbonylContact O-C 3.59Å; S720-S737 WeakPolarHBondContact O-CA 3.39Å; S737-H789 CarbonylContact O-C 3.48Å; S737-H789 WeakPolarHBondContact O-CA 3.33Å; S737-N790 PolarHBondContact N-O 2.95Å; S737-N790 PolarHBondContact O-N 3.26Å |
| 738 | S | 97.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 140.4 | 167.8 | 64.5 | 0 | 0 | 0 | 0 | 112 | E719 S720 E787 V788 | E719-S738 WeakPolarHBondContact CB-O 3.18Å; S720-S738 PolarHBondContact N-O 3.06Å; S720-S738 PolarHBondContact O-N 3.07Å; S738-E787 WeakPolarHBondContact CB-OE1 3.49Å; S738-E787 PolarHBondContact OG-OE1 2.76Å; S738-V788 VanDerWaalsContact CA-O 3.29Å; S738-V788 WeakPolarHBondContact CA-O 3.29Å |
| 739 | R | 95.7 | Very high | 89.7 | Confident | 19 Ų | 19 | 35.9 Ų | 35.9 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 158.5 | 173.6 | 70 | 175.7 | -177.4 | -83.4 | -6.2 | 110.1 | E719 E741 S757 V788 N790 | E719-R739 HydrophobicContact CB-CB 3.97Å; R739-E741 HydrophobicContact CG-CG 4.46Å; R739-E741 IonicContact CZ-OE1 3.1Å; R739-E741 IonicContact NE-OE1 2.74Å; R739-E741 PolarHBondContact NE-OE1 3.41Å; R739-E741 IonicContact NH2-OE1 2.77Å; R739-E741 PolarHBondContact NH2-OE1 2.89Å; R739-S757 PolarHBondContact NH1-OG 2.72Å; R739-V788 HydrophobicContact CG-CB 4.14Å; R739-V788 PolarHBondContact N-O 2.84Å; R739-V788 PolarHBondContact O-N 3.39Å; R739-N790 VanDerWaalsContact NH1-CG 3.31Å; R739-N790 PolarHBondContact NH1-ND2 2.91Å; R739-N790 PolarHBondContact NH1-OD1 2.88Å |
| 740 | I | 92.1 | Very high | 89.4 | Confident | 39 Ų | 39 | 34.1 Ų | 34.1 | 20% | 0.2 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 129.9 | 174.6 | -54.9 | -58.8 | 0 | 0 | 0 | 109.3 | F382 L752 E785 E787 | F382-I740 HydrophobicContact CD1-CG1 4.35Å; I740-L752 HydrophobicContact CB-CD1 4.26Å; I740-L752 HydrophobicContact CG2-CD1 3.96Å; I740-E785 HydrophobicContact CG2-CB 3.81Å; I740-E785 HydrophobicContact CG2-CG 3.85Å; I740-E787 HydrophobicContact CD1-CB 4.22Å; I740-E787 HydrophobicContact CD1-CG 4.31Å |
| 741 | E | 92.2 | Very high | 89.1 | Confident | 14 Ų | 14 | 34.2 Ų | 34.2 | 7% | 0.065 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 151.6 | 169.9 | -56 | -165.2 | 162.4 | 0 | 0 | 109.9 | R739 T749 T750 A751 E785 V786 V788 | R739-E741 HydrophobicContact CG-CG 4.46Å; R739-E741 IonicContact CZ-OE1 3.1Å; R739-E741 IonicContact NE-OE1 2.74Å; R739-E741 PolarHBondContact NE-OE1 3.41Å; R739-E741 IonicContact NH2-OE1 2.77Å; R739-E741 PolarHBondContact NH2-OE1 2.89Å; E741-T749 WeakPolarHBondContact OE2-CB 3.5Å; E741-T749 PolarHBondContact OE2-OG1 3.39Å; E741-T750 CarbonylContact C-O 3.51Å; E741-T750 VanDerWaalsContact CA-O 3.3Å; E741-T750 WeakPolarHBondContact CA-O 3.12Å; E741-T750 WeakPolarHBondContact CB-O 3.35Å; E741-A751 HydrophobicContact CG-CB 4.3Å; E741-E785 CarbonylContact O-C 3.57Å; E741-E785 WeakPolarHBondContact O-CA 3.31Å; E741-V786 PolarHBondContact N-O 2.93Å; E741-V786 PolarHBondContact O-N 3.48Å; E741-V788 HydrophobicContact CB-CG2 4.4Å; E741-V788 HydrophobicContact CG-CG2 3.77Å |
| 742 | V | 86.9 | Confident | 88.6 | Confident | 33 Ų | 33 | 34.9 Ų | 34.9 | 20% | 0.2 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 138.8 | 176.2 | 176.1 | 0 | 0 | 0 | 0 | 109.6 | D744 T749 T750 L752 | V742-D744 PolarHBondContact O-N 3.16Å; V742-T749 WeakPolarHBondContact O-CA 3.44Å; V742-T750 PolarHBondContact N-O 2.75Å; V742-T750 PolarHBondContact O-N 2.91Å; V742-L752 HydrophobicContact CB-CD2 4.39Å; V742-L752 HydrophobicContact CG2-CD1 4.23Å; V742-L752 HydrophobicContact CG2-CD2 3.42Å; V742-L752 VanDerWaalsContact CG2-CD2 3.42Å; V742-L752 HydrophobicContact CG2-CG 3.87Å |
| 743 | Q | 82.2 | Confident | 88.3 | Confident | 17 Ų | 17 | 38.2 Ų | 38.2 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 122.2 | 178.6 | -163.7 | 154.7 | 38 | 0 | 0 | 112.3 | G747 G748 T780 G783 E784 | Q743-G747 PolarHBondContact NE2-O 2.95Å; Q743-G748 CarbonylContact C-O 3.58Å; Q743-G748 WeakPolarHBondContact CA-O 3.35Å; Q743-T780 VanDerWaalsContact OE1-CB 3.32Å; Q743-G783 PolarHBondContact O-N 3.27Å; Q743-E784 PolarHBondContact N-O 3.39Å |
| 744 | D | 78.2 | Confident | 88.1 | Confident | 57 Ų | 57 | 42 Ų | 42 | 31% | 0.305 | 26% | 0.262 | S | S | . | . | trans | -78.7 | 162.3 | -179.9 | -69.9 | -41.3 | 0 | 0 | 0 | 112.7 | V742 S746 G747 G748 T750 | V742-D744 PolarHBondContact O-N 3.16Å; D744-S746 PolarHBondContact O-N 3.23Å; D744-G747 PolarHBondContact O-N 2.85Å; D744-G748 PolarHBondContact N-O 2.86Å; D744-T750 WeakPolarHBondContact OD2-CB 3.46Å; D744-T750 PolarHBondContact OD2-OG1 2.93Å | ||
| 745 | T | 73.3 | Confident | 88 | Confident | 132 Ų | 132 | 42 Ų | 42 | 81% | 0.81 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -22.2 | 174.5 | 59.1 | 0 | 0 | 0 | 0 | 114.5 | G747 F782 | T745-G747 VanDerWaalsContact C-N 3.33Å; T745-F782 HydrophobicContact CG2-CD2 3.69Å; T745-F782 HydrophobicContact CG2-CE2 3.61Å |
| 746 | S | 76.7 | Confident | 88 | Confident | 103 Ų | 103 | 42.4 Ų | 42.4 | 72% | 0.72 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 0.9 | 177 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | D744 G748 | D744-S746 PolarHBondContact O-N 3.23Å; S746-G748 VanDerWaalsContact C-N 3.25Å; S746-G748 PolarHBondContact O-N 2.84Å |
| 747 | G | 70.8 | Confident | 87.9 | Confident | 47 Ų | 47 | 42.8 Ų | 42.8 | 49% | 0.485 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 80 | -1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q743 D744 T745 | Q743-G747 PolarHBondContact NE2-O 2.95Å; D744-G747 PolarHBondContact O-N 2.85Å; T745-G747 VanDerWaalsContact C-N 3.33Å |
| 748 | G | 80.3 | Confident | 87.8 | Confident | 32 Ų | 32 | 45.9 Ų | 45.9 | 33% | 0.33 | 29% | 0.287 | S | S | . | . | trans | -77.8 | 176.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q743 D744 S746 | Q743-G748 CarbonylContact C-O 3.58Å; Q743-G748 WeakPolarHBondContact CA-O 3.35Å; D744-G748 PolarHBondContact N-O 2.86Å; S746-G748 VanDerWaalsContact C-N 3.25Å; S746-G748 PolarHBondContact O-N 2.84Å | ||
| 749 | T | 85.1 | Confident | 87.7 | Confident | 51 Ų | 51 | 51.8 Ų | 51.8 | 31% | 0.313 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 142.2 | 174.9 | 53.8 | 0 | 0 | 0 | 0 | 109.7 | E741 V742 V786 | E741-T749 WeakPolarHBondContact OE2-CB 3.5Å; E741-T749 PolarHBondContact OE2-OG1 3.39Å; V742-T749 WeakPolarHBondContact O-CA 3.44Å; T749-V786 HydrophobicContact CG2-CB 4.39Å; T749-V786 HydrophobicContact CG2-CG2 4.15Å |
| 750 | T | 86.8 | Confident | 87.7 | Confident | 73 Ų | 73 | 51.7 Ų | 51.7 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 131.6 | 177.3 | -72.8 | 0 | 0 | 0 | 0 | 109.7 | E741 V742 D744 | E741-T750 CarbonylContact C-O 3.51Å; E741-T750 VanDerWaalsContact CA-O 3.3Å; E741-T750 WeakPolarHBondContact CA-O 3.12Å; E741-T750 WeakPolarHBondContact CB-O 3.35Å; V742-T750 PolarHBondContact N-O 2.75Å; V742-T750 PolarHBondContact O-N 2.91Å; D744-T750 WeakPolarHBondContact OD2-CB 3.46Å; D744-T750 PolarHBondContact OD2-OG1 2.93Å |
| 751 | A | 88.5 | Confident | 87.9 | Confident | 30 Ų | 30 | 55.7 Ų | 55.7 | 25% | 0.248 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 134 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E741 R753 T758 | E741-A751 HydrophobicContact CG-CB 4.3Å; A751-R753 PolarHBondContact O-N 2.85Å; A751-T758 HydrophobicContact CB-CG2 4.28Å |
| 752 | L | 85.7 | Confident | 88.1 | Confident | 79 Ų | 79 | 57 Ų | 57 | 41% | 0.414 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -63.8 | -29 | -180 | -74.6 | 174.1 | 0 | 0 | 0 | 113.2 | I740 V742 | I740-L752 HydrophobicContact CB-CD1 4.26Å; I740-L752 HydrophobicContact CG2-CD1 3.96Å; V742-L752 HydrophobicContact CB-CD2 4.39Å; V742-L752 HydrophobicContact CG2-CD1 4.23Å; V742-L752 HydrophobicContact CG2-CD2 3.42Å; V742-L752 VanDerWaalsContact CG2-CD2 3.42Å; V742-L752 HydrophobicContact CG2-CG 3.87Å |
| 753 | R | 89.9 | Confident | 88.5 | Confident | 74 Ų | 74 | 60 Ų | 60 | 28% | 0.279 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -155.7 | 159.2 | -178.5 | 62.4 | -173.3 | 69.6 | -137.3 | -0.7 | 111.2 | E307 A751 S755 | E307-R753 IonicContact OE2-NH1 2.98Å; E307-R753 PolarHBondContact OE2-NH1 2.84Å; E307-R753 IonicContact OE2-NH2 3.63Å; A751-R753 PolarHBondContact O-N 2.85Å; R753-S755 PolarHBondContact O-N 3.32Å |
| 754 | P | 94.5 | Very high | 89.1 | Confident | 78 Ų | 78 | 60.8 Ų | 60.8 | 51% | 0.506 | 38% | 0.38 | S | S | . | . | trans | -62 | 133.8 | 166.6 | -18.2 | 31.5 | 0 | 0 | 0 | 111 | Q759 | P754-Q759 HydrophobicContact CB-CG 4.16Å; P754-Q759 VanDerWaalsContact CB-NE2 3.28Å | ||
| 755 | S | 96.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.007 | 39% | 0.391 | C | S | . | . | trans | -136.7 | 172.2 | 175.9 | 71.3 | 0 | 0 | 0 | 0 | 111.8 | E719 R753 S757 T758 Q759 | E719-S755 WeakPolarHBondContact OE2-CB 3.23Å; E719-S755 PolarHBondContact OE2-OG 3.24Å; R753-S755 PolarHBondContact O-N 3.32Å; S755-S757 VanDerWaalsContact C-N 3.29Å; S755-S757 PolarHBondContact O-N 2.96Å; S755-S757 PolarHBondContact OG-OG 2.82Å; S755-T758 PolarHBondContact N-OG1 2.85Å; S755-T758 PolarHBondContact O-N 3.4Å; S755-T758 PolarHBondContact O-OG1 3.21Å; S755-Q759 PolarHBondContact O-N 3.48Å | ||
| 756 | A | 97 | Very high | 90.6 | Very high | 9 Ų | 9 | 56.6 Ų | 56.6 | 7% | 0.074 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -46.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L717 E719 T758 Q759 A760 L792 V801 | L717-A756 HydrophobicContact CB-CB 3.93Å; L717-A756 HydrophobicContact CD2-CB 3.72Å; L717-A756 HydrophobicContact CG-CB 4.41Å; L717-A756 WeakPolarHBondContact O-CB 3.24Å; L717-A756 PolarHBondContact O-N 3.2Å; E719-A756 HydrophobicContact CG-CB 4.39Å; A756-T758 PolarHBondContact O-N 2.76Å; A756-Q759 PolarHBondContact O-N 2.89Å; A756-A760 PolarHBondContact O-N 2.91Å; A756-A760 VanDerWaalsContact O-N 3.15Å; A756-L792 HydrophobicContact CB-CD1 3.91Å; A756-V801 HydrophobicContact CB-CG2 3.91Å |
| 757 | S | 96.8 | Very high | 90.9 | Very high | 7 Ų | 7 | 56.7 Ų | 56.7 | 5% | 0.049 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -34.4 | 177.7 | 62.6 | 0 | 0 | 0 | 0 | 113.7 | E719 R739 S755 A804 | E719-S757 WeakPolarHBondContact OE1-CB 3.46Å; E719-S757 PolarHBondContact OE1-N 2.79Å; E719-S757 VanDerWaalsContact OE1-N 3.17Å; E719-S757 WeakPolarHBondContact OE2-CB 3.38Å; E719-S757 PolarHBondContact OE2-N 2.89Å; E719-S757 PolarHBondContact OE2-OG 3Å; R739-S757 PolarHBondContact NH1-OG 2.72Å; S755-S757 VanDerWaalsContact C-N 3.29Å; S755-S757 PolarHBondContact O-N 2.96Å; S755-S757 PolarHBondContact OG-OG 2.82Å; S757-A804 WeakPolarHBondContact O-CB 3.47Å |
| 758 | T | 96.3 | Very high | 90.9 | Very high | 65 Ų | 65 | 55.4 Ų | 55.4 | 40% | 0.399 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -22.1 | -179.6 | 67.3 | 0 | 0 | 0 | 0 | 113.7 | A751 S755 A756 | A751-T758 HydrophobicContact CB-CG2 4.28Å; S755-T758 PolarHBondContact N-OG1 2.85Å; S755-T758 PolarHBondContact O-N 3.4Å; S755-T758 PolarHBondContact O-OG1 3.21Å; A756-T758 PolarHBondContact O-N 2.76Å |
| 759 | Q | 96.1 | Very high | 90.4 | Very high | 127 Ų | 127 | 64.3 Ų | 64.3 | 59% | 0.593 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -105.4 | 6.8 | -178.2 | -66.5 | -174.8 | -26.6 | 0 | 0 | 113.2 | P754 S755 A756 | P754-Q759 HydrophobicContact CB-CG 4.16Å; P754-Q759 VanDerWaalsContact CB-NE2 3.28Å; S755-Q759 PolarHBondContact O-N 3.48Å; A756-Q759 PolarHBondContact O-N 2.89Å |
| 760 | A | 96.1 | Very high | 89.5 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 15% | 0.149 | 38% | 0.376 | C | S | . | . | trans | -58.4 | 146.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A756 S762 V801 A804 | A756-A760 PolarHBondContact O-N 2.91Å; A756-A760 VanDerWaalsContact O-N 3.15Å; A760-S762 PolarHBondContact O-N 3.02Å; A760-V801 WeakPolarHBondContact CA-O 3.42Å; A760-V801 HydrophobicContact CB-CB 4.22Å; A760-V801 HydrophobicContact CB-CG1 3.58Å; A760-A804 HydrophobicContact CB-CB 3.54Å | ||
| 761 | L | 95.8 | Very high | 88.6 | Confident | 122 Ų | 122 | 63.2 Ų | 63.2 | 64% | 0.639 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -60.7 | -28.6 | 179.8 | -64.6 | 179.6 | 0 | 0 | 0 | 113 | V801 L802 | L761-V801 PolarHBondContact N-O 2.95Å; L761-L802 HydrophobicContact CD1-CD2 4Å |
| 762 | S | 96.2 | Very high | 87.1 | Confident | 43 Ų | 43 | 65.8 Ų | 65.8 | 30% | 0.301 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -145.6 | 153 | 172.9 | 62.1 | 0 | 0 | 0 | 0 | 110.4 | A760 L802 H803 A804 | A760-S762 PolarHBondContact O-N 3.02Å; S762-L802 PolarHBondContact N-O 3.24Å; S762-L802 PolarHBondContact OG-O 2.99Å; S762-H803 CarbonylContact O-C 3.53Å; S762-H803 VanDerWaalsContact O-CA 3.25Å; S762-H803 WeakPolarHBondContact O-CA 3.4Å; S762-H803 PolarHBondContact O-ND1 2.82Å; S762-H803 PolarHBondContact OG-ND1 3.28Å; S762-A804 PolarHBondContact O-N 3.04Å |
| 763 | S | 95.5 | Very high | 85.5 | Confident | 94 Ų | 94 | 67.9 Ų | 67.9 | 66% | 0.657 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 155.6 | 179.3 | 61.3 | 0 | 0 | 0 | 0 | 112.1 | A804 | S763-A804 CarbonylContact C-O 3.58Å; S763-A804 WeakPolarHBondContact CA-O 3.4Å |
| 764 | S | 95.7 | Very high | 83.3 | Confident | 35 Ų | 35 | 68.6 Ų | 68.6 | 25% | 0.245 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 159.1 | 170.6 | 61.3 | 0 | 0 | 0 | 0 | 109.9 | H803 A804 H805 Q806 | S764-H803 PolarHBondContact OG-NE2 2.85Å; S764-A804 PolarHBondContact N-O 2.73Å; S764-H805 CarbonylContact O-C 3.57Å; S764-H805 WeakPolarHBondContact O-CA 3.34Å; S764-H805 PolarHBondContact OG-ND1 3.39Å; S764-Q806 PolarHBondContact O-N 3.24Å |
| 765 | V | 93.5 | Very high | 81 | Confident | 90 Ų | 90 | 68.1 Ų | 68.1 | 55% | 0.545 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139.8 | 178.8 | -175.3 | 0 | 0 | 0 | 0 | 108.1 | S767 Q806 | V765-S767 PolarHBondContact O-N 2.81Å; V765-Q806 CarbonylContact C-O 3.57Å; V765-Q806 WeakPolarHBondContact CA-O 3.2Å; V765-Q806 HydrophobicContact CG2-CB 4.28Å |
| 766 | S | 89.6 | Confident | 78.4 | Confident | 10 Ų | 10 | 71.3 Ų | 71.3 | 7% | 0.07 | 43% | 0.434 | C | S | . | . | trans | -55.6 | 130.5 | 172.4 | -91.3 | 0 | 0 | 0 | 0 | 111.3 | H805 Q806 L808 R847 | S766-H805 PolarHBondContact N-CE1 3.33Å; S766-H805 PolarHBondContact OG-NE2 2.83Å; S766-Q806 PolarHBondContact N-O 3.3Å; S766-L808 VanDerWaalsContact O-CD2 3.24Å; S766-L808 WeakPolarHBondContact O-CD2 3.33Å; S766-R847 PolarHBondContact OG-NH2 2.86Å | ||
| 767 | S | 81.4 | Confident | 75.8 | Confident | 106 Ų | 106 | 77 Ų | 77 | 74% | 0.741 | 47% | 0.471 | S | S | * | . | trans | -125.4 | 100.2 | 169.1 | 65.5 | 0 | 0 | 0 | 0 | 108.4 | V765 | V765-S767 PolarHBondContact O-N 2.81Š| ||
| 768 | S | 72.5 | Confident | 73.5 | Confident | 20 Ų | 20 | 82.3 Ų | 82.3 | 14% | 0.14 | 49% | 0.494 | C | S | . | . | trans | -112.4 | 136 | 177.8 | -164.4 | 0 | 0 | 0 | 0 | 111.2 | L770 E863 | S768-L770 VanDerWaalsContact C-N 3.26Å; S768-L770 WeakPolarHBondContact OG-CB 3.39Å; S768-L770 PolarHBondContact OG-N 2.93Å; S768-E863 PolarHBondContact OG-OE2 3.34Å | ||
| 769 | K | 69.6 | Low | 71 | Confident | 219 Ų | 219 | 88.7 Ų | 88.7 | 95% | 0.952 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -80.5 | -11.3 | 168.8 | -66 | 179.9 | -178.1 | 173.5 | 0 | 112.4 | ||
| 770 | L | 66 | Low | 68.8 | Low | 83 Ų | 83 | 86.1 Ų | 86.1 | 44% | 0.435 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -76.6 | -33.6 | -175.3 | -62.8 | 166.9 | 0 | 0 | 0 | 111.5 | S768 E865 | S768-L770 VanDerWaalsContact C-N 3.26Å; S768-L770 WeakPolarHBondContact OG-CB 3.39Å; S768-L770 PolarHBondContact OG-N 2.93Å; L770-E865 HydrophobicContact CD1-CB 4.39Å |
| 771 | F | 67.8 | Low | 66.9 | Low | 17 Ų | 17 | 88.8 Ų | 88.8 | 8% | 0.075 | 53% | 0.53 | C | S | . | . | S | Bend | trans | -105.4 | 125.1 | 177.4 | -58 | -63.6 | 0 | 0 | 0 | 109.5 | S773 L808 M835 Q845 R847 | F771-S773 PolarHBondContact O-N 3.4Å; F771-L808 HydrophobicContact CB-CD1 4.11Å; F771-L808 HydrophobicContact CD2-CD1 3.82Å; F771-L808 HydrophobicContact CG-CD1 4.38Å; F771-M835 HydrophobicContact CD1-CG 3.93Å; F771-M835 HydrophobicContact CD1-SD 4.36Å; F771-M835 HydrophobicContact CD2-SD 4.26Å; F771-M835 HydrophobicContact CE1-CG 3.62Å; F771-M835 HydrophobicContact CE1-SD 4.39Å; F771-M835 HydrophobicContact CE2-CG 4.36Å; F771-M835 HydrophobicContact CE2-SD 4.25Å; F771-M835 HydrophobicContact CG-CG 4.45Å; F771-M835 HydrophobicContact CG-SD 4.3Å; F771-M835 HydrophobicContact CZ-CG 3.85Å; F771-M835 HydrophobicContact CZ-SD 4.33Å; F771-Q845 HydrophobicContact CE1-CB 4.06Å; F771-R847 HydrophobicContact CE2-CB 4.44Å; F771-R847 HydrophobicContact CE2-CG 3.97Å; F771-R847 HydrophobicContact CZ-CG 4.45Å |
| 772 | S | 56 | Low | 65.3 | Low | 85 Ų | 85 | 90.4 Ų | 90.4 | 59% | 0.594 | 53% | 0.532 | S | S | * | . | trans | -69.4 | 126.5 | 170.9 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | S774 | S772-S774 PolarHBondContact O-N 3Å; S772-S774 VanDerWaalsContact O-N 3.07Å; S772-S774 VanDerWaalsContact OG-CB 3.3Å; S772-S774 WeakPolarHBondContact OG-CB 3.27Å; S772-S774 PolarHBondContact OG-N 2.81Å; S772-S774 VanDerWaalsContact OG-N 3.14Å; S772-S774 PolarHBondContact OG-OG 3.02Å | ||
| 773 | S | 51.8 | Low | 63.8 | Low | 122 Ų | 122 | 90.2 Ų | 90.2 | 85% | 0.853 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -66.8 | 0.2 | 167.7 | 65 | 0 | 0 | 0 | 0 | 112.8 | F771 T775 | F771-S773 PolarHBondContact O-N 3.4Å; S773-T775 VanDerWaalsContact C-N 3.31Å; S773-T775 PolarHBondContact O-N 2.82Å; S773-T775 VanDerWaalsContact O-N 3.14Å |
| 774 | S | 43.5 | Very low | 63 | Low | 90 Ų | 90 | 90 Ų | 90 | 63% | 0.629 | 53% | 0.526 | S | S | * | . | trans | -84.5 | 68.5 | 177.8 | 75.5 | 0 | 0 | 0 | 0 | 111.3 | S772 A776 | S772-S774 PolarHBondContact O-N 3Å; S772-S774 VanDerWaalsContact O-N 3.07Å; S772-S774 VanDerWaalsContact OG-CB 3.3Å; S772-S774 WeakPolarHBondContact OG-CB 3.27Å; S772-S774 PolarHBondContact OG-N 2.81Å; S772-S774 VanDerWaalsContact OG-N 3.14Å; S772-S774 PolarHBondContact OG-OG 3.02Å; S774-A776 PolarHBondContact O-N 2.87Å | ||
| 775 | T | 47.3 | Very low | 62.5 | Low | 67 Ų | 67 | 93.9 Ų | 93.9 | 41% | 0.411 | 54% | 0.54 | S | S | . | . | trans | -60.6 | 126.8 | 149.2 | 28.5 | 0 | 0 | 0 | 0 | 106.3 | S773 Y837 | S773-T775 VanDerWaalsContact C-N 3.31Å; S773-T775 PolarHBondContact O-N 2.82Å; S773-T775 VanDerWaalsContact O-N 3.14Å; T775-Y837 HydrophobicContact CG2-CE1 4.45Å | ||
| 776 | A | 41.5 | Very low | 62.3 | Low | 69 Ų | 69 | 90.4 Ų | 90.4 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | trans | -51.4 | 146.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | S774 H778 | S774-A776 PolarHBondContact O-N 2.87Å; A776-H778 PolarHBondContact O-CD2 3.33Å; A776-H778 PolarHBondContact O-N 2.85Å | ||
| 777 | P | 42.1 | Very low | 62.4 | Low | 129 Ų | 129 | 92.5 Ų | 92.5 | 84% | 0.838 | 53% | 0.527 | S | S | * | . | trans | -61.6 | 95.3 | 171.8 | 26.3 | -30.4 | 0 | 0 | 0 | 106.1 | ||||
| 778 | H | 48.9 | Very low | 63.1 | Low | 117 Ų | 117 | 88.1 Ų | 88.1 | 54% | 0.542 | 50% | 0.496 | S | S | . | . | trans | -54.6 | 152.4 | 160.2 | -81.4 | -91.3 | 0 | 0 | 0 | 105.9 | A776 T780 | A776-H778 PolarHBondContact O-CD2 3.33Å; A776-H778 PolarHBondContact O-N 2.85Å; H778-T780 HydrophobicContact CB-CG2 4.14Å; H778-T780 PolarHBondContact O-N 2.92Å; H778-T780 PolarHBondContact O-OG1 2.85Å | ||
| 779 | E | 44.9 | Very low | 64.3 | Low | 200 Ų | 200 | 87.3 Ų | 87.3 | 94% | 0.935 | 49% | 0.49 | S | S | * | . | trans | -65.2 | 67.8 | 164.8 | -67 | -177.9 | 159.6 | 0 | 0 | 107.8 | S781 | E779-S781 PolarHBondContact O-N 3.11Å; E779-S781 VanDerWaalsContact O-N 3.09Å | ||
| 780 | T | 49.3 | Very low | 65.7 | Low | 73 Ų | 73 | 77 Ų | 77 | 45% | 0.448 | 45% | 0.445 | S | S | . | . | trans | -66.3 | 107.8 | 176.8 | 43.9 | 0 | 0 | 0 | 0 | 106.3 | Q743 H778 | Q743-T780 VanDerWaalsContact OE1-CB 3.32Å; H778-T780 HydrophobicContact CB-CG2 4.14Å; H778-T780 PolarHBondContact O-N 2.92Å; H778-T780 PolarHBondContact O-OG1 2.85Å | ||
| 781 | S | 56.6 | Low | 67.2 | Low | 74 Ų | 74 | 73 Ų | 73 | 52% | 0.517 | 42% | 0.424 | S | S | . | . | trans | -66.6 | 131.2 | 171.1 | 45.8 | 0 | 0 | 0 | 0 | 109.1 | E779 G783 E784 | E779-S781 PolarHBondContact O-N 3.11Å; E779-S781 VanDerWaalsContact O-N 3.09Å; S781-G783 PolarHBondContact O-N 2.79Å; S781-E784 WeakPolarHBondContact O-CB 3.36Å; S781-E784 PolarHBondContact O-N 2.74Å | ||
| 782 | F | 60.7 | Low | 68.7 | Low | 156 Ų | 156 | 72.2 Ų | 72.2 | 68% | 0.684 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 134.6 | 167.9 | 165.4 | -99 | 0 | 0 | 0 | 110.6 | T745 | T745-F782 HydrophobicContact CG2-CD2 3.69Å; T745-F782 HydrophobicContact CG2-CE2 3.61Å |
| 783 | G | 65.9 | Low | 70.7 | Confident | 38 Ų | 38 | 68.1 Ų | 68.1 | 39% | 0.392 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | 4.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q743 S781 | Q743-G783 PolarHBondContact O-N 3.27Å; S781-G783 PolarHBondContact O-N 2.79Å |
| 784 | E | 78.6 | Confident | 72.9 | Confident | 91 Ų | 91 | 62.3 Ų | 62.3 | 43% | 0.425 | 35% | 0.352 | S | S | . | . | trans | -67.3 | 135.7 | 175.1 | -167.9 | 173 | 177.7 | 0 | 0 | 111.4 | Q743 S781 | Q743-E784 PolarHBondContact N-O 3.39Å; S781-E784 WeakPolarHBondContact O-CB 3.36Å; S781-E784 PolarHBondContact O-N 2.74Å | ||
| 785 | E | 84.7 | Confident | 75.4 | Confident | 116 Ų | 116 | 59.7 Ų | 59.7 | 54% | 0.542 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 131 | 176 | -70.6 | -175.4 | 176.3 | 0 | 0 | 110.7 | I740 E741 | I740-E785 HydrophobicContact CG2-CB 3.81Å; I740-E785 HydrophobicContact CG2-CG 3.85Å; E741-E785 CarbonylContact O-C 3.57Å; E741-E785 WeakPolarHBondContact O-CA 3.31Å |
| 786 | V | 89 | Confident | 77.6 | Confident | 16 Ų | 16 | 56.5 Ų | 56.5 | 10% | 0.097 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 126.6 | 178.7 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | E741 T749 V788 | E741-V786 PolarHBondContact N-O 2.93Å; E741-V786 PolarHBondContact O-N 3.48Å; T749-V786 HydrophobicContact CG2-CB 4.39Å; T749-V786 HydrophobicContact CG2-CG2 4.15Å; V786-V788 HydrophobicContact CG1-CG2 4.5Å |
| 787 | E | 92.4 | Very high | 79.8 | Confident | 54 Ų | 54 | 59 Ų | 59 | 25% | 0.252 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 123.3 | 174.6 | -169.6 | 174 | -170.2 | 0 | 0 | 110.7 | S738 I740 H789 Y812 | S738-E787 WeakPolarHBondContact CB-OE1 3.49Å; S738-E787 PolarHBondContact OG-OE1 2.76Å; I740-E787 HydrophobicContact CD1-CB 4.22Å; I740-E787 HydrophobicContact CD1-CG 4.31Å; E787-H789 IonicContact OE1-CE1 2.78Å; E787-H789 IonicContact OE1-NE2 3.18Å; E787-H789 IonicContact OE2-NE2 2.69Å; E787-Y812 WeakPolarHBondContact OE2-CE1 3.28Å; E787-Y812 PolarHBondContact OE2-OH 3.23Å |
| 788 | V | 95.7 | Very high | 82.1 | Confident | 14 Ų | 14 | 56.3 Ų | 56.3 | 9% | 0.085 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 118.8 | 179.6 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | S738 R739 E741 V786 N790 Q806 | S738-V788 VanDerWaalsContact CA-O 3.29Å; S738-V788 WeakPolarHBondContact CA-O 3.29Å; R739-V788 HydrophobicContact CG-CB 4.14Å; R739-V788 PolarHBondContact N-O 2.84Å; R739-V788 PolarHBondContact O-N 3.39Å; E741-V788 HydrophobicContact CB-CG2 4.4Å; E741-V788 HydrophobicContact CG-CG2 3.77Å; V786-V788 HydrophobicContact CG1-CG2 4.5Å; V788-N790 PolarHBondContact O-ND2 3.2Å; V788-Q806 HydrophobicContact CG1-CG 3.65Å |
| 789 | H | 98 | Very high | 84.2 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 145.8 | 179.6 | -72.4 | -109.7 | 0 | 0 | 0 | 112.4 | S737 E787 F807 Y812 A813 | S737-H789 CarbonylContact O-C 3.48Å; S737-H789 WeakPolarHBondContact O-CA 3.33Å; E787-H789 IonicContact OE1-CE1 2.78Å; E787-H789 IonicContact OE1-NE2 3.18Å; E787-H789 IonicContact OE2-NE2 2.69Å; H789-F807 HydrophobicContact CB-CB 4.5Å; H789-F807 HydrophobicContact CB-CD2 4.16Å; H789-F807 WeakPolarHBondContact O-CD2 3.44Å; H789-F807 PolarHBondContact O-N 3.21Å; H789-Y812 AromaticContact CE1-CD1 3.65Å; H789-Y812 AromaticContact NE2-CD1 3.14Å; H789-Y812 WeakPolarHBondContact NE2-CD1 3.3Å; H789-Y812 AromaticContact NE2-CE1 3.46Å; H789-Y812 WeakPolarHBondContact NE2-CE1 3.25Å; H789-Y812 AromaticContact NE2-CG 3.49Å; H789-A813 HydrophobicContact CB-CB 4.04Å; H789-A813 PolarHBondContact ND1-N 2.8Å |
| 790 | N | 98.4 | Very high | 86.7 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.011 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 152.6 | -178 | -50.6 | -86.6 | 0 | 0 | 0 | 111.8 | L736 S737 R739 V788 L792 H805 Q806 | L736-N790 VanDerWaalsContact CA-O 3.31Å; L736-N790 WeakPolarHBondContact CA-O 3.36Å; S737-N790 PolarHBondContact N-O 2.95Å; S737-N790 PolarHBondContact O-N 3.26Å; R739-N790 VanDerWaalsContact NH1-CG 3.31Å; R739-N790 PolarHBondContact NH1-ND2 2.91Å; R739-N790 PolarHBondContact NH1-OD1 2.88Å; V788-N790 PolarHBondContact O-ND2 3.2Å; N790-L792 HydrophobicContact CB-CD2 4.27Å; N790-H805 CarbonylContact C-O 3.52Å; N790-H805 WeakPolarHBondContact CA-O 3.03Å; N790-Q806 WeakPolarHBondContact OD1-CA 3.18Å |
| 791 | L | 98.6 | Very high | 89 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 116.8 | 160.5 | 168.4 | 66.1 | 0 | 0 | 0 | 108.6 | L736 I793 A804 H805 F807 L816 V831 F851 L858 | L736-L791 HydrophobicContact CD2-CB 4.03Å; L736-L791 HydrophobicContact CD2-CD1 3.98Å; L791-I793 HydrophobicContact CD1-CD1 4.45Å; L791-I793 HydrophobicContact CD2-CD1 4.46Å; L791-I793 HydrophobicContact CG-CD1 4.31Å; L791-A804 WeakPolarHBondContact O-CA 3.04Å; L791-H805 HydrophobicContact CB-CB 4.3Å; L791-H805 PolarHBondContact N-O 3.46Å; L791-H805 PolarHBondContact O-N 3.28Å; L791-F807 HydrophobicContact CB-CE2 4.03Å; L791-F807 HydrophobicContact CB-CZ 4.23Å; L791-L816 HydrophobicContact CD1-CD1 4.14Å; L791-L816 HydrophobicContact CD1-CD2 4.43Å; L791-V831 HydrophobicContact CD2-CG2 4Å; L791-F851 HydrophobicContact CD2-CD2 3.71Å; L791-F851 HydrophobicContact CD2-CE2 3.96Å; L791-F851 HydrophobicContact CD2-CG 4.22Å; L791-L858 HydrophobicContact CD2-CD2 4.05Å |
| 792 | L | 98.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 137.5 | 174.1 | -50.4 | -178.3 | 0 | 0 | 0 | 110.2 | G734 V735 A756 N790 I794 V801 H803 A804 | G734-L792 CarbonylContact C-O 3.49Å; G734-L792 WeakPolarHBondContact CA-O 3.23Å; V735-L792 HydrophobicContact CB-CB 4.28Å; V735-L792 PolarHBondContact N-O 2.86Å; V735-L792 PolarHBondContact O-N 2.81Å; A756-L792 HydrophobicContact CB-CD1 3.91Å; N790-L792 HydrophobicContact CB-CD2 4.27Å; L792-I794 HydrophobicContact CB-CD1 4.22Å; L792-I794 HydrophobicContact CB-CG1 4.12Å; L792-I794 HydrophobicContact CD1-CD1 4.33Å; L792-V801 HydrophobicContact CB-CG1 4.3Å; L792-V801 HydrophobicContact CD2-CG1 4.13Å; L792-H803 CarbonylContact C-O 3.56Å; L792-H803 WeakPolarHBondContact CA-O 3.32Å; L792-A804 HydrophobicContact CD2-CB 3.74Å |
| 793 | I | 98.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 118.3 | 166.7 | -52.6 | -58.7 | 0 | 0 | 0 | 107.5 | C732 F733 L791 L802 H803 F829 Y853 L858 | C732-I793 HydrophobicContact CB-CG2 3.86Å; F733-I793 WeakPolarHBondContact O-CA 3.32Å; L791-I793 HydrophobicContact CD1-CD1 4.45Å; L791-I793 HydrophobicContact CD2-CD1 4.46Å; L791-I793 HydrophobicContact CG-CD1 4.31Å; I793-L802 WeakPolarHBondContact O-CB 3.28Å; I793-L802 PolarHBondContact O-N 2.99Å; I793-H803 HydrophobicContact CB-CB 4.08Å; I793-H803 HydrophobicContact CG1-CB 4.09Å; I793-H803 PolarHBondContact N-O 3.44Å; I793-H803 PolarHBondContact O-N 3.3Å; I793-F829 HydrophobicContact CD1-CD2 3.92Å; I793-F829 HydrophobicContact CD1-CE2 3.8Å; I793-F829 HydrophobicContact CD1-CG 4.5Å; I793-F829 HydrophobicContact CD1-CZ 4.28Å; I793-Y853 HydrophobicContact CG1-CD2 4.28Å; I793-Y853 HydrophobicContact CG2-CD1 3.89Å; I793-Y853 HydrophobicContact CG2-CD2 4.16Å; I793-Y853 HydrophobicContact CG2-CE1 3.77Å; I793-Y853 HydrophobicContact CG2-CE2 4.07Å; I793-Y853 HydrophobicContact CG2-CG 4.07Å; I793-L858 HydrophobicContact CD1-CD1 4.04Å; I793-L858 HydrophobicContact CG1-CD1 4.11Å |
| 794 | I | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132.4 | -171.2 | -61 | 176 | 0 | 0 | 0 | 109.4 | L387 L717 C732 F733 V735 L792 F799 E800 V801 | L387-I794 HydrophobicContact CD1-CD1 3.79Å; L717-I794 HydrophobicContact CD2-CD1 4.31Å; C732-I794 CarbonylContact C-O 3.55Å; C732-I794 WeakPolarHBondContact CA-O 3.35Å; C732-I794 WeakPolarHBondContact CB-O 3.31Å; F733-I794 HydrophobicContact CB-CB 4.33Å; F733-I794 PolarHBondContact N-O 2.86Å; F733-I794 PolarHBondContact O-N 3.46Å; V735-I794 HydrophobicContact CB-CD1 4.23Å; V735-I794 HydrophobicContact CG2-CD1 3.88Å; L792-I794 HydrophobicContact CB-CD1 4.22Å; L792-I794 HydrophobicContact CB-CG1 4.12Å; L792-I794 HydrophobicContact CD1-CD1 4.33Å; I794-F799 HydrophobicContact CG2-CB 4.2Å; I794-F799 HydrophobicContact CG2-CD1 4.22Å; I794-E800 WeakPolarHBondContact CA-O 3.43Å; I794-V801 HydrophobicContact CG1-CG2 4.35Å |
| 795 | D | 96.1 | Very high | 95.2 | Very high | 34 Ų | 34 | 30 Ų | 30 | 18% | 0.182 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 138.3 | 176.8 | 178.5 | -102.5 | 0 | 0 | 0 | 111.6 | H797 T798 F799 E800 L802 | D795-H797 VanDerWaalsContact C-N 3.33Å; D795-H797 PolarHBondContact O-N 2.56Å; D795-H797 PolarHBondContact OD1-N 3.4Å; D795-T798 WeakPolarHBondContact CB-OG1 3.2Å; D795-T798 PolarHBondContact OD1-N 3.23Å; D795-T798 PolarHBondContact OD1-OG1 3.1Å; D795-F799 WeakPolarHBondContact O-CA 3.41Å; D795-F799 PolarHBondContact O-N 2.93Å; D795-E800 PolarHBondContact N-O 2.78Å; D795-L802 HydrophobicContact CB-CD1 4.06Å; D795-L802 HydrophobicContact CB-CD2 4.15Å; D795-L802 HydrophobicContact CB-CG 4.14Å |
| 796 | Q | 92.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -21.5 | -174.6 | 72.1 | 176.9 | 30.4 | 0 | 0 | 115.2 | L367 Y726 Q731 F733 F799 | L367-Q796 HydrophobicContact CD2-CB 3.94Å; L367-Q796 HydrophobicContact CD2-CG 4.39Å; Y726-Q796 HydrophobicContact CE2-CB 4.42Å; Y726-Q796 PolarHBondContact OH-OE1 2.89Å; Q731-Q796 VanDerWaalsContact CA-OE1 3.23Å; Q731-Q796 HydrophobicContact CB-CG 4.12Å; Q731-Q796 VanDerWaalsContact CD-OE1 3.29Å; Q731-Q796 WeakPolarHBondContact O-CB 3.3Å; Q731-Q796 WeakPolarHBondContact O-CG 3.21Å; Q731-Q796 PolarHBondContact O-N 3.37Å; Q731-Q796 VanDerWaalsContact OE1-CD 3.31Å; F733-Q796 HydrophobicContact CD2-CB 4.39Å; F733-Q796 HydrophobicContact CE2-CB 3.93Å; Q796-F799 WeakPolarHBondContact O-CE2 3.42Å |
| 797 | H | 87.6 | Confident | 96.2 | Very high | 121 Ų | 121 | 26.7 Ų | 26.7 | 56% | 0.56 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -50.5 | -172.8 | -66.4 | -58.2 | 0 | 0 | 0 | 111.1 | D795 | D795-H797 VanDerWaalsContact C-N 3.33Å; D795-H797 PolarHBondContact O-N 2.56Å; D795-H797 PolarHBondContact OD1-N 3.4Å |
| 798 | T | 90.5 | Very high | 96.2 | Very high | 72 Ų | 72 | 26.1 Ų | 26.1 | 44% | 0.442 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -26.3 | -178.3 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | D795 E800 | D795-T798 WeakPolarHBondContact CB-OG1 3.2Å; D795-T798 PolarHBondContact OD1-N 3.23Å; D795-T798 PolarHBondContact OD1-OG1 3.1Å; T798-E800 PolarHBondContact O-N 2.87Å; T798-E800 PolarHBondContact OG1-N 3.22Å |
| 799 | F | 93.3 | Very high | 95.8 | Very high | 13 Ų | 13 | 30.5 Ų | 30.5 | 6% | 0.057 | 15% | 0.152 | C | C | . | . | trans | 60.5 | 20.9 | -168.3 | -65 | -93.5 | 0 | 0 | 0 | 114 | I389 V715 F733 I794 D795 Q796 | I389-F799 HydrophobicContact CD1-CD1 4.31Å; I389-F799 HydrophobicContact CD1-CE1 3.96Å; I389-F799 HydrophobicContact CD1-CE2 4.29Å; I389-F799 HydrophobicContact CD1-CZ 3.96Å; I389-F799 HydrophobicContact CG1-CE1 3.76Å; I389-F799 HydrophobicContact CG1-CE2 4.06Å; I389-F799 HydrophobicContact CG1-CZ 3.47Å; I389-F799 VanDerWaalsContact CG1-CZ 3.47Å; V715-F799 HydrophobicContact CB-CB 4.44Å; V715-F799 HydrophobicContact CG1-CB 3.9Å; V715-F799 HydrophobicContact CG2-CB 3.74Å; V715-F799 HydrophobicContact CG2-CD1 4.17Å; V715-F799 HydrophobicContact CG2-CD2 4.33Å; V715-F799 HydrophobicContact CG2-CG 3.83Å; F733-F799 HydrophobicContact CD2-CE1 4.18Å; F733-F799 AromaticContact CE2-CE1 3.71Å; F733-F799 HydrophobicContact CE2-CE1 3.71Å; F733-F799 HydrophobicContact CE2-CZ 4.1Å; F733-F799 HydrophobicContact CZ-CE1 4.43Å; I794-F799 HydrophobicContact CG2-CB 4.2Å; I794-F799 HydrophobicContact CG2-CD1 4.22Å; D795-F799 WeakPolarHBondContact O-CA 3.41Å; D795-F799 PolarHBondContact O-N 2.93Å; Q796-F799 WeakPolarHBondContact O-CE2 3.42Å | ||
| 800 | E | 96.2 | Very high | 95.5 | Very high | 111 Ų | 111 | 32 Ų | 32 | 52% | 0.519 | 16% | 0.161 | S | C | . | . | trans | -70.1 | 144.2 | 170.6 | -71.7 | -174.7 | 168.1 | 0 | 0 | 111.5 | I794 D795 T798 L802 | I794-E800 WeakPolarHBondContact CA-O 3.43Å; D795-E800 PolarHBondContact N-O 2.78Å; T798-E800 PolarHBondContact O-N 2.87Å; T798-E800 PolarHBondContact OG1-N 3.22Å; E800-L802 PolarHBondContact O-N 2.93Å | ||
| 801 | V | 97.7 | Very high | 95.4 | Very high | 21 Ų | 21 | 32 Ų | 32 | 13% | 0.127 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 98.1 | 178.1 | -170.9 | 0 | 0 | 0 | 0 | 109.3 | A756 A760 L761 L792 I794 | A756-V801 HydrophobicContact CB-CG2 3.91Å; A760-V801 WeakPolarHBondContact CA-O 3.42Å; A760-V801 HydrophobicContact CB-CB 4.22Å; A760-V801 HydrophobicContact CB-CG1 3.58Å; L761-V801 PolarHBondContact N-O 2.95Å; L792-V801 HydrophobicContact CB-CG1 4.3Å; L792-V801 HydrophobicContact CD2-CG1 4.13Å; I794-V801 HydrophobicContact CG1-CG2 4.35Å |
| 802 | L | 97.7 | Very high | 95.3 | Very high | 33 Ų | 33 | 34.9 Ų | 34.9 | 17% | 0.173 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | -38.7 | -177.6 | -55.7 | -178.2 | 0 | 0 | 0 | 112.4 | L761 S762 I793 D795 E800 Y853 | L761-L802 HydrophobicContact CD1-CD2 4Å; S762-L802 PolarHBondContact N-O 3.24Å; S762-L802 PolarHBondContact OG-O 2.99Å; I793-L802 WeakPolarHBondContact O-CB 3.28Å; I793-L802 PolarHBondContact O-N 2.99Å; D795-L802 HydrophobicContact CB-CD1 4.06Å; D795-L802 HydrophobicContact CB-CD2 4.15Å; D795-L802 HydrophobicContact CB-CG 4.14Å; E800-L802 PolarHBondContact O-N 2.93Å; L802-Y853 HydrophobicContact CD1-CE1 4.38Å; L802-Y853 WeakPolarHBondContact CD1-OH 3.32Å |
| 803 | H | 98.3 | Very high | 95.3 | Very high | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.046 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 142.6 | -179.4 | -166.9 | 79.3 | 0 | 0 | 0 | 112.1 | S762 S764 L792 I793 | S762-H803 CarbonylContact O-C 3.53Å; S762-H803 VanDerWaalsContact O-CA 3.25Å; S762-H803 WeakPolarHBondContact O-CA 3.4Å; S762-H803 PolarHBondContact O-ND1 2.82Å; S762-H803 PolarHBondContact OG-ND1 3.28Å; S764-H803 PolarHBondContact OG-NE2 2.85Å; L792-H803 CarbonylContact C-O 3.56Å; L792-H803 WeakPolarHBondContact CA-O 3.32Å; I793-H803 HydrophobicContact CB-CB 4.08Å; I793-H803 HydrophobicContact CG1-CB 4.09Å; I793-H803 PolarHBondContact N-O 3.44Å; I793-H803 PolarHBondContact O-N 3.3Å |
| 804 | A | 98.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.033 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 118.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S757 A760 S762 S763 S764 L791 L792 | S757-A804 WeakPolarHBondContact O-CB 3.47Å; A760-A804 HydrophobicContact CB-CB 3.54Å; S762-A804 PolarHBondContact O-N 3.04Å; S763-A804 CarbonylContact C-O 3.58Å; S763-A804 WeakPolarHBondContact CA-O 3.4Å; S764-A804 PolarHBondContact N-O 2.73Å; L791-A804 WeakPolarHBondContact O-CA 3.04Å; L792-A804 HydrophobicContact CD2-CB 3.74Å |
| 805 | H | 98.2 | Very high | 95.3 | Very high | 6 Ų | 6 | 37.1 Ų | 37.1 | 3% | 0.028 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 114.3 | 173.1 | -176.6 | 81.9 | 0 | 0 | 0 | 110.4 | S764 S766 N790 L791 F851 L858 | S764-H805 CarbonylContact O-C 3.57Å; S764-H805 WeakPolarHBondContact O-CA 3.34Å; S764-H805 PolarHBondContact OG-ND1 3.39Å; S766-H805 PolarHBondContact N-CE1 3.33Å; S766-H805 PolarHBondContact OG-NE2 2.83Å; N790-H805 CarbonylContact C-O 3.52Å; N790-H805 WeakPolarHBondContact CA-O 3.03Å; L791-H805 HydrophobicContact CB-CB 4.3Å; L791-H805 PolarHBondContact N-O 3.46Å; L791-H805 PolarHBondContact O-N 3.28Å; H805-F851 AromaticContact CD2-CE1 3.96Å; H805-F851 AromaticContact CD2-CZ 3.54Å; H805-F851 AromaticContact CE1-CE1 3.91Å; H805-F851 AromaticContact NE2-CE1 3.86Å; H805-F851 AromaticContact NE2-CZ 3.6Å; H805-L858 HydrophobicContact CB-CD2 3.8Å |
| 806 | Q | 97.5 | Very high | 95.4 | Very high | 59 Ų | 59 | 36.5 Ų | 36.5 | 28% | 0.276 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 129.8 | 178.2 | -179.5 | 175.5 | -43.7 | 0 | 0 | 111 | S764 V765 S766 V788 N790 | S764-Q806 PolarHBondContact O-N 3.24Å; V765-Q806 CarbonylContact C-O 3.57Å; V765-Q806 WeakPolarHBondContact CA-O 3.2Å; V765-Q806 HydrophobicContact CG2-CB 4.28Å; S766-Q806 PolarHBondContact N-O 3.3Å; V788-Q806 HydrophobicContact CG1-CG 3.65Å; N790-Q806 WeakPolarHBondContact OD1-CA 3.18Å |
| 807 | F | 96.5 | Very high | 95.7 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -79.3 | 171.1 | 174.9 | -69.2 | -76.9 | 0 | 0 | 0 | 112.1 | L736 H789 L791 E811 A813 V831 T833 F851 | L736-F807 HydrophobicContact CD2-CE2 4.4Å; H789-F807 HydrophobicContact CB-CB 4.5Å; H789-F807 HydrophobicContact CB-CD2 4.16Å; H789-F807 WeakPolarHBondContact O-CD2 3.44Å; H789-F807 PolarHBondContact O-N 3.21Å; L791-F807 HydrophobicContact CB-CE2 4.03Å; L791-F807 HydrophobicContact CB-CZ 4.23Å; F807-E811 HydrophobicContact CB-CB 4.11Å; F807-E811 HydrophobicContact CB-CG 4.06Å; F807-E811 HydrophobicContact CD1-CG 4.46Å; F807-A813 HydrophobicContact CD2-CB 3.92Å; F807-A813 HydrophobicContact CE2-CB 3.76Å; F807-A813 HydrophobicContact CZ-CB 4.41Å; F807-V831 HydrophobicContact CE1-CG1 4.24Å; F807-V831 HydrophobicContact CE2-CG1 4.28Å; F807-V831 HydrophobicContact CZ-CB 4.09Å; F807-V831 HydrophobicContact CZ-CG1 3.64Å; F807-V831 HydrophobicContact CZ-CG2 4.19Å; F807-T833 HydrophobicContact CD1-CG2 4.11Å; F807-T833 HydrophobicContact CE1-CG2 3.99Å; F807-F851 HydrophobicContact CE1-CE2 4.37Å; F807-F851 HydrophobicContact CE1-CZ 4.31Å; F807-F851 HydrophobicContact CZ-CE2 4.26Å; F807-F851 HydrophobicContact CZ-CZ 4.46Å |
| 808 | L | 93.3 | Very high | 96.2 | Very high | 43 Ų | 43 | 33 Ų | 33 | 23% | 0.225 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 162.6 | 179.5 | -61.6 | 172.2 | 0 | 0 | 0 | 111.6 | S766 F771 N810 E811 | S766-L808 VanDerWaalsContact O-CD2 3.24Å; S766-L808 WeakPolarHBondContact O-CD2 3.33Å; F771-L808 HydrophobicContact CB-CD1 4.11Å; F771-L808 HydrophobicContact CD2-CD1 3.82Å; F771-L808 HydrophobicContact CG-CD1 4.38Å; L808-N810 PolarHBondContact O-N 2.75Å; L808-E811 HydrophobicContact CB-CB 3.91Å; L808-E811 WeakPolarHBondContact CB-OE2 3.5Å; L808-E811 WeakPolarHBondContact CG-OE2 3.17Å; L808-E811 PolarHBondContact N-OE2 2.81Å; L808-E811 VanDerWaalsContact O-CB 3.24Å; L808-E811 WeakPolarHBondContact O-CB 3.28Å; L808-E811 PolarHBondContact O-N 2.81Å |
| 809 | Q | 88.3 | Confident | 96.5 | Very high | 105 Ų | 105 | 30.1 Ų | 30.1 | 49% | 0.491 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 137.6 | 169.4 | -171.7 | 175.9 | 14.3 | 0 | 0 | 109.8 | E811 M835 | Q809-E811 PolarHBondContact O-N 2.78Å; Q809-E811 VanDerWaalsContact O-N 3.17Å; Q809-M835 WeakPolarHBondContact O-CE 3.26Å |
| 810 | N | 91.6 | Very high | 96.6 | Very high | 36 Ų | 36 | 34.4 Ų | 34.4 | 19% | 0.193 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 7.6 | -174.1 | -56.8 | -11.3 | 0 | 0 | 0 | 114.8 | L808 M835 V836 Y837 | L808-N810 PolarHBondContact O-N 2.75Å; N810-M835 HydrophobicContact CB-CE 4.33Å; N810-M835 WeakPolarHBondContact O-CA 3.18Å; N810-V836 WeakPolarHBondContact CB-O 3.47Å; N810-V836 PolarHBondContact O-N 2.74Å; N810-Y837 HydrophobicContact CB-CE1 4.26Å |
| 811 | E | 95.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.009 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 107.3 | 175.6 | -173.9 | 175 | -158.6 | 0 | 0 | 110.9 | F807 L808 Q809 T833 A834 M835 R847 | F807-E811 HydrophobicContact CB-CB 4.11Å; F807-E811 HydrophobicContact CB-CG 4.06Å; F807-E811 HydrophobicContact CD1-CG 4.46Å; L808-E811 HydrophobicContact CB-CB 3.91Å; L808-E811 WeakPolarHBondContact CB-OE2 3.5Å; L808-E811 WeakPolarHBondContact CG-OE2 3.17Å; L808-E811 PolarHBondContact N-OE2 2.81Å; L808-E811 VanDerWaalsContact O-CB 3.24Å; L808-E811 WeakPolarHBondContact O-CB 3.28Å; L808-E811 PolarHBondContact O-N 2.81Å; Q809-E811 PolarHBondContact O-N 2.78Å; Q809-E811 VanDerWaalsContact O-N 3.17Å; E811-T833 HydrophobicContact CG-CG2 4.14Å; E811-T833 WeakPolarHBondContact OE1-CB 3.5Å; E811-T833 WeakPolarHBondContact OE1-CG2 3.48Å; E811-T833 PolarHBondContact OE1-OG1 3.23Å; E811-A834 CarbonylContact C-O 3.5Å; E811-A834 WeakPolarHBondContact CA-O 3.3Å; E811-M835 HydrophobicContact CB-CE 4.41Å; E811-M835 HydrophobicContact CB-SD 3.7Å; E811-M835 HydrophobicContact CG-SD 3.98Å; E811-R847 VanDerWaalsContact CD-NH2 3.34Å; E811-R847 WeakPolarHBondContact OE1-CG 3.38Å; E811-R847 IonicContact OE1-CZ 2.65Å; E811-R847 IonicContact OE1-NE 3.81Å; E811-R847 PolarHBondContact OE1-NE 2.78Å; E811-R847 IonicContact OE1-NH2 3.08Å; E811-R847 PolarHBondContact OE1-NH2 3.36Å; E811-R847 VanDerWaalsContact OE1-NH2 3.1Å; E811-R847 IonicContact OE2-CZ 3.47Å; E811-R847 IonicContact OE2-NE 3.91Å; E811-R847 IonicContact OE2-NH2 2.89Å; E811-R847 PolarHBondContact OE2-NH2 3.27Å |
| 812 | Y | 97.3 | Very high | 96.4 | Very high | 60 Ų | 60 | 30.4 Ų | 30.4 | 24% | 0.235 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 121.9 | -179.5 | -78.1 | -119.6 | 0 | 0 | 0 | 109.6 | E787 H789 T833 A834 V836 | E787-Y812 WeakPolarHBondContact OE2-CE1 3.28Å; E787-Y812 PolarHBondContact OE2-OH 3.23Å; H789-Y812 AromaticContact CE1-CD1 3.65Å; H789-Y812 AromaticContact NE2-CD1 3.14Å; H789-Y812 WeakPolarHBondContact NE2-CD1 3.3Å; H789-Y812 AromaticContact NE2-CE1 3.46Å; H789-Y812 WeakPolarHBondContact NE2-CE1 3.25Å; H789-Y812 AromaticContact NE2-CG 3.49Å; Y812-T833 CarbonylContact O-C 3.57Å; Y812-T833 WeakPolarHBondContact O-CA 3.1Å; Y812-T833 WeakPolarHBondContact O-CB 3.3Å; Y812-A834 PolarHBondContact N-O 2.98Å; Y812-A834 PolarHBondContact O-N 2.86Å; Y812-V836 HydrophobicContact CD1-CG2 4.21Å; Y812-V836 HydrophobicContact CD2-CB 3.64Å; Y812-V836 HydrophobicContact CD2-CG2 3.46Å; Y812-V836 VanDerWaalsContact CD2-CG2 3.46Å; Y812-V836 HydrophobicContact CE2-CB 3.78Å; Y812-V836 HydrophobicContact CE2-CG1 4.41Å; Y812-V836 HydrophobicContact CE2-CG2 4.06Å; Y812-V836 HydrophobicContact CG-CB 4.25Å; Y812-V836 HydrophobicContact CG-CG2 3.57Å |
| 813 | A | 98.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 118.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | L736 H789 F807 V831 | L736-A813 HydrophobicContact CD1-CB 3.82Å; L736-A813 HydrophobicContact CD2-CB 3.99Å; L736-A813 HydrophobicContact CG-CB 4.36Å; H789-A813 HydrophobicContact CB-CB 4.04Å; H789-A813 PolarHBondContact ND1-N 2.8Å; F807-A813 HydrophobicContact CD2-CB 3.92Å; F807-A813 HydrophobicContact CE2-CB 3.76Å; F807-A813 HydrophobicContact CZ-CB 4.41Å; A813-V831 HydrophobicContact CB-CG1 4.01Å |
| 814 | L | 98.1 | Very high | 95.9 | Very high | 41 Ų | 41 | 39.9 Ų | 39.9 | 22% | 0.215 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | -35.5 | -166.3 | -62.3 | -179.3 | 0 | 0 | 0 | 113.9 | G832 A834 A869 V870 Y871 | L814-G832 PolarHBondContact N-O 3.09Å; L814-A834 HydrophobicContact CD1-CB 3.62Å; L814-A834 HydrophobicContact CG-CB 4.44Å; L814-A869 HydrophobicContact CD1-CB 3.65Å; L814-V870 WeakPolarHBondContact CB-O 3.02Å; L814-Y871 HydrophobicContact CD1-CD1 4.32Å; L814-Y871 HydrophobicContact CD1-CE1 4.34Å |
| 815 | S | 98.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 3% | 0.028 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 147.4 | -177.8 | 52 | 0 | 0 | 0 | 0 | 111.8 | V831 G832 V870 | S815-V831 WeakPolarHBondContact O-CA 3.47Å; S815-G832 PolarHBondContact N-O 3.27Å; S815-G832 PolarHBondContact O-N 3.45Å; S815-V870 PolarHBondContact OG-O 2.67Å |
| 816 | L | 98.6 | Very high | 95.6 | Very high | 20 Ų | 20 | 46.6 Ų | 46.6 | 11% | 0.105 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 135.2 | -177.7 | 175 | 66.5 | 0 | 0 | 0 | 109.6 | K723 C725 G734 L736 L791 F829 I830 V831 | K723-L816 HydrophobicContact CB-CB 3.95Å; C725-L816 HydrophobicContact CB-CD2 4.43Å; C725-L816 HydrophobicContact CB-CG 4.4Å; C725-L816 VanDerWaalsContact SG-CG 3.56Å; G734-L816 WeakPolarHBondContact O-CD2 3.19Å; L736-L816 HydrophobicContact CD1-CB 3.85Å; L736-L816 HydrophobicContact CG-CB 3.93Å; L736-L816 HydrophobicContact CG-CD2 4.14Å; L736-L816 HydrophobicContact CG-CG 4.49Å; L791-L816 HydrophobicContact CD1-CD1 4.14Å; L791-L816 HydrophobicContact CD1-CD2 4.43Å; L816-F829 HydrophobicContact CD1-CD1 4.45Å; L816-I830 WeakPolarHBondContact CA-O 3.48Å; L816-V831 HydrophobicContact CD1-CG2 3.86Å |
| 817 | V | 98.2 | Very high | 95.6 | Very high | 21 Ų | 21 | 44.8 Ų | 44.8 | 13% | 0.127 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 147.2 | 170.8 | 65.6 | 0 | 0 | 0 | 0 | 110.3 | C819 I830 M873 L880 | V817-C819 HydrophobicContact CG2-CB 4.35Å; V817-I830 HydrophobicContact CG1-CB 3.89Å; V817-I830 HydrophobicContact CG1-CD1 4.4Å; V817-I830 HydrophobicContact CG1-CG1 4.48Å; V817-I830 PolarHBondContact N-O 2.78Å; V817-I830 PolarHBondContact O-N 2.97Å; V817-M873 HydrophobicContact CG1-CB 4.13Å; V817-M873 HydrophobicContact CG1-CE 4.37Å; V817-L880 HydrophobicContact CG1-CD1 4.06Å |
| 818 | S | 97.9 | Very high | 95.6 | Very high | 28 Ų | 28 | 44.7 Ų | 44.7 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 115.8 | 169.2 | 171.9 | 0 | 0 | 0 | 0 | 108.7 | C725 Q727 Y828 | C725-S818 VanDerWaalsContact SG-CB 3.59Å; Q727-S818 VanDerWaalsContact CB-OG 3.31Å; Q727-S818 WeakPolarHBondContact CB-OG 3.43Å; Q727-S818 WeakPolarHBondContact CG-OG 3.5Å; Q727-S818 PolarHBondContact NE2-OG 3.43Å; S818-Y828 VanDerWaalsContact CA-O 3.31Å; S818-Y828 WeakPolarHBondContact CA-O 3.47Å |
| 819 | C | 97.2 | Very high | 95.9 | Very high | 11 Ų | 11 | 42.6 Ų | 42.6 | 7% | 0.074 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 166.9 | -177.3 | 65.4 | 0 | 0 | 0 | 0 | 113.8 | V817 Y828 E875 | V817-C819 HydrophobicContact CG2-CB 4.35Å; C819-Y828 PolarHBondContact N-O 2.9Å; C819-Y828 VanDerWaalsContact N-O 3.1Å; C819-Y828 PolarHBondContact O-N 2.87Å; C819-E875 HydrophobicContact CB-CB 3.58Å; C819-E875 HydrophobicContact CB-CG 3.8Å |
| 820 | K | 96.6 | Very high | 96.4 | Very high | 103 Ų | 103 | 37.6 Ų | 37.6 | 45% | 0.448 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 145.3 | 168.4 | -62.5 | -169.8 | 179 | -171.2 | 0 | 109.3 | P825 T827 | K820-P825 WeakPolarHBondContact CE-O 3.08Å; K820-P825 PolarHBondContact NZ-O 3.38Å; K820-T827 WeakPolarHBondContact CE-OG1 3.1Å; K820-T827 HydrophobicContact CG-CG2 4.36Å |
| 821 | L | 96.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -119.4 | 128 | -178.8 | -62.1 | 177.1 | 0 | 0 | 0 | 111.2 | K823 D824 I830 L880 W893 L899 | L821-K823 PolarHBondContact O-N 2.89Å; L821-D824 WeakPolarHBondContact O-CB 3.45Å; L821-D824 PolarHBondContact O-N 2.91Å; L821-D824 VanDerWaalsContact O-N 3.07Å; L821-I830 HydrophobicContact CD1-CD1 3.77Å; L821-I830 HydrophobicContact CD2-CD1 4.32Å; L821-I830 HydrophobicContact CG-CD1 4.24Å; L821-L880 HydrophobicContact CD2-CB 4.17Å; L821-W893 HydrophobicContact CB-CB 3.54Å; L821-W893 HydrophobicContact CB-CD2 4.09Å; L821-W893 HydrophobicContact CB-CG 3.47Å; L821-W893 VanDerWaalsContact CB-CG 3.47Å; L821-W893 HydrophobicContact CD1-CB 4.12Å; L821-W893 HydrophobicContact CD1-CD2 3.66Å; L821-W893 HydrophobicContact CD1-CE3 3.68Å; L821-W893 HydrophobicContact CD1-CG 3.89Å; L821-W893 HydrophobicContact CD1-CZ3 4.26Å; L821-W893 HydrophobicContact CG-CB 4.4Å; L821-W893 HydrophobicContact CG-CG 4.36Å; L821-L899 HydrophobicContact CD1-CD2 4.46Å | ||
| 822 | G | 92.2 | Very high | 96.8 | Very high | 49 Ų | 49 | 35.8 Ų | 35.8 | 51% | 0.505 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | -126.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G878 | G822-G878 WeakPolarHBondContact CA-O 3.19Å; G822-G878 PolarHBondContact N-O 3.45Å |
| 823 | K | 91.9 | Very high | 96.9 | Very high | 216 Ų | 216 | 33 Ų | 33 | 94% | 0.939 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 8.4 | 175.6 | -62.4 | -178.9 | -178.8 | 176.2 | 0 | 112.6 | L821 P825 | L821-K823 PolarHBondContact O-N 2.89Å; K823-P825 WeakPolarHBondContact O-CD 2.9Å |
| 824 | D | 94.4 | Very high | 96.9 | Very high | 26 Ų | 26 | 32.9 Ų | 32.9 | 14% | 0.139 | 18% | 0.182 | C | C | . | . | trans | -70.4 | 123.4 | 179.2 | -164.2 | -27.1 | 0 | 0 | 0 | 109.2 | L821 N826 Y828 W893 K897 | L821-D824 WeakPolarHBondContact O-CB 3.45Å; L821-D824 PolarHBondContact O-N 2.91Å; L821-D824 VanDerWaalsContact O-N 3.07Å; D824-N826 PolarHBondContact O-N 2.76Å; D824-N826 WeakPolarHBondContact OD1-CB 3.45Å; D824-N826 PolarHBondContact OD1-N 2.76Å; D824-N826 PolarHBondContact OD1-ND2 3.48Å; D824-Y828 HydrophobicContact CB-CE2 4.48Å; D824-Y828 VanDerWaalsContact CG-OH 3.31Å; D824-Y828 PolarHBondContact OD2-OH 2.99Å; D824-W893 PolarHBondContact OD2-NE1 2.83Å; D824-K897 IonicContact OD2-NZ 3.92Å | ||
| 825 | P | 93.4 | Very high | 96.7 | Very high | 99 Ų | 99 | 31.1 Ų | 31.1 | 64% | 0.643 | 17% | 0.173 | S | C | * | . | trans | -69 | -19.4 | 179.5 | 28.2 | -36.2 | 0 | 0 | 0 | 113.1 | K820 K823 | K820-P825 WeakPolarHBondContact CE-O 3.08Å; K820-P825 PolarHBondContact NZ-O 3.38Å; K823-P825 WeakPolarHBondContact O-CD 2.9Å | ||
| 826 | N | 95.9 | Very high | 96.5 | Very high | 52 Ų | 52 | 33.4 Ų | 33.4 | 28% | 0.278 | 19% | 0.186 | S | C | . | . | trans | -73.3 | 142.7 | -178.1 | -59.9 | -62.4 | 0 | 0 | 0 | 111.2 | D824 Y828 Q852 | D824-N826 PolarHBondContact O-N 2.76Å; D824-N826 WeakPolarHBondContact OD1-CB 3.45Å; D824-N826 PolarHBondContact OD1-N 2.76Å; D824-N826 PolarHBondContact OD1-ND2 3.48Å; N826-Y828 HydrophobicContact CB-CE1 4.01Å; N826-Y828 HydrophobicContact CB-CE2 4Å; N826-Q852 PolarHBondContact OD1-NE2 3.15Å | ||
| 827 | T | 96.9 | Very high | 96.2 | Very high | 20 Ų | 20 | 34.5 Ų | 34.5 | 12% | 0.123 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 137.8 | 169.7 | -47.4 | 0 | 0 | 0 | 0 | 108.5 | Q727 K820 | Q727-T827 HydrophobicContact CG-CG2 3.93Å; K820-T827 WeakPolarHBondContact CE-OG1 3.1Å; K820-T827 HydrophobicContact CG-CG2 4.36Å |
| 828 | Y | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 147.1 | -175.2 | -60 | -71.5 | 0 | 0 | 0 | 111 | S818 C819 D824 N826 V850 F851 Q852 V861 W893 K897 | S818-Y828 VanDerWaalsContact CA-O 3.31Å; S818-Y828 WeakPolarHBondContact CA-O 3.47Å; C819-Y828 PolarHBondContact N-O 2.9Å; C819-Y828 VanDerWaalsContact N-O 3.1Å; C819-Y828 PolarHBondContact O-N 2.87Å; D824-Y828 HydrophobicContact CB-CE2 4.48Å; D824-Y828 VanDerWaalsContact CG-OH 3.31Å; D824-Y828 PolarHBondContact OD2-OH 2.99Å; N826-Y828 HydrophobicContact CB-CE1 4.01Å; N826-Y828 HydrophobicContact CB-CE2 4Å; Y828-V850 HydrophobicContact CD1-CG1 3.86Å; Y828-V850 HydrophobicContact CD2-CG1 4.34Å; Y828-V850 HydrophobicContact CG-CG1 3.71Å; Y828-F851 CarbonylContact C-O 3.56Å; Y828-F851 VanDerWaalsContact CA-O 3.31Å; Y828-F851 WeakPolarHBondContact CA-O 3.34Å; Y828-F851 WeakPolarHBondContact CB-O 3.24Å; Y828-Q852 HydrophobicContact CD1-CB 3.88Å; Y828-Q852 HydrophobicContact CD1-CG 4.4Å; Y828-Q852 HydrophobicContact CE1-CB 3.94Å; Y828-Q852 HydrophobicContact CE1-CG 4.25Å; Y828-V861 HydrophobicContact CD1-CG2 4.26Å; Y828-V861 HydrophobicContact CE1-CB 4.45Å; Y828-V861 HydrophobicContact CE1-CG1 4.25Å; Y828-V861 HydrophobicContact CE1-CG2 3.93Å; Y828-W893 HydrophobicContact CE2-CZ2 4.12Å; Y828-K897 WeakPolarHBondContact OH-CE 3.47Å; Y828-K897 PolarHBondContact OH-NZ 3.46Å |
| 829 | F | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 123.6 | 160.1 | -69.4 | -72.9 | 0 | 0 | 0 | 108 | Q727 I793 L816 F851 | Q727-F829 HydrophobicContact CB-CE1 3.79Å; Q727-F829 HydrophobicContact CB-CE2 4.18Å; Q727-F829 HydrophobicContact CB-CZ 3.42Å; Q727-F829 VanDerWaalsContact CB-CZ 3.42Å; Q727-F829 HydrophobicContact CG-CZ 4.21Å; I793-F829 HydrophobicContact CD1-CD2 3.92Å; I793-F829 HydrophobicContact CD1-CE2 3.8Å; I793-F829 HydrophobicContact CD1-CG 4.5Å; I793-F829 HydrophobicContact CD1-CZ 4.28Å; L816-F829 HydrophobicContact CD1-CD1 4.45Å; F829-F851 HydrophobicContact CB-CB 4.31Å; F829-F851 PolarHBondContact N-O 3.32Å; F829-F851 PolarHBondContact O-N 3.34Å |
| 830 | I | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 124.8 | -177.4 | -51.5 | 175.5 | 0 | 0 | 0 | 108.2 | L816 V817 L821 I848 V849 V850 M873 L880 | L816-I830 WeakPolarHBondContact CA-O 3.48Å; V817-I830 HydrophobicContact CG1-CB 3.89Å; V817-I830 HydrophobicContact CG1-CD1 4.4Å; V817-I830 HydrophobicContact CG1-CG1 4.48Å; V817-I830 PolarHBondContact N-O 2.78Å; V817-I830 PolarHBondContact O-N 2.97Å; L821-I830 HydrophobicContact CD1-CD1 3.77Å; L821-I830 HydrophobicContact CD2-CD1 4.32Å; L821-I830 HydrophobicContact CG-CD1 4.24Å; I830-I848 HydrophobicContact CG2-CG2 3.46Å; I830-I848 VanDerWaalsContact CG2-CG2 3.46Å; I830-V849 WeakPolarHBondContact CA-O 3.4Å; I830-V850 HydrophobicContact CG1-CG1 4.26Å; I830-V850 HydrophobicContact CG1-CG2 4.29Å; I830-V850 HydrophobicContact CG2-CG2 4.19Å; I830-M873 HydrophobicContact CB-CE 4.39Å; I830-M873 HydrophobicContact CG2-CE 3.98Å; I830-M873 HydrophobicContact CG2-SD 4.04Å; I830-M873 WeakPolarHBondContact O-CE 3.04Å; I830-L880 HydrophobicContact CD1-CD1 4.01Å; I830-L880 HydrophobicContact CD1-CD2 4.36Å; I830-L880 HydrophobicContact CG2-CD1 4.47Å; I830-L880 HydrophobicContact CG2-CD2 3.91Å |
| 831 | V | 98.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130 | -177.8 | -175.4 | 0 | 0 | 0 | 0 | 110.4 | L736 L791 F807 A813 S815 L816 T833 I848 V849 F851 | L736-V831 HydrophobicContact CD1-CG1 4.22Å; L736-V831 HydrophobicContact CD2-CG1 3.97Å; L736-V831 HydrophobicContact CD2-CG2 4.06Å; L791-V831 HydrophobicContact CD2-CG2 4Å; F807-V831 HydrophobicContact CE1-CG1 4.24Å; F807-V831 HydrophobicContact CE2-CG1 4.28Å; F807-V831 HydrophobicContact CZ-CB 4.09Å; F807-V831 HydrophobicContact CZ-CG1 3.64Å; F807-V831 HydrophobicContact CZ-CG2 4.19Å; A813-V831 HydrophobicContact CB-CG1 4.01Å; S815-V831 WeakPolarHBondContact O-CA 3.47Å; L816-V831 HydrophobicContact CD1-CG2 3.86Å; V831-T833 HydrophobicContact CG1-CG2 3.92Å; V831-I848 CarbonylContact O-C 3.55Å; V831-I848 WeakPolarHBondContact O-CA 3.27Å; V831-V849 PolarHBondContact N-O 3.45Å; V831-V849 PolarHBondContact O-N 2.97Å; V831-F851 HydrophobicContact CB-CE2 4.35Å; V831-F851 HydrophobicContact CG2-CD2 4.14Å; V831-F851 HydrophobicContact CG2-CE2 3.98Å |
| 832 | G | 98.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 127.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110 | L814 S815 | L814-G832 PolarHBondContact N-O 3.09Å; S815-G832 PolarHBondContact N-O 3.27Å; S815-G832 PolarHBondContact O-N 3.45Å |
| 833 | T | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 167.6 | -174.9 | 74 | 0 | 0 | 0 | 0 | 112.7 | F807 E811 Y812 V831 G846 R847 | F807-T833 HydrophobicContact CD1-CG2 4.11Å; F807-T833 HydrophobicContact CE1-CG2 3.99Å; E811-T833 HydrophobicContact CG-CG2 4.14Å; E811-T833 WeakPolarHBondContact OE1-CB 3.5Å; E811-T833 WeakPolarHBondContact OE1-CG2 3.48Å; E811-T833 PolarHBondContact OE1-OG1 3.23Å; Y812-T833 CarbonylContact O-C 3.57Å; Y812-T833 WeakPolarHBondContact O-CA 3.1Å; Y812-T833 WeakPolarHBondContact O-CB 3.3Å; V831-T833 HydrophobicContact CG1-CG2 3.92Å; T833-G846 VanDerWaalsContact O-CA 3.29Å; T833-G846 WeakPolarHBondContact O-CA 3.47Å; T833-R847 PolarHBondContact N-O 2.84Å; T833-R847 PolarHBondContact O-N 3.06Å; T833-R847 WeakPolarHBondContact OG1-CG 3.43Å; T833-R847 PolarHBondContact OG1-N 3.27Å; T833-R847 PolarHBondContact OG1-O 3.37Å |
| 834 | A | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 142.1 | 171 | 0 | 0 | 0 | 0 | 0 | 110.2 | E811 Y812 L814 V836 P843 A869 | E811-A834 CarbonylContact C-O 3.5Å; E811-A834 WeakPolarHBondContact CA-O 3.3Å; Y812-A834 PolarHBondContact N-O 2.98Å; Y812-A834 PolarHBondContact O-N 2.86Å; L814-A834 HydrophobicContact CD1-CB 3.62Å; L814-A834 HydrophobicContact CG-CB 4.44Å; A834-V836 HydrophobicContact CB-CG2 4.28Å; A834-P843 HydrophobicContact CB-CB 3.96Å; A834-P843 HydrophobicContact CB-CG 4.21Å; A834-A869 HydrophobicContact CB-CB 3.55Å |
| 835 | M | 95.7 | Very high | 94.6 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 112.3 | 166.3 | -60.1 | -57.4 | -62.2 | 0 | 0 | 108.1 | F771 Q809 N810 E811 Y837 Q845 | F771-M835 HydrophobicContact CD1-CG 3.93Å; F771-M835 HydrophobicContact CD1-SD 4.36Å; F771-M835 HydrophobicContact CD2-SD 4.26Å; F771-M835 HydrophobicContact CE1-CG 3.62Å; F771-M835 HydrophobicContact CE1-SD 4.39Å; F771-M835 HydrophobicContact CE2-CG 4.36Å; F771-M835 HydrophobicContact CE2-SD 4.25Å; F771-M835 HydrophobicContact CG-CG 4.45Å; F771-M835 HydrophobicContact CG-SD 4.3Å; F771-M835 HydrophobicContact CZ-CG 3.85Å; F771-M835 HydrophobicContact CZ-SD 4.33Å; Q809-M835 WeakPolarHBondContact O-CE 3.26Å; N810-M835 HydrophobicContact CB-CE 4.33Å; N810-M835 WeakPolarHBondContact O-CA 3.18Å; E811-M835 HydrophobicContact CB-CE 4.41Å; E811-M835 HydrophobicContact CB-SD 3.7Å; E811-M835 HydrophobicContact CG-SD 3.98Å; M835-Y837 HydrophobicContact CB-CD2 4.4Å; M835-Y837 HydrophobicContact CB-CE2 3.63Å; M835-Y837 WeakPolarHBondContact CE-OH 3.17Å; M835-Q845 HydrophobicContact CB-CB 4.19Å; M835-Q845 HydrophobicContact CG-CB 4.19Å; M835-Q845 PolarHBondContact N-O 2.98Å |
| 836 | V | 93.7 | Very high | 94.7 | Very high | 51 Ų | 51 | 43 Ų | 43 | 31% | 0.309 | 24% | 0.237 | S | C | . | . | trans | -103.7 | 117.7 | -175.4 | -176.8 | 0 | 0 | 0 | 0 | 109 | N810 Y812 A834 P843 | N810-V836 WeakPolarHBondContact CB-O 3.47Å; N810-V836 PolarHBondContact O-N 2.74Å; Y812-V836 HydrophobicContact CD1-CG2 4.21Å; Y812-V836 HydrophobicContact CD2-CB 3.64Å; Y812-V836 HydrophobicContact CD2-CG2 3.46Å; Y812-V836 VanDerWaalsContact CD2-CG2 3.46Å; Y812-V836 HydrophobicContact CE2-CB 3.78Å; Y812-V836 HydrophobicContact CE2-CG1 4.41Å; Y812-V836 HydrophobicContact CE2-CG2 4.06Å; Y812-V836 HydrophobicContact CG-CB 4.25Å; Y812-V836 HydrophobicContact CG-CG2 3.57Å; A834-V836 HydrophobicContact CB-CG2 4.28Å; V836-P843 HydrophobicContact CG2-CG 4.14Å | ||
| 837 | Y | 92.2 | Very high | 94.7 | Very high | 44 Ų | 44 | 40.6 Ų | 40.6 | 17% | 0.173 | 22% | 0.224 | C | C | . | . | trans | -120.4 | 136.2 | 177.1 | -57.5 | -78.4 | 0 | 0 | 0 | 110.3 | T775 N810 M835 E839 E840 | T775-Y837 HydrophobicContact CG2-CE1 4.45Å; N810-Y837 HydrophobicContact CB-CE1 4.26Å; M835-Y837 HydrophobicContact CB-CD2 4.4Å; M835-Y837 HydrophobicContact CB-CE2 3.63Å; M835-Y837 WeakPolarHBondContact CE-OH 3.17Å; Y837-E839 VanDerWaalsContact CB-CD 3.48Å; Y837-E839 VanDerWaalsContact CB-OE1 3.29Å; Y837-E839 WeakPolarHBondContact CB-OE1 3.4Å; Y837-E839 WeakPolarHBondContact CB-OE2 3.31Å; Y837-E839 PolarHBondContact O-N 3.44Å; Y837-E839 VanDerWaalsContact O-N 3.12Å; Y837-E840 PolarHBondContact O-N 3.46Å | ||
| 838 | P | 85 | Confident | 94.8 | Very high | 128 Ų | 128 | 39.6 Ų | 39.6 | 83% | 0.831 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -27 | -175.3 | -26.6 | 34.9 | 0 | 0 | 0 | 115.2 | E840 | P838-E840 VanDerWaalsContact C-N 3.28Å; P838-E840 PolarHBondContact O-N 3.17Å |
| 839 | E | 88.7 | Confident | 94.8 | Very high | 126 Ų | 126 | 39.6 Ų | 39.6 | 59% | 0.589 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -10.8 | 177.6 | 71.5 | -81.1 | -172.1 | 0 | 0 | 114.1 | Y837 | Y837-E839 VanDerWaalsContact CB-CD 3.48Å; Y837-E839 VanDerWaalsContact CB-OE1 3.29Å; Y837-E839 WeakPolarHBondContact CB-OE1 3.4Å; Y837-E839 WeakPolarHBondContact CB-OE2 3.31Å; Y837-E839 PolarHBondContact O-N 3.44Å; Y837-E839 VanDerWaalsContact O-N 3.12Å |
| 840 | E | 91.2 | Very high | 94.8 | Very high | 40 Ų | 40 | 39.6 Ų | 39.6 | 19% | 0.187 | 22% | 0.218 | C | C | . | . | trans | -100 | 122.8 | -178.8 | -57.2 | -162.3 | 142 | 0 | 0 | 111.1 | Y837 P838 E842 K844 | Y837-E840 PolarHBondContact O-N 3.46Å; P838-E840 VanDerWaalsContact C-N 3.28Å; P838-E840 PolarHBondContact O-N 3.17Å; E840-E842 WeakPolarHBondContact CB-O 3.35Å; E840-E842 PolarHBondContact O-N 3.34Å; E840-K844 VanDerWaalsContact OE1-CD 3.26Å; E840-K844 WeakPolarHBondContact OE1-CD 3.45Å; E840-K844 WeakPolarHBondContact OE1-CE 3.33Å; E840-K844 WeakPolarHBondContact OE1-CG 3.48Å; E840-K844 IonicContact OE1-NZ 3.91Å; E840-K844 PolarHBondContact OE1-NZ 2.96Å; E840-K844 PolarHBondContact OE2-N 2.68Å; E840-K844 VanDerWaalsContact OE2-N 3.11Å | ||
| 841 | A | 89.5 | Confident | 94.7 | Very high | 117 Ų | 117 | 39.7 Ų | 39.7 | 97% | 0.967 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -67.7 | -25 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 842 | E | 91.2 | Very high | 94.7 | Very high | 99 Ų | 99 | 41.3 Ų | 41.3 | 46% | 0.463 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -141.7 | 142.5 | 172.1 | 62.4 | 176.9 | -173.4 | 0 | 0 | 109.1 | E840 K844 | E840-E842 WeakPolarHBondContact CB-O 3.35Å; E840-E842 PolarHBondContact O-N 3.34Å; E842-K844 PolarHBondContact O-N 3.09Å |
| 843 | P | 94.7 | Very high | 94.6 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 12% | 0.123 | 23% | 0.232 | C | C | . | . | trans | -59.8 | 126.3 | 177.1 | -25.7 | 36.4 | 0 | 0 | 0 | 111 | A834 V836 G868 A869 N885 | A834-P843 HydrophobicContact CB-CB 3.96Å; A834-P843 HydrophobicContact CB-CG 4.21Å; V836-P843 HydrophobicContact CG2-CG 4.14Å; P843-G868 WeakPolarHBondContact O-CA 3.33Å; P843-A869 HydrophobicContact CB-CB 4.09Å; P843-A869 HydrophobicContact CG-CB 4.05Å; P843-N885 PolarHBondContact O-ND2 3.01Å; P843-N885 VanDerWaalsContact O-ND2 3.07Å | ||
| 844 | K | 94.6 | Very high | 94.5 | Very high | 123 Ų | 123 | 44.7 Ų | 44.7 | 54% | 0.535 | 24% | 0.244 | S | C | . | . | trans | -90 | -17 | 178.3 | -62.6 | -170.4 | -162.2 | 113.5 | 0 | 113.9 | E840 E842 K867 G868 | E840-K844 VanDerWaalsContact OE1-CD 3.26Å; E840-K844 WeakPolarHBondContact OE1-CD 3.45Å; E840-K844 WeakPolarHBondContact OE1-CE 3.33Å; E840-K844 WeakPolarHBondContact OE1-CG 3.48Å; E840-K844 IonicContact OE1-NZ 3.91Å; E840-K844 PolarHBondContact OE1-NZ 2.96Å; E840-K844 PolarHBondContact OE2-N 2.68Å; E840-K844 VanDerWaalsContact OE2-N 3.11Å; E842-K844 PolarHBondContact O-N 3.09Å; K844-K867 CarbonylContact O-C 3.55Å; K844-K867 WeakPolarHBondContact O-CA 3.47Å; K844-G868 PolarHBondContact O-N 2.89Å | ||
| 845 | Q | 95.1 | Very high | 94.2 | Very high | 80 Ų | 80 | 52.3 Ų | 52.3 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | B | Isolated β-bridge | trans | -131.5 | 148.1 | -175.3 | -65.2 | 179.3 | 0.2 | 0 | 0 | 110.5 | F771 M835 | F771-Q845 HydrophobicContact CE1-CB 4.06Å; M835-Q845 HydrophobicContact CB-CB 4.19Å; M835-Q845 HydrophobicContact CG-CB 4.19Å; M835-Q845 PolarHBondContact N-O 2.98Å |
| 846 | G | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 177.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | T833 V866 G868 | T833-G846 VanDerWaalsContact O-CA 3.29Å; T833-G846 WeakPolarHBondContact O-CA 3.47Å; G846-V866 VanDerWaalsContact C-CG2 3.45Å; G846-V866 PolarHBondContact N-O 3.43Å; G846-V866 WeakPolarHBondContact O-CG2 3.2Å; G846-V866 PolarHBondContact O-N 3.43Å; G846-V866 VanDerWaalsContact O-O 3.1Å; G846-G868 WeakPolarHBondContact CA-O 3.34Å; G846-G868 PolarHBondContact N-O 2.7Å |
| 847 | R | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 160.9 | 172.3 | 57 | 171.3 | 176 | 154.7 | 13.5 | 112.4 | S766 F771 E811 T833 V849 E863 K864 | S766-R847 PolarHBondContact OG-NH2 2.86Å; F771-R847 HydrophobicContact CE2-CB 4.44Å; F771-R847 HydrophobicContact CE2-CG 3.97Å; F771-R847 HydrophobicContact CZ-CG 4.45Å; E811-R847 VanDerWaalsContact CD-NH2 3.34Å; E811-R847 WeakPolarHBondContact OE1-CG 3.38Å; E811-R847 IonicContact OE1-CZ 2.65Å; E811-R847 IonicContact OE1-NE 3.81Å; E811-R847 PolarHBondContact OE1-NE 2.78Å; E811-R847 IonicContact OE1-NH2 3.08Å; E811-R847 PolarHBondContact OE1-NH2 3.36Å; E811-R847 VanDerWaalsContact OE1-NH2 3.1Å; E811-R847 IonicContact OE2-CZ 3.47Å; E811-R847 IonicContact OE2-NE 3.91Å; E811-R847 IonicContact OE2-NH2 2.89Å; E811-R847 PolarHBondContact OE2-NH2 3.27Å; T833-R847 PolarHBondContact N-O 2.84Å; T833-R847 PolarHBondContact O-N 3.06Å; T833-R847 WeakPolarHBondContact OG1-CG 3.43Å; T833-R847 PolarHBondContact OG1-N 3.27Å; T833-R847 PolarHBondContact OG1-O 3.37Å; R847-V849 HydrophobicContact CG-CG2 3.95Å; R847-E863 IonicContact NH1-OE1 3.95Å; R847-E863 PolarHBondContact NH1-OE1 3.46Å; R847-E863 VanDerWaalsContact NH1-OE1 3.08Å; R847-E863 IonicContact NH1-OE2 2.86Å; R847-E863 PolarHBondContact NH1-OE2 2.59Å; R847-K864 CarbonylContact C-O 3.55Å; R847-K864 WeakPolarHBondContact CA-O 3.23Å; R847-K864 WeakPolarHBondContact CB-O 3.28Å |
| 848 | I | 98.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.8 | 167.8 | -58.3 | 172.7 | 0 | 0 | 0 | 107.1 | I830 V831 E863 K864 V866 V870 M873 L880 A882 Y891 L899 | I830-I848 HydrophobicContact CG2-CG2 3.46Å; I830-I848 VanDerWaalsContact CG2-CG2 3.46Å; V831-I848 CarbonylContact O-C 3.55Å; V831-I848 WeakPolarHBondContact O-CA 3.27Å; I848-E863 CarbonylContact O-C 3.54Å; I848-E863 WeakPolarHBondContact O-CA 3.41Å; I848-K864 HydrophobicContact CB-CB 4.3Å; I848-K864 PolarHBondContact N-O 2.77Å; I848-K864 PolarHBondContact O-N 3.21Å; I848-V866 HydrophobicContact CD1-CG1 4.3Å; I848-V866 HydrophobicContact CG1-CG1 4.35Å; I848-V870 HydrophobicContact CG1-CG1 4.35Å; I848-V870 HydrophobicContact CG1-CG2 4.01Å; I848-M873 HydrophobicContact CD1-SD 4.49Å; I848-M873 HydrophobicContact CG1-SD 4.34Å; I848-M873 HydrophobicContact CG2-SD 4.08Å; I848-L880 HydrophobicContact CD1-CD2 4.3Å; I848-L880 HydrophobicContact CG2-CD2 3.86Å; I848-A882 HydrophobicContact CD1-CB 4.23Å; I848-Y891 HydrophobicContact CD1-CD2 4.16Å; I848-Y891 HydrophobicContact CD1-CE2 3.53Å; I848-L899 HydrophobicContact CB-CD1 4.15Å; I848-L899 HydrophobicContact CG2-CD1 3.64Å |
| 849 | V | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124.8 | -179.4 | -169.7 | 0 | 0 | 0 | 0 | 108.9 | I830 V831 R847 F851 T860 E863 | I830-V849 WeakPolarHBondContact CA-O 3.4Å; V831-V849 PolarHBondContact N-O 3.45Å; V831-V849 PolarHBondContact O-N 2.97Å; R847-V849 HydrophobicContact CG-CG2 3.95Å; V849-F851 HydrophobicContact CB-CD2 4.46Å; V849-F851 HydrophobicContact CB-CE2 3.78Å; V849-F851 HydrophobicContact CB-CZ 4.12Å; V849-F851 HydrophobicContact CG1-CD1 4.46Å; V849-F851 HydrophobicContact CG1-CD2 4.03Å; V849-F851 HydrophobicContact CG1-CE1 3.9Å; V849-F851 HydrophobicContact CG1-CE2 3.41Å; V849-F851 VanDerWaalsContact CG1-CE2 3.41Å; V849-F851 HydrophobicContact CG1-CZ 3.33Å; V849-T860 HydrophobicContact CG1-CG2 3.75Å; V849-E863 HydrophobicContact CG1-CG 4.25Å |
| 850 | V | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 118.2 | 179.5 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | Y828 I830 V861 A862 W893 L899 | Y828-V850 HydrophobicContact CD1-CG1 3.86Å; Y828-V850 HydrophobicContact CD2-CG1 4.34Å; Y828-V850 HydrophobicContact CG-CG1 3.71Å; I830-V850 HydrophobicContact CG1-CG1 4.26Å; I830-V850 HydrophobicContact CG1-CG2 4.29Å; I830-V850 HydrophobicContact CG2-CG2 4.19Å; V850-V861 HydrophobicContact CG1-CB 4.29Å; V850-V861 PolarHBondContact O-N 3.32Å; V850-A862 HydrophobicContact CB-CB 4.08Å; V850-A862 HydrophobicContact CG2-CB 4.15Å; V850-A862 PolarHBondContact N-O 3.37Å; V850-A862 PolarHBondContact O-N 3.19Å; V850-W893 HydrophobicContact CB-CH2 4.33Å; V850-W893 HydrophobicContact CG1-CH2 3.95Å; V850-W893 HydrophobicContact CG1-CZ3 4.46Å; V850-W893 HydrophobicContact CG2-CH2 4.26Å; V850-W893 HydrophobicContact CG2-CZ3 4.03Å; V850-L899 HydrophobicContact CG2-CD1 4.07Å |
| 851 | F | 98.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 143.5 | 177.7 | -62.1 | -82.6 | 0 | 0 | 0 | 111.5 | L791 H805 F807 Y828 F829 V831 V849 L858 Q859 T860 | L791-F851 HydrophobicContact CD2-CD2 3.71Å; L791-F851 HydrophobicContact CD2-CE2 3.96Å; L791-F851 HydrophobicContact CD2-CG 4.22Å; H805-F851 AromaticContact CD2-CE1 3.96Å; H805-F851 AromaticContact CD2-CZ 3.54Å; H805-F851 AromaticContact CE1-CE1 3.91Å; H805-F851 AromaticContact NE2-CE1 3.86Å; H805-F851 AromaticContact NE2-CZ 3.6Å; F807-F851 HydrophobicContact CE1-CE2 4.37Å; F807-F851 HydrophobicContact CE1-CZ 4.31Å; F807-F851 HydrophobicContact CZ-CE2 4.26Å; F807-F851 HydrophobicContact CZ-CZ 4.46Å; Y828-F851 CarbonylContact C-O 3.56Å; Y828-F851 VanDerWaalsContact CA-O 3.31Å; Y828-F851 WeakPolarHBondContact CA-O 3.34Å; Y828-F851 WeakPolarHBondContact CB-O 3.24Å; F829-F851 HydrophobicContact CB-CB 4.31Å; F829-F851 PolarHBondContact N-O 3.32Å; F829-F851 PolarHBondContact O-N 3.34Å; V831-F851 HydrophobicContact CB-CE2 4.35Å; V831-F851 HydrophobicContact CG2-CD2 4.14Å; V831-F851 HydrophobicContact CG2-CE2 3.98Å; V849-F851 HydrophobicContact CB-CD2 4.46Å; V849-F851 HydrophobicContact CB-CE2 3.78Å; V849-F851 HydrophobicContact CB-CZ 4.12Å; V849-F851 HydrophobicContact CG1-CD1 4.46Å; V849-F851 HydrophobicContact CG1-CD2 4.03Å; V849-F851 HydrophobicContact CG1-CE1 3.9Å; V849-F851 HydrophobicContact CG1-CE2 3.41Å; V849-F851 VanDerWaalsContact CG1-CE2 3.41Å; V849-F851 HydrophobicContact CG1-CZ 3.33Å; F851-L858 HydrophobicContact CB-CD1 3.77Å; F851-L858 HydrophobicContact CB-CG 4.15Å; F851-L858 HydrophobicContact CD1-CD1 4.47Å; F851-L858 HydrophobicContact CD1-CD2 3.91Å; F851-L858 HydrophobicContact CD1-CG 3.92Å; F851-L858 HydrophobicContact CE1-CD2 4.3Å; F851-L858 HydrophobicContact CG-CD1 4.36Å; F851-L858 HydrophobicContact CG-CD2 4.28Å; F851-L858 HydrophobicContact CG-CG 4.28Å; F851-Q859 CarbonylContact C-O 3.57Å; F851-Q859 VanDerWaalsContact CA-O 3.31Å; F851-Q859 WeakPolarHBondContact CA-O 3.44Å; F851-T860 VanDerWaalsContact CE1-OG1 3.3Å; F851-T860 WeakPolarHBondContact CE1-OG1 3.44Å |
| 852 | Q | 97.5 | Very high | 95.6 | Very high | 35 Ų | 35 | 48.2 Ų | 48.2 | 16% | 0.164 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125.5 | 167.4 | -175.9 | 171.2 | 3.1 | 0 | 0 | 108.8 | N826 Y828 Q859 V861 | N826-Q852 PolarHBondContact OD1-NE2 3.15Å; Y828-Q852 HydrophobicContact CD1-CB 3.88Å; Y828-Q852 HydrophobicContact CD1-CG 4.4Å; Y828-Q852 HydrophobicContact CE1-CB 3.94Å; Y828-Q852 HydrophobicContact CE1-CG 4.25Å; Q852-Q859 PolarHBondContact N-O 2.85Å; Q852-Q859 PolarHBondContact O-N 3.42Å; Q852-V861 HydrophobicContact CB-CG2 3.58Å |
| 853 | Y | 97.3 | Very high | 95.8 | Very high | 32 Ų | 32 | 46.8 Ų | 46.8 | 13% | 0.125 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 116.6 | 171.5 | -173.8 | -111.3 | 0 | 0 | 0 | 109.4 | I793 L802 K857 L858 | I793-Y853 HydrophobicContact CG1-CD2 4.28Å; I793-Y853 HydrophobicContact CG2-CD1 3.89Å; I793-Y853 HydrophobicContact CG2-CD2 4.16Å; I793-Y853 HydrophobicContact CG2-CE1 3.77Å; I793-Y853 HydrophobicContact CG2-CE2 4.07Å; I793-Y853 HydrophobicContact CG2-CG 4.07Å; L802-Y853 HydrophobicContact CD1-CE1 4.38Å; L802-Y853 WeakPolarHBondContact CD1-OH 3.32Å; Y853-K857 WeakPolarHBondContact CA-O 3.48Å; Y853-L858 HydrophobicContact CD2-CB 4.18Å; Y853-L858 HydrophobicContact CD2-CD1 4.16Å; Y853-L858 HydrophobicContact CG-CD1 4.47Å |
| 854 | S | 94.5 | Very high | 95.8 | Very high | 38 Ų | 38 | 49 Ų | 49 | 27% | 0.266 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 143.1 | -180 | 58.6 | 0 | 0 | 0 | 0 | 110 | G856 K857 | S854-G856 PolarHBondContact O-N 3.08Å; S854-K857 PolarHBondContact N-O 2.88Å; S854-K857 PolarHBondContact O-N 3.48Å |
| 855 | D | 91.1 | Very high | 95.9 | Very high | 161 Ų | 161 | 47.5 Ų | 47.5 | 86% | 0.861 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 39 | 179 | -55.3 | -39.6 | 0 | 0 | 0 | 113.6 | K857 | D855-K857 PolarHBondContact O-N 3.43Š|
| 856 | G | 90.6 | Very high | 95.9 | Very high | 41 Ų | 41 | 43.9 Ų | 43.9 | 42% | 0.423 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 12 | 180 | 0 | 0 | 0 | 0 | 0 | 114.9 | S854 | S854-G856 PolarHBondContact O-N 3.08Š|
| 857 | K | 94.5 | Very high | 95.9 | Very high | 138 Ų | 138 | 52.7 Ų | 52.7 | 60% | 0.6 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 132.2 | -178.7 | -65.6 | 179.7 | -177.4 | 176.5 | 0 | 111.1 | Y853 S854 D855 | Y853-K857 WeakPolarHBondContact CA-O 3.48Å; S854-K857 PolarHBondContact N-O 2.88Å; S854-K857 PolarHBondContact O-N 3.48Å; D855-K857 PolarHBondContact O-N 3.43Å |
| 858 | L | 96.9 | Very high | 95.9 | Very high | 19 Ų | 19 | 52.7 Ų | 52.7 | 10% | 0.099 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 123.7 | 169.3 | -165.8 | 72.1 | 0 | 0 | 0 | 109.5 | L791 I793 H805 F851 Y853 | L791-L858 HydrophobicContact CD2-CD2 4.05Å; I793-L858 HydrophobicContact CD1-CD1 4.04Å; I793-L858 HydrophobicContact CG1-CD1 4.11Å; H805-L858 HydrophobicContact CB-CD2 3.8Å; F851-L858 HydrophobicContact CB-CD1 3.77Å; F851-L858 HydrophobicContact CB-CG 4.15Å; F851-L858 HydrophobicContact CD1-CD1 4.47Å; F851-L858 HydrophobicContact CD1-CD2 3.91Å; F851-L858 HydrophobicContact CD1-CG 3.92Å; F851-L858 HydrophobicContact CE1-CD2 4.3Å; F851-L858 HydrophobicContact CG-CD1 4.36Å; F851-L858 HydrophobicContact CG-CD2 4.28Å; F851-L858 HydrophobicContact CG-CG 4.28Å; Y853-L858 HydrophobicContact CD2-CB 4.18Å; Y853-L858 HydrophobicContact CD2-CD1 4.16Å; Y853-L858 HydrophobicContact CG-CD1 4.47Å |
| 859 | Q | 96.1 | Very high | 95.8 | Very high | 104 Ų | 104 | 52.7 Ų | 52.7 | 49% | 0.486 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 133.1 | 179.3 | -62.2 | -179.7 | 26.9 | 0 | 0 | 110.5 | F851 Q852 V861 | F851-Q859 CarbonylContact C-O 3.57Å; F851-Q859 VanDerWaalsContact CA-O 3.31Å; F851-Q859 WeakPolarHBondContact CA-O 3.44Å; Q852-Q859 PolarHBondContact N-O 2.85Å; Q852-Q859 PolarHBondContact O-N 3.42Å; Q859-V861 PolarHBondContact O-N 2.88Å |
| 860 | T | 95.9 | Very high | 95.9 | Very high | 67 Ų | 67 | 52.7 Ų | 52.7 | 41% | 0.411 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 116.6 | 170 | -52.3 | 0 | 0 | 0 | 0 | 109.5 | V849 F851 E863 | V849-T860 HydrophobicContact CG1-CG2 3.75Å; F851-T860 VanDerWaalsContact CE1-OG1 3.3Å; F851-T860 WeakPolarHBondContact CE1-OG1 3.44Å; T860-E863 HydrophobicContact CG2-CG 3.88Å |
| 861 | V | 96.2 | Very high | 95.9 | Very high | 41 Ų | 41 | 55.3 Ų | 55.3 | 25% | 0.248 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -41.1 | -178.6 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | Y828 V850 Q852 Q859 W893 K897 | Y828-V861 HydrophobicContact CD1-CG2 4.26Å; Y828-V861 HydrophobicContact CE1-CB 4.45Å; Y828-V861 HydrophobicContact CE1-CG1 4.25Å; Y828-V861 HydrophobicContact CE1-CG2 3.93Å; V850-V861 HydrophobicContact CG1-CB 4.29Å; V850-V861 PolarHBondContact O-N 3.32Å; Q852-V861 HydrophobicContact CB-CG2 3.58Å; Q859-V861 PolarHBondContact O-N 2.88Å; V861-W893 HydrophobicContact CG1-CH2 4.14Å; V861-W893 HydrophobicContact CG1-CZ2 4.19Å; V861-K897 HydrophobicContact CG1-CB 4.08Å; V861-K897 HydrophobicContact CG1-CD 3.72Å |
| 862 | A | 95.8 | Very high | 95.9 | Very high | 15 Ų | 15 | 56.3 Ų | 56.3 | 12% | 0.124 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 153 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V850 W893 K897 | V850-A862 HydrophobicContact CB-CB 4.08Å; V850-A862 HydrophobicContact CG2-CB 4.15Å; V850-A862 PolarHBondContact N-O 3.37Å; V850-A862 PolarHBondContact O-N 3.19Å; A862-W893 HydrophobicContact CB-CH2 3.81Å; A862-W893 HydrophobicContact CB-CZ3 3.96Å; A862-K897 VanDerWaalsContact CB-O 3.25Å; A862-K897 WeakPolarHBondContact CB-O 3.42Å |
| 863 | E | 95 | Very high | 95.9 | Very high | 69 Ų | 69 | 55.1 Ų | 55.1 | 32% | 0.322 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 135.6 | 171.8 | -64.8 | -171.3 | -171.1 | 0 | 0 | 109.6 | S768 R847 I848 V849 T860 | S768-E863 PolarHBondContact OG-OE2 3.34Å; R847-E863 IonicContact NH1-OE1 3.95Å; R847-E863 PolarHBondContact NH1-OE1 3.46Å; R847-E863 VanDerWaalsContact NH1-OE1 3.08Å; R847-E863 IonicContact NH1-OE2 2.86Å; R847-E863 PolarHBondContact NH1-OE2 2.59Å; I848-E863 CarbonylContact O-C 3.54Å; I848-E863 WeakPolarHBondContact O-CA 3.41Å; V849-E863 HydrophobicContact CG1-CG 4.25Å; T860-E863 HydrophobicContact CG2-CG 3.88Å |
| 864 | K | 96.2 | Very high | 95.9 | Very high | 64 Ų | 64 | 54.8 Ų | 54.8 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 112.6 | 177.3 | -178.4 | 64.8 | 172.4 | -157.3 | 0 | 110.7 | R847 I848 V866 Y891 L899 | R847-K864 CarbonylContact C-O 3.55Å; R847-K864 WeakPolarHBondContact CA-O 3.23Å; R847-K864 WeakPolarHBondContact CB-O 3.28Å; I848-K864 HydrophobicContact CB-CB 4.3Å; I848-K864 PolarHBondContact N-O 2.77Å; I848-K864 PolarHBondContact O-N 3.21Å; K864-V866 HydrophobicContact CG-CG1 4.44Å; K864-Y891 HydrophobicContact CG-CE1 4.12Å; K864-L899 HydrophobicContact CB-CB 4.23Å; K864-L899 HydrophobicContact CB-CD1 4.1Å; K864-L899 WeakPolarHBondContact CE-O 3.42Å; K864-L899 HydrophobicContact CG-CB 4.28Å; K864-L899 PolarHBondContact NZ-O 3.34Å |
| 865 | E | 95.6 | Very high | 96 | Very high | 93 Ų | 93 | 56.6 Ų | 56.6 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 138.4 | 172.3 | -166.9 | -170.9 | 152.7 | 0 | 0 | 111.3 | L770 | L770-E865 HydrophobicContact CD1-CB 4.39Å |
| 866 | V | 96.5 | Very high | 96.3 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.024 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 156.4 | 176.9 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | G846 I848 K864 G868 V870 I884 Y891 | G846-V866 VanDerWaalsContact C-CG2 3.45Å; G846-V866 PolarHBondContact N-O 3.43Å; G846-V866 WeakPolarHBondContact O-CG2 3.2Å; G846-V866 PolarHBondContact O-N 3.43Å; G846-V866 VanDerWaalsContact O-O 3.1Å; I848-V866 HydrophobicContact CD1-CG1 4.3Å; I848-V866 HydrophobicContact CG1-CG1 4.35Å; K864-V866 HydrophobicContact CG-CG1 4.44Å; V866-G868 WeakPolarHBondContact CG2-O 3.46Å; V866-G868 PolarHBondContact O-N 3.1Å; V866-V870 HydrophobicContact CG2-CG2 3.6Å; V866-I884 HydrophobicContact CB-CD1 4Å; V866-I884 HydrophobicContact CB-CG2 4.27Å; V866-I884 HydrophobicContact CG1-CD1 3.8Å; V866-I884 HydrophobicContact CG2-CD1 4.37Å; V866-I884 HydrophobicContact CG2-CG2 4.13Å; V866-Y891 WeakPolarHBondContact CG1-OH 3.48Å |
| 867 | K | 95.5 | Very high | 96.3 | Very high | 185 Ų | 185 | 51 Ų | 51 | 80% | 0.804 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -95.9 | 75.2 | -179.4 | -63.9 | -175.5 | 179.1 | -175.6 | 0 | 110.4 | K844 | K844-K867 CarbonylContact O-C 3.55Å; K844-K867 WeakPolarHBondContact O-CA 3.47Å |
| 868 | G | 95.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 140.1 | 180 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P843 K844 G846 V866 N885 | P843-G868 WeakPolarHBondContact O-CA 3.33Å; K844-G868 PolarHBondContact O-N 2.89Å; G846-G868 WeakPolarHBondContact CA-O 3.34Å; G846-G868 PolarHBondContact N-O 2.7Å; V866-G868 WeakPolarHBondContact CG2-O 3.46Å; V866-G868 PolarHBondContact O-N 3.1Å; G868-N885 WeakPolarHBondContact CA-ND2 3.4Å |
| 869 | A | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -79.9 | 131.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L814 A834 P843 Y871 I884 N885 | L814-A869 HydrophobicContact CD1-CB 3.65Å; A834-A869 HydrophobicContact CB-CB 3.55Å; P843-A869 HydrophobicContact CB-CB 4.09Å; P843-A869 HydrophobicContact CG-CB 4.05Å; A869-Y871 HydrophobicContact CB-CD2 4.32Å; A869-Y871 HydrophobicContact CB-CE1 4.05Å; A869-Y871 HydrophobicContact CB-CE2 3.74Å; A869-Y871 WeakPolarHBondContact O-CD2 3.27Å; A869-Y871 PolarHBondContact O-N 3.15Å; A869-I884 VanDerWaalsContact O-CA 3.25Å; A869-I884 WeakPolarHBondContact O-CA 3.2Å; A869-N885 PolarHBondContact N-OD1 2.97Å; A869-N885 PolarHBondContact O-N 2.67Å; A869-N885 VanDerWaalsContact O-N 3.11Å | ||
| 870 | V | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 87.7 | 177.6 | -169.4 | 0 | 0 | 0 | 0 | 110.4 | L814 S815 I848 V866 M873 A882 S883 I884 | L814-V870 WeakPolarHBondContact CB-O 3.02Å; S815-V870 PolarHBondContact OG-O 2.67Å; I848-V870 HydrophobicContact CG1-CG1 4.35Å; I848-V870 HydrophobicContact CG1-CG2 4.01Å; V866-V870 HydrophobicContact CG2-CG2 3.6Å; V870-M873 HydrophobicContact CG1-CG 3.66Å; V870-M873 HydrophobicContact CG1-SD 3.85Å; V870-A882 HydrophobicContact CG1-CB 4.21Å; V870-S883 CarbonylContact C-O 3.54Å; V870-S883 WeakPolarHBondContact CA-O 3.44Å; V870-I884 HydrophobicContact CG2-CG1 4.28Å |
| 871 | Y | 97.8 | Very high | 96.5 | Very high | 55 Ų | 55 | 38.1 Ų | 38.1 | 22% | 0.216 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | -35.5 | -172 | -69.3 | -69 | 0 | 0 | 0 | 114.5 | L814 A869 S883 M910 L912 | L814-Y871 HydrophobicContact CD1-CD1 4.32Å; L814-Y871 HydrophobicContact CD1-CE1 4.34Å; A869-Y871 HydrophobicContact CB-CD2 4.32Å; A869-Y871 HydrophobicContact CB-CE1 4.05Å; A869-Y871 HydrophobicContact CB-CE2 3.74Å; A869-Y871 WeakPolarHBondContact O-CD2 3.27Å; A869-Y871 PolarHBondContact O-N 3.15Å; Y871-S883 PolarHBondContact N-O 3.25Å; Y871-M910 HydrophobicContact CD2-CG 4.12Å; Y871-M910 HydrophobicContact CD2-SD 4.43Å; Y871-M910 HydrophobicContact CE1-SD 4.39Å; Y871-M910 HydrophobicContact CE2-CE 4.49Å; Y871-M910 HydrophobicContact CE2-CG 3.67Å; Y871-M910 HydrophobicContact CE2-SD 3.6Å; Y871-M910 VanDerWaalsContact CE2-SD 3.6Å; Y871-M910 VanDerWaalsContact CZ-SD 3.57Å; Y871-M910 PolarHBondContact OH-SD 2.82Å; Y871-L912 HydrophobicContact CD1-CD2 3.91Å; Y871-L912 HydrophobicContact CD2-CD2 4.16Å; Y871-L912 HydrophobicContact CE1-CD2 4.21Å; Y871-L912 HydrophobicContact CE2-CD2 4.44Å; Y871-L912 HydrophobicContact CG-CD2 3.89Å |
| 872 | S | 97.9 | Very high | 96.6 | Very high | 21 Ų | 21 | 36.2 Ų | 36.2 | 15% | 0.147 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 147.8 | -179.1 | -169.7 | 0 | 0 | 0 | 0 | 111 | A882 S883 L912 L914 | S872-A882 CarbonylContact O-C 3.56Å; S872-A882 WeakPolarHBondContact O-CA 3.22Å; S872-S883 WeakPolarHBondContact CB-OG 3.37Å; S872-S883 PolarHBondContact N-OG 3.37Å; S872-S883 VanDerWaalsContact N-OG 3.08Å; S872-S883 PolarHBondContact O-N 3.02Å; S872-L912 WeakPolarHBondContact CB-O 3.44Å; S872-L914 PolarHBondContact OG-N 2.82Å |
| 873 | M | 98.3 | Very high | 96.7 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 5% | 0.049 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 140.9 | 175 | -65.6 | -172.7 | -58.9 | 0 | 0 | 110.2 | V817 I830 I848 V870 L880 L881 A882 | V817-M873 HydrophobicContact CG1-CB 4.13Å; V817-M873 HydrophobicContact CG1-CE 4.37Å; I830-M873 HydrophobicContact CB-CE 4.39Å; I830-M873 HydrophobicContact CG2-CE 3.98Å; I830-M873 HydrophobicContact CG2-SD 4.04Å; I830-M873 WeakPolarHBondContact O-CE 3.04Å; I848-M873 HydrophobicContact CD1-SD 4.49Å; I848-M873 HydrophobicContact CG1-SD 4.34Å; I848-M873 HydrophobicContact CG2-SD 4.08Å; V870-M873 HydrophobicContact CG1-CG 3.66Å; V870-M873 HydrophobicContact CG1-SD 3.85Å; M873-L880 HydrophobicContact CB-CD1 4.25Å; M873-L880 HydrophobicContact SD-CD1 4.45Å; M873-L880 HydrophobicContact SD-CD2 4.3Å; M873-L881 CarbonylContact C-O 3.46Å; M873-L881 VanDerWaalsContact CA-O 3.26Å; M873-L881 WeakPolarHBondContact CA-O 3.41Å; M873-A882 HydrophobicContact CG-CB 3.92Å |
| 874 | V | 97.5 | Very high | 96.8 | Very high | 25 Ų | 25 | 32.3 Ų | 32.3 | 15% | 0.152 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 151.8 | 175.4 | -64.4 | 0 | 0 | 0 | 0 | 110 | L881 L914 T916 | V874-L881 HydrophobicContact CG2-CB 3.9Å; V874-L881 HydrophobicContact CG2-CD2 3.81Å; V874-L881 HydrophobicContact CG2-CG 4.33Å; V874-L881 PolarHBondContact N-O 2.97Å; V874-L881 PolarHBondContact O-N 3.47Å; V874-L914 HydrophobicContact CG1-CB 4.37Å; V874-L914 WeakPolarHBondContact CG1-O 3.47Å; V874-L914 HydrophobicContact CG2-CB 4.15Å; V874-T916 HydrophobicContact CG2-CG2 3.67Å |
| 875 | E | 96.6 | Very high | 96.9 | Very high | 76 Ų | 76 | 29.9 Ų | 29.9 | 36% | 0.355 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 136.8 | 167.1 | -173 | -82 | 136.3 | 0 | 0 | 109.3 | C819 N877 G878 | C819-E875 HydrophobicContact CB-CB 3.58Å; C819-E875 HydrophobicContact CB-CG 3.8Å; E875-N877 PolarHBondContact OE1-N 3.41Å; E875-G878 VanDerWaalsContact OE1-CA 3.29Å; E875-G878 WeakPolarHBondContact OE1-CA 3.46Å; E875-G878 PolarHBondContact OE1-N 3.31Å |
| 876 | F | 96.4 | Very high | 96.9 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 1% | 0.013 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 109.5 | -177.9 | -177.6 | -108.8 | 0 | 0 | 0 | 110.5 | G878 K879 L881 L890 T916 G918 I921 Y935 | F876-G878 VanDerWaalsContact C-N 3.32Å; F876-G878 PolarHBondContact O-N 2.98Å; F876-K879 PolarHBondContact N-O 2.79Å; F876-K879 WeakPolarHBondContact O-CA 3.48Å; F876-K879 VanDerWaalsContact O-CB 3.26Å; F876-K879 WeakPolarHBondContact O-CB 3.39Å; F876-K879 PolarHBondContact O-N 3.2Å; F876-L881 HydrophobicContact CB-CB 3.99Å; F876-L890 HydrophobicContact CD1-CD1 3.88Å; F876-T916 HydrophobicContact CB-CG2 4.31Å; F876-T916 HydrophobicContact CD2-CG2 3.47Å; F876-T916 VanDerWaalsContact CD2-CG2 3.47Å; F876-T916 HydrophobicContact CE2-CG2 4.1Å; F876-T916 HydrophobicContact CG-CG2 4.17Å; F876-G918 VanDerWaalsContact CE2-O 3.25Å; F876-G918 WeakPolarHBondContact CE2-O 3.1Å; F876-I921 HydrophobicContact CD1-CD1 4.36Å; F876-I921 HydrophobicContact CD2-CG1 4.26Å; F876-I921 HydrophobicContact CE1-CD1 3.92Å; F876-I921 HydrophobicContact CE1-CG1 4.3Å; F876-I921 HydrophobicContact CE2-CD1 4.33Å; F876-I921 HydrophobicContact CE2-CG1 3.8Å; F876-I921 HydrophobicContact CZ-CD1 3.89Å; F876-I921 HydrophobicContact CZ-CG1 3.82Å; F876-Y935 VanDerWaalsContact CE1-CB 3.48Å; F876-Y935 AromaticContact CE1-CD1 3.72Å; F876-Y935 HydrophobicContact CE1-CD1 3.72Å; F876-Y935 AromaticContact CE1-CG 3.73Å; F876-Y935 HydrophobicContact CE1-CG 3.73Å; F876-Y935 HydrophobicContact CZ-CD1 4.32Å; F876-Y935 HydrophobicContact CZ-CG 4.33Å |
| 877 | N | 92.4 | Very high | 96.9 | Very high | 81 Ų | 81 | 28.6 Ų | 28.6 | 43% | 0.433 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 42.4 | 177.5 | -72.8 | -21.9 | 0 | 0 | 0 | 114 | E875 K879 D919 | E875-N877 PolarHBondContact OE1-N 3.41Å; N877-K879 PolarHBondContact O-N 3.19Å; N877-D919 PolarHBondContact ND2-OD1 2.8Å |
| 878 | G | 93.2 | Very high | 97 | Very high | 21 Ų | 21 | 19.8 Ų | 19.8 | 22% | 0.216 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 12.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | G822 E875 F876 | G822-G878 WeakPolarHBondContact CA-O 3.19Å; G822-G878 PolarHBondContact N-O 3.45Å; E875-G878 VanDerWaalsContact OE1-CA 3.29Å; E875-G878 WeakPolarHBondContact OE1-CA 3.46Å; E875-G878 PolarHBondContact OE1-N 3.31Å; F876-G878 VanDerWaalsContact C-N 3.32Å; F876-G878 PolarHBondContact O-N 2.98Å |
| 879 | K | 96.3 | Very high | 97.1 | Very high | 37 Ų | 37 | 22.3 Ų | 22.3 | 16% | 0.161 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 169.1 | -179.1 | -62.8 | 175.2 | -173.6 | 178.8 | 0 | 109.6 | F876 N877 L890 Y891 E902 Y935 | F876-K879 PolarHBondContact N-O 2.79Å; F876-K879 WeakPolarHBondContact O-CA 3.48Å; F876-K879 VanDerWaalsContact O-CB 3.26Å; F876-K879 WeakPolarHBondContact O-CB 3.39Å; F876-K879 PolarHBondContact O-N 3.2Å; N877-K879 PolarHBondContact O-N 3.19Å; K879-L890 HydrophobicContact CB-CD1 3.75Å; K879-L890 HydrophobicContact CB-CG 4.2Å; K879-L890 HydrophobicContact CD-CD1 4.3Å; K879-L890 HydrophobicContact CD-CD2 3.8Å; K879-L890 HydrophobicContact CD-CG 3.98Å; K879-Y891 VanDerWaalsContact CB-O 3.28Å; K879-Y891 WeakPolarHBondContact CB-O 3.23Å; K879-E902 WeakPolarHBondContact CD-OE2 3.32Å; K879-E902 WeakPolarHBondContact CE-OE2 3.29Å; K879-E902 IonicContact NZ-OE1 3.31Å; K879-E902 PolarHBondContact NZ-OE1 2.81Å; K879-E902 IonicContact NZ-OE2 3.66Å; K879-E902 PolarHBondContact NZ-OE2 3.31Å; K879-Y935 PolarHBondContact NZ-OH 2.62Å |
| 880 | L | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 117.8 | 174.9 | -177.6 | 69.6 | 0 | 0 | 0 | 109.4 | V817 L821 I830 I848 M873 Y891 L899 | V817-L880 HydrophobicContact CG1-CD1 4.06Å; L821-L880 HydrophobicContact CD2-CB 4.17Å; I830-L880 HydrophobicContact CD1-CD1 4.01Å; I830-L880 HydrophobicContact CD1-CD2 4.36Å; I830-L880 HydrophobicContact CG2-CD1 4.47Å; I830-L880 HydrophobicContact CG2-CD2 3.91Å; I848-L880 HydrophobicContact CD1-CD2 4.3Å; I848-L880 HydrophobicContact CG2-CD2 3.86Å; M873-L880 HydrophobicContact CB-CD1 4.25Å; M873-L880 HydrophobicContact SD-CD1 4.45Å; M873-L880 HydrophobicContact SD-CD2 4.3Å; L880-Y891 PolarHBondContact N-O 2.94Å; L880-Y891 PolarHBondContact O-N 2.85Å; L880-L899 HydrophobicContact CB-CD2 4.22Å; L880-L899 HydrophobicContact CD2-CD1 3.95Å; L880-L899 HydrophobicContact CD2-CD2 4.04Å |
| 881 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 131.4 | 171.3 | -174.4 | 74.6 | 0 | 0 | 0 | 108.9 | M873 V874 F876 V888 L890 L914 T916 I921 F942 | M873-L881 CarbonylContact C-O 3.46Å; M873-L881 VanDerWaalsContact CA-O 3.26Å; M873-L881 WeakPolarHBondContact CA-O 3.41Å; V874-L881 HydrophobicContact CG2-CB 3.9Å; V874-L881 HydrophobicContact CG2-CD2 3.81Å; V874-L881 HydrophobicContact CG2-CG 4.33Å; V874-L881 PolarHBondContact N-O 2.97Å; V874-L881 PolarHBondContact O-N 3.47Å; F876-L881 HydrophobicContact CB-CB 3.99Å; L881-V888 HydrophobicContact CD1-CG1 3.75Å; L881-V888 HydrophobicContact CG-CG1 4.24Å; L881-L890 HydrophobicContact CB-CD1 4.2Å; L881-L890 HydrophobicContact CD1-CB 4.47Å; L881-L890 HydrophobicContact CD1-CD1 4.01Å; L881-L914 HydrophobicContact CD2-CD1 4.09Å; L881-L914 HydrophobicContact CD2-CD2 4.45Å; L881-L914 HydrophobicContact CG-CD1 3.98Å; L881-T916 HydrophobicContact CD2-CG2 3.94Å; L881-I921 HydrophobicContact CD1-CD1 4.02Å; L881-I921 HydrophobicContact CD2-CB 4.32Å; L881-I921 HydrophobicContact CD2-CD1 3.83Å; L881-I921 HydrophobicContact CD2-CG1 3.84Å; L881-I921 HydrophobicContact CD2-CG2 3.54Å; L881-F942 HydrophobicContact CD1-CE1 4.3Å; L881-F942 HydrophobicContact CD1-CE2 4.35Å; L881-F942 HydrophobicContact CD1-CZ 3.55Å |
| 882 | A | 98.5 | Very high | 97 | 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 | -135.8 | 143 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I848 V870 S872 M873 I884 R889 Y891 | I848-A882 HydrophobicContact CD1-CB 4.23Å; V870-A882 HydrophobicContact CG1-CB 4.21Å; S872-A882 CarbonylContact O-C 3.56Å; S872-A882 WeakPolarHBondContact O-CA 3.22Å; M873-A882 HydrophobicContact CG-CB 3.92Å; A882-I884 HydrophobicContact CB-CD1 4.43Å; A882-I884 HydrophobicContact CB-CG1 4.29Å; A882-R889 PolarHBondContact N-O 3.39Å; A882-R889 PolarHBondContact O-N 3.4Å; A882-Y891 HydrophobicContact CB-CE2 4.14Å |
| 883 | S | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 126.2 | 167.9 | 68.8 | 0 | 0 | 0 | 0 | 109.8 | V870 Y871 S872 T887 A911 L914 | V870-S883 CarbonylContact C-O 3.54Å; V870-S883 WeakPolarHBondContact CA-O 3.44Å; Y871-S883 PolarHBondContact N-O 3.25Å; S872-S883 WeakPolarHBondContact CB-OG 3.37Å; S872-S883 PolarHBondContact N-OG 3.37Å; S872-S883 VanDerWaalsContact N-OG 3.08Å; S872-S883 PolarHBondContact O-N 3.02Å; S883-T887 CarbonylContact C-O 3.55Å; S883-T887 WeakPolarHBondContact CA-O 3.36Å; S883-A911 WeakPolarHBondContact CB-O 3.48Å; S883-A911 PolarHBondContact OG-O 2.76Å; S883-L914 VanDerWaalsContact N-CD1 3.3Å |
| 884 | I | 98 | Very high | 96.8 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 105.1 | -172.4 | -51 | 170.4 | 0 | 0 | 0 | 108.1 | V866 A869 V870 A882 S886 T887 R889 Y891 | V866-I884 HydrophobicContact CB-CD1 4Å; V866-I884 HydrophobicContact CB-CG2 4.27Å; V866-I884 HydrophobicContact CG1-CD1 3.8Å; V866-I884 HydrophobicContact CG2-CD1 4.37Å; V866-I884 HydrophobicContact CG2-CG2 4.13Å; A869-I884 VanDerWaalsContact O-CA 3.25Å; A869-I884 WeakPolarHBondContact O-CA 3.2Å; V870-I884 HydrophobicContact CG2-CG1 4.28Å; A882-I884 HydrophobicContact CB-CD1 4.43Å; A882-I884 HydrophobicContact CB-CG1 4.29Å; I884-S886 PolarHBondContact O-N 2.9Å; I884-S886 VanDerWaalsContact O-N 3.1Å; I884-T887 PolarHBondContact N-O 3.35Å; I884-T887 PolarHBondContact O-N 3.09Å; I884-T887 PolarHBondContact O-OG1 2.88Å; I884-R889 HydrophobicContact CD1-CB 4.43Å; I884-Y891 HydrophobicContact CD1-CE2 4.3Å; I884-Y891 WeakPolarHBondContact CD1-OH 3.44Å |
| 885 | N | 96.7 | Very high | 96.6 | Very high | 13 Ų | 13 | 28.1 Ų | 28.1 | 7% | 0.07 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.3 | -115 | -167.2 | -68.3 | -2.6 | 0 | 0 | 0 | 111.4 | P843 G868 A869 T887 M910 A911 | P843-N885 PolarHBondContact O-ND2 3.01Å; P843-N885 VanDerWaalsContact O-ND2 3.07Å; G868-N885 WeakPolarHBondContact CA-ND2 3.4Å; A869-N885 PolarHBondContact N-OD1 2.97Å; A869-N885 PolarHBondContact O-N 2.67Å; A869-N885 VanDerWaalsContact O-N 3.11Å; N885-T887 VanDerWaalsContact C-N 3.33Å; N885-T887 PolarHBondContact O-N 2.9Å; N885-M910 CarbonylContact O-C 3.6Å; N885-M910 WeakPolarHBondContact O-CA 3.5Å; N885-A911 PolarHBondContact O-N 2.81Å |
| 886 | S | 95.8 | Very high | 96.4 | Very high | 50 Ų | 50 | 30.8 Ų | 30.8 | 35% | 0.35 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 3.6 | -179.1 | 54.2 | 0 | 0 | 0 | 0 | 114.7 | I884 N908 I909 | I884-S886 PolarHBondContact O-N 2.9Å; I884-S886 VanDerWaalsContact O-N 3.1Å; S886-N908 VanDerWaalsContact CB-O 3.24Å; S886-N908 WeakPolarHBondContact CB-O 3.13Å; S886-N908 WeakPolarHBondContact O-CB 3.44Å; S886-N908 PolarHBondContact O-ND2 2.86Å; S886-I909 WeakPolarHBondContact CB-O 3.25Å |
| 887 | T | 97.5 | Very high | 96.3 | Very high | 20 Ų | 20 | 33.9 Ų | 33.9 | 12% | 0.123 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 140.6 | -172.2 | 66.4 | 0 | 0 | 0 | 0 | 112.5 | S883 I884 N885 H905 Y906 | S883-T887 CarbonylContact C-O 3.55Å; S883-T887 WeakPolarHBondContact CA-O 3.36Å; I884-T887 PolarHBondContact N-O 3.35Å; I884-T887 PolarHBondContact O-N 3.09Å; I884-T887 PolarHBondContact O-OG1 2.88Å; N885-T887 VanDerWaalsContact C-N 3.33Å; N885-T887 PolarHBondContact O-N 2.9Å; T887-H905 WeakPolarHBondContact CA-O 3.23Å; T887-Y906 HydrophobicContact CG2-CD1 3.65Å; T887-Y906 HydrophobicContact CG2-CE1 3.76Å |
| 888 | V | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125.8 | 167 | 176.9 | 0 | 0 | 0 | 0 | 107.5 | L881 N904 H905 A911 L914 V923 L933 F942 | L881-V888 HydrophobicContact CD1-CG1 3.75Å; L881-V888 HydrophobicContact CG-CG1 4.24Å; V888-N904 CarbonylContact O-C 3.57Å; V888-N904 WeakPolarHBondContact O-CA 3.47Å; V888-H905 HydrophobicContact CB-CB 4.35Å; V888-H905 PolarHBondContact N-O 3.43Å; V888-H905 PolarHBondContact O-N 2.9Å; V888-A911 HydrophobicContact CG2-CB 3.87Å; V888-L914 HydrophobicContact CG1-CD2 4.1Å; V888-L914 HydrophobicContact CG2-CD2 4.05Å; V888-V923 HydrophobicContact CG2-CG1 3.9Å; V888-V923 HydrophobicContact CG2-CG2 3.98Å; V888-L933 HydrophobicContact CG1-CD1 4.47Å; V888-F942 HydrophobicContact CG1-CE2 4.4Å |
| 889 | R | 97.5 | Very high | 96.6 | Very high | 53 Ų | 53 | 35.5 Ų | 35.5 | 20% | 0.2 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 134 | -168.9 | -177.8 | 173 | -80.8 | -177.8 | -2.7 | 111.4 | A882 I884 Y891 T901 N904 | A882-R889 PolarHBondContact N-O 3.39Å; A882-R889 PolarHBondContact O-N 3.4Å; I884-R889 HydrophobicContact CD1-CB 4.43Å; R889-Y891 HydrophobicContact CB-CE2 4.2Å; R889-Y891 WeakPolarHBondContact CD-OH 3.36Å; R889-Y891 HydrophobicContact CG-CD2 4.28Å; R889-Y891 HydrophobicContact CG-CE1 4.24Å; R889-Y891 HydrophobicContact CG-CE2 3.76Å; R889-T901 HydrophobicContact CG-CG2 3.84Å; R889-N904 VanDerWaalsContact CZ-OD1 3.27Å; R889-N904 PolarHBondContact NE-OD1 2.94Å; R889-N904 PolarHBondContact NH2-OD1 2.76Å |
| 890 | L | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 133.8 | 173.7 | -164.1 | 60.4 | 0 | 0 | 0 | 110.6 | F876 K879 L881 E902 C903 Y935 F942 | F876-L890 HydrophobicContact CD1-CD1 3.88Å; K879-L890 HydrophobicContact CB-CD1 3.75Å; K879-L890 HydrophobicContact CB-CG 4.2Å; K879-L890 HydrophobicContact CD-CD1 4.3Å; K879-L890 HydrophobicContact CD-CD2 3.8Å; K879-L890 HydrophobicContact CD-CG 3.98Å; L881-L890 HydrophobicContact CB-CD1 4.2Å; L881-L890 HydrophobicContact CD1-CB 4.47Å; L881-L890 HydrophobicContact CD1-CD1 4.01Å; L890-E902 PolarHBondContact O-N 3.44Å; L890-C903 PolarHBondContact N-O 2.83Å; L890-Y935 HydrophobicContact CD2-CD2 3.93Å; L890-Y935 HydrophobicContact CD2-CE1 4.4Å; L890-Y935 HydrophobicContact CD2-CE2 3.56Å; L890-Y935 HydrophobicContact CD2-CG 4.5Å; L890-F942 HydrophobicContact CB-CE2 4.32Å; L890-F942 HydrophobicContact CB-CZ 3.77Å; L890-F942 HydrophobicContact CD2-CZ 4.41Å |
| 891 | Y | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.4 | 174.9 | -62.7 | -86.1 | 0 | 0 | 0 | 111.2 | I848 K864 V866 K879 L880 A882 I884 R889 L899 R900 T901 | I848-Y891 HydrophobicContact CD1-CD2 4.16Å; I848-Y891 HydrophobicContact CD1-CE2 3.53Å; K864-Y891 HydrophobicContact CG-CE1 4.12Å; V866-Y891 WeakPolarHBondContact CG1-OH 3.48Å; K879-Y891 VanDerWaalsContact CB-O 3.28Å; K879-Y891 WeakPolarHBondContact CB-O 3.23Å; L880-Y891 PolarHBondContact N-O 2.94Å; L880-Y891 PolarHBondContact O-N 2.85Å; A882-Y891 HydrophobicContact CB-CE2 4.14Å; I884-Y891 HydrophobicContact CD1-CE2 4.3Å; I884-Y891 WeakPolarHBondContact CD1-OH 3.44Å; R889-Y891 HydrophobicContact CB-CE2 4.2Å; R889-Y891 WeakPolarHBondContact CD-OH 3.36Å; R889-Y891 HydrophobicContact CG-CD2 4.28Å; R889-Y891 HydrophobicContact CG-CE1 4.24Å; R889-Y891 HydrophobicContact CG-CE2 3.76Å; Y891-L899 HydrophobicContact CD1-CB 4.05Å; Y891-L899 HydrophobicContact CG-CB 4.33Å; Y891-R900 CarbonylContact C-O 3.59Å; Y891-R900 VanDerWaalsContact CA-O 3.3Å; Y891-R900 WeakPolarHBondContact CA-O 3.41Å; Y891-T901 WeakPolarHBondContact CE1-OG1 3.33Å |
| 892 | E | 96.4 | Very high | 96.3 | Very high | 65 Ų | 65 | 45.1 Ų | 45.1 | 30% | 0.304 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 134.9 | 167.9 | -170.9 | -176.5 | 179.8 | 0 | 0 | 109.8 | R900 | E892-R900 PolarHBondContact N-O 2.95Å; E892-R900 PolarHBondContact O-N 3.36Å; E892-R900 IonicContact OE1-NH2 3.76Å; E892-R900 IonicContact OE2-CZ 3.45Å; E892-R900 IonicContact OE2-NE 3.61Å; E892-R900 PolarHBondContact OE2-NE 3.09Å; E892-R900 IonicContact OE2-NH2 2.66Å; E892-R900 PolarHBondContact OE2-NH2 2.94Å |
| 893 | W | 97.2 | Very high | 96.2 | Very high | 21 Ų | 21 | 45.4 Ų | 45.4 | 8% | 0.08 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 116.2 | 171.7 | -172.5 | -116 | 0 | 0 | 0 | 110.2 | L821 D824 Y828 V850 V861 A862 K897 L899 | L821-W893 HydrophobicContact CB-CB 3.54Å; L821-W893 HydrophobicContact CB-CD2 4.09Å; L821-W893 HydrophobicContact CB-CG 3.47Å; L821-W893 VanDerWaalsContact CB-CG 3.47Å; L821-W893 HydrophobicContact CD1-CB 4.12Å; L821-W893 HydrophobicContact CD1-CD2 3.66Å; L821-W893 HydrophobicContact CD1-CE3 3.68Å; L821-W893 HydrophobicContact CD1-CG 3.89Å; L821-W893 HydrophobicContact CD1-CZ3 4.26Å; L821-W893 HydrophobicContact CG-CB 4.4Å; L821-W893 HydrophobicContact CG-CG 4.36Å; D824-W893 PolarHBondContact OD2-NE1 2.83Å; Y828-W893 HydrophobicContact CE2-CZ2 4.12Å; V850-W893 HydrophobicContact CB-CH2 4.33Å; V850-W893 HydrophobicContact CG1-CH2 3.95Å; V850-W893 HydrophobicContact CG1-CZ3 4.46Å; V850-W893 HydrophobicContact CG2-CH2 4.26Å; V850-W893 HydrophobicContact CG2-CZ3 4.03Å; V861-W893 HydrophobicContact CG1-CH2 4.14Å; V861-W893 HydrophobicContact CG1-CZ2 4.19Å; A862-W893 HydrophobicContact CB-CH2 3.81Å; A862-W893 HydrophobicContact CB-CZ3 3.96Å; W893-K897 HydrophobicContact CH2-CB 3.89Å; W893-K897 WeakPolarHBondContact CH2-O 3.43Å; W893-K897 HydrophobicContact CZ2-CB 3.46Å; W893-K897 VanDerWaalsContact CZ2-CB 3.46Å; W893-K897 HydrophobicContact CZ2-CD 4.33Å; W893-K897 HydrophobicContact CZ2-CG 3.84Å; W893-K897 WeakPolarHBondContact CZ3-O 3.27Å; W893-L899 HydrophobicContact CE3-CD2 3.69Å; W893-L899 HydrophobicContact CE3-CG 3.97Å; W893-L899 HydrophobicContact CZ3-CD2 4.13Å; W893-L899 HydrophobicContact CZ3-CG 3.95Å |
| 894 | T | 95.3 | Very high | 96 | Very high | 17 Ų | 17 | 47.6 Ų | 47.6 | 10% | 0.104 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -83.6 | 164.4 | -175.8 | 59.7 | 0 | 0 | 0 | 0 | 112.2 | E896 K897 E898 R900 | T894-E896 WeakPolarHBondContact CB-OE2 3.5Å; T894-E896 PolarHBondContact O-N 2.83Å; T894-K897 PolarHBondContact O-N 2.94Å; T894-E898 PolarHBondContact N-O 2.59Å; T894-E898 WeakPolarHBondContact OG1-CA 3.41Å; T894-E898 WeakPolarHBondContact OG1-CB 3.39Å; T894-E898 PolarHBondContact OG1-N 2.74Å; T894-E898 PolarHBondContact OG1-O 3.46Å; T894-R900 HydrophobicContact CG2-CB 3.79Å |
| 895 | T | 92.3 | Very high | 95.9 | Very high | 131 Ų | 131 | 48.3 Ų | 48.3 | 80% | 0.804 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -25.5 | 174.5 | 36.7 | 0 | 0 | 0 | 0 | 112.8 | K897 | T895-K897 PolarHBondContact O-N 3.06Š|
| 896 | E | 93.7 | Very high | 95.8 | Very high | 131 Ų | 131 | 54.3 Ų | 54.3 | 61% | 0.612 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 3.4 | 175.4 | -60.4 | 68.2 | -137.5 | 0 | 0 | 112.5 | T894 E898 | T894-E896 WeakPolarHBondContact CB-OE2 3.5Å; T894-E896 PolarHBondContact O-N 2.83Å; E896-E898 HydrophobicContact CB-CG 4.37Å |
| 897 | K | 94.2 | Very high | 95.5 | Very high | 69 Ų | 69 | 55.9 Ų | 55.9 | 30% | 0.3 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 60.7 | 40 | -175.6 | -61.6 | -169.5 | 174 | -158 | 0 | 113.2 | D824 Y828 V861 A862 W893 T894 T895 | D824-K897 IonicContact OD2-NZ 3.92Å; Y828-K897 WeakPolarHBondContact OH-CE 3.47Å; Y828-K897 PolarHBondContact OH-NZ 3.46Å; V861-K897 HydrophobicContact CG1-CB 4.08Å; V861-K897 HydrophobicContact CG1-CD 3.72Å; A862-K897 VanDerWaalsContact CB-O 3.25Å; A862-K897 WeakPolarHBondContact CB-O 3.42Å; W893-K897 HydrophobicContact CH2-CB 3.89Å; W893-K897 WeakPolarHBondContact CH2-O 3.43Å; W893-K897 HydrophobicContact CZ2-CB 3.46Å; W893-K897 VanDerWaalsContact CZ2-CB 3.46Å; W893-K897 HydrophobicContact CZ2-CD 4.33Å; W893-K897 HydrophobicContact CZ2-CG 3.84Å; W893-K897 WeakPolarHBondContact CZ3-O 3.27Å; T894-K897 PolarHBondContact O-N 2.94Å; T895-K897 PolarHBondContact O-N 3.06Å |
| 898 | E | 95.3 | Very high | 95.2 | Very high | 127 Ų | 127 | 55.5 Ų | 55.5 | 59% | 0.593 | 26% | 0.263 | S | S | * | . | trans | -114.2 | 149.3 | 173.4 | -58.5 | -175.8 | 165.5 | 0 | 0 | 111.7 | T894 E896 | T894-E898 PolarHBondContact N-O 2.59Å; T894-E898 WeakPolarHBondContact OG1-CA 3.41Å; T894-E898 WeakPolarHBondContact OG1-CB 3.39Å; T894-E898 PolarHBondContact OG1-N 2.74Å; T894-E898 PolarHBondContact OG1-O 3.46Å; E896-E898 HydrophobicContact CB-CG 4.37Å | ||
| 899 | L | 97 | Very high | 95.1 | Very high | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 108.6 | 171.8 | -69.4 | 168.6 | 0 | 0 | 0 | 110.9 | L821 I848 V850 K864 L880 Y891 W893 | L821-L899 HydrophobicContact CD1-CD2 4.46Å; I848-L899 HydrophobicContact CB-CD1 4.15Å; I848-L899 HydrophobicContact CG2-CD1 3.64Å; V850-L899 HydrophobicContact CG2-CD1 4.07Å; K864-L899 HydrophobicContact CB-CB 4.23Å; K864-L899 HydrophobicContact CB-CD1 4.1Å; K864-L899 WeakPolarHBondContact CE-O 3.42Å; K864-L899 HydrophobicContact CG-CB 4.28Å; K864-L899 PolarHBondContact NZ-O 3.34Å; L880-L899 HydrophobicContact CB-CD2 4.22Å; L880-L899 HydrophobicContact CD2-CD1 3.95Å; L880-L899 HydrophobicContact CD2-CD2 4.04Å; Y891-L899 HydrophobicContact CD1-CB 4.05Å; Y891-L899 HydrophobicContact CG-CB 4.33Å; W893-L899 HydrophobicContact CE3-CD2 3.69Å; W893-L899 HydrophobicContact CE3-CG 3.97Å; W893-L899 HydrophobicContact CZ3-CD2 4.13Å; W893-L899 HydrophobicContact CZ3-CG 3.95Å |
| 900 | R | 96.1 | Very high | 94.9 | Very high | 136 Ų | 136 | 58.1 Ų | 58.1 | 51% | 0.513 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 125.2 | 174.9 | -176.1 | 172.4 | 70.2 | -169.3 | 3.9 | 110.1 | Y891 E892 T894 E902 | Y891-R900 CarbonylContact C-O 3.59Å; Y891-R900 VanDerWaalsContact CA-O 3.3Å; Y891-R900 WeakPolarHBondContact CA-O 3.41Å; E892-R900 PolarHBondContact N-O 2.95Å; E892-R900 PolarHBondContact O-N 3.36Å; E892-R900 IonicContact OE1-NH2 3.76Å; E892-R900 IonicContact OE2-CZ 3.45Å; E892-R900 IonicContact OE2-NE 3.61Å; E892-R900 PolarHBondContact OE2-NE 3.09Å; E892-R900 IonicContact OE2-NH2 2.66Å; E892-R900 PolarHBondContact OE2-NH2 2.94Å; T894-R900 HydrophobicContact CG2-CB 3.79Å; R900-E902 PolarHBondContact O-N 2.86Å |
| 901 | T | 95.7 | Very high | 94.9 | Very high | 49 Ų | 49 | 58.1 Ų | 58.1 | 30% | 0.301 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 127.7 | 174.7 | -56.9 | 0 | 0 | 0 | 0 | 109.9 | R889 Y891 | R889-T901 HydrophobicContact CG-CG2 3.84Å; Y891-T901 WeakPolarHBondContact CE1-OG1 3.33Å |
| 902 | E | 94.6 | Very high | 94.8 | Very high | 55 Ų | 55 | 59.3 Ų | 59.3 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -57 | 178.4 | -174.8 | 177.5 | 150.5 | 0 | 0 | 110.9 | K879 L890 R900 Y935 | K879-E902 WeakPolarHBondContact CD-OE2 3.32Å; K879-E902 WeakPolarHBondContact CE-OE2 3.29Å; K879-E902 IonicContact NZ-OE1 3.31Å; K879-E902 PolarHBondContact NZ-OE1 2.81Å; K879-E902 IonicContact NZ-OE2 3.66Å; K879-E902 PolarHBondContact NZ-OE2 3.31Å; L890-E902 PolarHBondContact O-N 3.44Å; R900-E902 PolarHBondContact O-N 2.86Å; E902-Y935 PolarHBondContact OE1-OH 2.81Å |
| 903 | C | 94.4 | Very high | 94.9 | Very high | 6 Ų | 6 | 59.3 Ų | 59.3 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 165.7 | -177.8 | 72.4 | 0 | 0 | 0 | 0 | 112.7 | L890 G940 F942 | L890-C903 PolarHBondContact N-O 2.83Å; C903-G940 WeakPolarHBondContact CB-O 3.21Å; C903-F942 WeakPolarHBondContact SG-CE2 3.42Å; C903-F942 VanDerWaalsContact SG-CZ 3.58Å |
| 904 | N | 95.1 | Very high | 94.9 | Very high | 46 Ų | 46 | 58.4 Ų | 58.4 | 25% | 0.246 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 141.9 | -175 | -59.8 | -88.3 | 0 | 0 | 0 | 109.8 | V888 R889 Y906 | V888-N904 CarbonylContact O-C 3.57Å; V888-N904 WeakPolarHBondContact O-CA 3.47Å; R889-N904 VanDerWaalsContact CZ-OD1 3.27Å; R889-N904 PolarHBondContact NE-OD1 2.94Å; R889-N904 PolarHBondContact NH2-OD1 2.76Å; N904-Y906 HydrophobicContact CB-CD2 4.35Å; N904-Y906 HydrophobicContact CB-CE2 3.61Å |
| 905 | H | 96.1 | Very high | 95 | Very high | 18 Ų | 18 | 60.2 Ų | 60.2 | 8% | 0.083 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 131.7 | 161.6 | 178.1 | 79 | 0 | 0 | 0 | 108.7 | T887 V888 L933 F942 E944 | T887-H905 WeakPolarHBondContact CA-O 3.23Å; V888-H905 HydrophobicContact CB-CB 4.35Å; V888-H905 PolarHBondContact N-O 3.43Å; V888-H905 PolarHBondContact O-N 2.9Å; H905-L933 HydrophobicContact CB-CD1 3.78Å; H905-F942 HydrophobicContact CB-CB 4.09Å; H905-F942 HydrophobicContact CB-CD2 3.67Å; H905-F942 HydrophobicContact CB-CG 4.27Å; H905-E944 IonicContact CE1-OE2 2.73Å; H905-E944 PolarHBondContact CE1-OE2 3.04Å; H905-E944 IonicContact NE2-OE2 3.2Å |
| 906 | Y | 93.3 | Very high | 95.2 | Very high | 139 Ų | 139 | 56.2 Ų | 56.2 | 55% | 0.545 | 26% | 0.263 | S | S | . | . | trans | -113 | 167.1 | 173.6 | -54.1 | -86.6 | 0 | 0 | 0 | 107.4 | T887 N904 | T887-Y906 HydrophobicContact CG2-CD1 3.65Å; T887-Y906 HydrophobicContact CG2-CE1 3.76Å; N904-Y906 HydrophobicContact CB-CD2 4.35Å; N904-Y906 HydrophobicContact CB-CE2 3.61Å | ||
| 907 | N | 90.2 | Very high | 95.2 | Very high | 82 Ų | 82 | 53.7 Ų | 53.7 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | trans | 104.9 | 18.1 | -178.3 | -163.2 | 30.9 | 0 | 0 | 0 | 115.5 | R928 R947 | N907-R928 PolarHBondContact O-NH1 2.93Å; N907-R928 PolarHBondContact OD1-NH1 3.05Å; N907-R947 PolarHBondContact ND2-NH1 2.89Å | ||
| 908 | N | 92.5 | Very high | 95 | Very high | 13 Ų | 13 | 53.1 Ų | 53.1 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | trans | -96.8 | 153.5 | 166.7 | -46.6 | -67.7 | 0 | 0 | 0 | 109.8 | S886 A911 D925 L931 | S886-N908 VanDerWaalsContact CB-O 3.24Å; S886-N908 WeakPolarHBondContact CB-O 3.13Å; S886-N908 WeakPolarHBondContact O-CB 3.44Å; S886-N908 PolarHBondContact O-ND2 2.86Å; N908-A911 HydrophobicContact CB-CB 4.21Å; N908-D925 WeakPolarHBondContact CA-OD2 3.32Å; N908-D925 VanDerWaalsContact CB-OD2 3.31Å; N908-D925 WeakPolarHBondContact CB-OD2 3.49Å; N908-L931 WeakPolarHBondContact OD1-CD2 3.49Å | ||
| 909 | I | 93.7 | Very high | 94.7 | Very high | 74 Ų | 74 | 50.8 Ų | 50.8 | 38% | 0.379 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -75.1 | -55.2 | 162.5 | -64.8 | 177.6 | 0 | 0 | 0 | 107.4 | S886 D925 M927 R928 | S886-I909 WeakPolarHBondContact CB-O 3.25Å; I909-D925 PolarHBondContact N-OD2 3.08Å; I909-M927 HydrophobicContact CD1-CB 4.06Å; I909-M927 HydrophobicContact CD1-SD 4.27Å; I909-R928 HydrophobicContact CD1-CG 3.73Å; I909-R928 HydrophobicContact CG1-CG 4.07Å |
| 910 | M | 94.9 | Very high | 94.6 | Very high | 33 Ų | 33 | 53 Ų | 53 | 16% | 0.163 | 26% | 0.264 | C | S | . | . | trans | -154.9 | 117.8 | 172.8 | -171.1 | 177.5 | -66.8 | 0 | 0 | 108.6 | Y871 N885 L912 D925 L926 | Y871-M910 HydrophobicContact CD2-CG 4.12Å; Y871-M910 HydrophobicContact CD2-SD 4.43Å; Y871-M910 HydrophobicContact CE1-SD 4.39Å; Y871-M910 HydrophobicContact CE2-CE 4.49Å; Y871-M910 HydrophobicContact CE2-CG 3.67Å; Y871-M910 HydrophobicContact CE2-SD 3.6Å; Y871-M910 VanDerWaalsContact CE2-SD 3.6Å; Y871-M910 VanDerWaalsContact CZ-SD 3.57Å; Y871-M910 PolarHBondContact OH-SD 2.82Å; N885-M910 CarbonylContact O-C 3.6Å; N885-M910 WeakPolarHBondContact O-CA 3.5Å; M910-L912 HydrophobicContact CG-CD2 3.8Å; M910-L912 HydrophobicContact CG-CG 4.35Å; M910-L912 PolarHBondContact O-N 3.38Å; M910-L912 HydrophobicContact SD-CD2 3.72Å; M910-D925 PolarHBondContact N-OD2 2.87Å; M910-D925 CarbonylContact O-C 3.58Å; M910-D925 VanDerWaalsContact O-CA 3.3Å; M910-D925 WeakPolarHBondContact O-CA 3.44Å; M910-L926 HydrophobicContact CB-CB 3.88Å; M910-L926 HydrophobicContact CB-CD2 4.31Å; M910-L926 PolarHBondContact O-N 3.48Å; M910-L926 HydrophobicContact SD-CD2 4.41Å | ||
| 911 | A | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 100.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | S883 N885 V888 N908 V923 | S883-A911 WeakPolarHBondContact CB-O 3.48Å; S883-A911 PolarHBondContact OG-O 2.76Å; N885-A911 PolarHBondContact O-N 2.81Å; V888-A911 HydrophobicContact CG2-CB 3.87Å; N908-A911 HydrophobicContact CB-CB 4.21Å; A911-V923 HydrophobicContact CB-CG1 3.68Å |
| 912 | L | 96.4 | Very high | 94.8 | Very high | 26 Ų | 26 | 44.1 Ų | 44.1 | 14% | 0.136 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -34.5 | -173 | -67.7 | -179.5 | 0 | 0 | 0 | 113.2 | Y871 S872 M910 G924 L926 | Y871-L912 HydrophobicContact CD1-CD2 3.91Å; Y871-L912 HydrophobicContact CD2-CD2 4.16Å; Y871-L912 HydrophobicContact CE1-CD2 4.21Å; Y871-L912 HydrophobicContact CE2-CD2 4.44Å; Y871-L912 HydrophobicContact CG-CD2 3.89Å; S872-L912 WeakPolarHBondContact CB-O 3.44Å; M910-L912 HydrophobicContact CG-CD2 3.8Å; M910-L912 HydrophobicContact CG-CG 4.35Å; M910-L912 PolarHBondContact O-N 3.38Å; M910-L912 HydrophobicContact SD-CD2 3.72Å; L912-G924 PolarHBondContact N-O 2.88Å; L912-L926 HydrophobicContact CD1-CB 3.91Å; L912-L926 HydrophobicContact CD1-CD1 3.81Å; L912-L926 HydrophobicContact CD1-CG 4.47Å; L912-L926 HydrophobicContact CG-CB 4.32Å |
| 913 | Y | 97.4 | Very high | 95 | Very high | 64 Ų | 64 | 41.5 Ų | 41.5 | 25% | 0.251 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138.3 | -172.7 | -47.8 | -77.6 | 0 | 0 | 0 | 111 | V923 G924 M954 S955 V957 | Y913-V923 WeakPolarHBondContact O-CA 3.46Å; Y913-G924 PolarHBondContact N-O 2.87Å; Y913-G924 PolarHBondContact O-N 2.83Å; Y913-M954 HydrophobicContact CD2-CB 4.27Å; Y913-M954 HydrophobicContact CE2-CB 4.07Å; Y913-M954 WeakPolarHBondContact CE2-O 3.42Å; Y913-S955 WeakPolarHBondContact CE1-O 3.41Å; Y913-S955 PolarHBondContact OH-O 3.1Å; Y913-S955 VanDerWaalsContact OH-O 3.05Å; Y913-V957 HydrophobicContact CG-CG2 4.47Å |
| 914 | L | 97.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 134.5 | 174.8 | -66.3 | 176.5 | 0 | 0 | 0 | 110.4 | S872 V874 L881 S883 V888 I921 L922 V923 | S872-L914 PolarHBondContact OG-N 2.82Å; V874-L914 HydrophobicContact CG1-CB 4.37Å; V874-L914 WeakPolarHBondContact CG1-O 3.47Å; V874-L914 HydrophobicContact CG2-CB 4.15Å; L881-L914 HydrophobicContact CD2-CD1 4.09Å; L881-L914 HydrophobicContact CD2-CD2 4.45Å; L881-L914 HydrophobicContact CG-CD1 3.98Å; S883-L914 VanDerWaalsContact N-CD1 3.3Å; V888-L914 HydrophobicContact CG1-CD2 4.1Å; V888-L914 HydrophobicContact CG2-CD2 4.05Å; L914-I921 HydrophobicContact CD2-CG2 4.21Å; L914-L922 WeakPolarHBondContact CA-O 3.31Å; L914-V923 HydrophobicContact CD2-CB 4.17Å; L914-V923 HydrophobicContact CD2-CG1 3.92Å; L914-V923 HydrophobicContact CD2-CG2 3.74Å |
| 915 | K | 97.4 | Very high | 95.2 | Very high | 54 Ų | 54 | 39 Ų | 39 | 24% | 0.235 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 149.7 | 170.4 | -63.7 | -70.8 | -175.9 | 156.3 | 0 | 109.3 | I921 L922 V957 E958 I959 F1007 | K915-I921 WeakPolarHBondContact O-CA 3.43Å; K915-L922 HydrophobicContact CB-CB 4.33Å; K915-L922 PolarHBondContact N-O 3.05Å; K915-L922 PolarHBondContact O-N 2.71Å; K915-V957 VanDerWaalsContact CE-O 3.31Å; K915-V957 WeakPolarHBondContact CE-O 3.5Å; K915-V957 HydrophobicContact CG-CG2 4.03Å; K915-V957 WeakPolarHBondContact CG-O 3.44Å; K915-E958 WeakPolarHBondContact CD-OE1 3.1Å; K915-E958 VanDerWaalsContact CE-OE2 3.28Å; K915-E958 WeakPolarHBondContact CE-OE2 3.45Å; K915-E958 IonicContact NZ-OE2 2.86Å; K915-E958 PolarHBondContact NZ-OE2 2.87Å; K915-I959 HydrophobicContact CB-CD1 4.14Å; K915-I959 HydrophobicContact CB-CG1 4.09Å; K915-F1007 PolarHBondContact NZ-O 3.41Å |
| 916 | T | 96.3 | Very high | 95.1 | Very high | 48 Ų | 48 | 40.5 Ų | 40.5 | 29% | 0.294 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 140.7 | -172.5 | 50 | 0 | 0 | 0 | 0 | 111.5 | V874 F876 L881 F920 I921 | V874-T916 HydrophobicContact CG2-CG2 3.67Å; F876-T916 HydrophobicContact CB-CG2 4.31Å; F876-T916 HydrophobicContact CD2-CG2 3.47Å; F876-T916 VanDerWaalsContact CD2-CG2 3.47Å; F876-T916 HydrophobicContact CE2-CG2 4.1Å; F876-T916 HydrophobicContact CG-CG2 4.17Å; L881-T916 HydrophobicContact CD2-CG2 3.94Å; T916-F920 WeakPolarHBondContact CA-O 3.41Å; T916-I921 HydrophobicContact CG2-CG1 4.08Å |
| 917 | K | 93.5 | Very high | 95.1 | Very high | 77 Ų | 77 | 36.9 Ų | 36.9 | 34% | 0.335 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 117.3 | 172.6 | -171.1 | -177 | -174.9 | -165.7 | 0 | 109.6 | D919 F920 I959 D961 D962 | K917-D919 PolarHBondContact O-N 3.38Å; K917-F920 PolarHBondContact N-O 3.42Å; K917-F920 WeakPolarHBondContact O-CB 3.45Å; K917-F920 PolarHBondContact O-N 2.83Å; K917-I959 HydrophobicContact CB-CD1 3.77Å; K917-I959 HydrophobicContact CB-CG2 4.09Å; K917-I959 HydrophobicContact CD-CG2 3.75Å; K917-D961 VanDerWaalsContact NZ-C 3.25Å; K917-D962 WeakPolarHBondContact CE-OD1 3.34Å; K917-D962 IonicContact NZ-OD1 2.81Å; K917-D962 PolarHBondContact NZ-OD1 2.81Å |
| 918 | G | 90.2 | Very high | 95.3 | Very high | 57 Ų | 57 | 37.3 Ų | 37.3 | 59% | 0.588 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | -127.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | F876 | F876-G918 VanDerWaalsContact CE2-O 3.25Å; F876-G918 WeakPolarHBondContact CE2-O 3.1Å |
| 919 | D | 90.2 | Very high | 95.5 | Very high | 79 Ų | 79 | 36.7 Ų | 36.7 | 42% | 0.422 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 2 | 177.4 | -65.3 | -40.8 | 0 | 0 | 0 | 114.1 | N877 K917 Y935 | N877-D919 PolarHBondContact ND2-OD1 2.8Å; K917-D919 PolarHBondContact O-N 3.38Å; D919-Y935 PolarHBondContact O-N 2.88Å; D919-Y935 VanDerWaalsContact O-N 3.13Å |
| 920 | F | 94.5 | Very high | 95.6 | Very high | 53 Ų | 53 | 33.3 Ų | 33.3 | 23% | 0.232 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 141.5 | 178.7 | -60.6 | -53.1 | 0 | 0 | 0 | 112 | T916 K917 L932 L933 A934 I945 | T916-F920 WeakPolarHBondContact CA-O 3.41Å; K917-F920 PolarHBondContact N-O 3.42Å; K917-F920 WeakPolarHBondContact O-CB 3.45Å; K917-F920 PolarHBondContact O-N 2.83Å; F920-L932 HydrophobicContact CB-CD1 4.04Å; F920-L932 HydrophobicContact CD1-CD2 4.49Å; F920-L932 HydrophobicContact CG-CD1 4.47Å; F920-L933 WeakPolarHBondContact CA-O 3.46Å; F920-A934 HydrophobicContact CD1-CB 4.43Å; F920-I945 HydrophobicContact CD1-CD1 3.59Å; F920-I945 HydrophobicContact CE1-CD1 3.44Å; F920-I945 VanDerWaalsContact CE1-CD1 3.44Å |
| 921 | I | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 116.6 | 175.1 | -59.6 | 162.7 | 0 | 0 | 0 | 107.3 | F876 L881 L914 K915 T916 V923 L932 L933 F942 | F876-I921 HydrophobicContact CD1-CD1 4.36Å; F876-I921 HydrophobicContact CD2-CG1 4.26Å; F876-I921 HydrophobicContact CE1-CD1 3.92Å; F876-I921 HydrophobicContact CE1-CG1 4.3Å; F876-I921 HydrophobicContact CE2-CD1 4.33Å; F876-I921 HydrophobicContact CE2-CG1 3.8Å; F876-I921 HydrophobicContact CZ-CD1 3.89Å; F876-I921 HydrophobicContact CZ-CG1 3.82Å; L881-I921 HydrophobicContact CD1-CD1 4.02Å; L881-I921 HydrophobicContact CD2-CB 4.32Å; L881-I921 HydrophobicContact CD2-CD1 3.83Å; L881-I921 HydrophobicContact CD2-CG1 3.84Å; L881-I921 HydrophobicContact CD2-CG2 3.54Å; L914-I921 HydrophobicContact CD2-CG2 4.21Å; K915-I921 WeakPolarHBondContact O-CA 3.43Å; T916-I921 HydrophobicContact CG2-CG1 4.08Å; I921-V923 HydrophobicContact CG2-CG2 3.95Å; I921-L932 WeakPolarHBondContact O-CA 3.09Å; I921-L933 HydrophobicContact CB-CB 4.18Å; I921-L933 PolarHBondContact N-O 2.84Å; I921-L933 PolarHBondContact O-N 2.63Å; I921-F942 HydrophobicContact CD1-CD1 3.83Å; I921-F942 HydrophobicContact CD1-CE1 3.26Å; I921-F942 HydrophobicContact CD1-CZ 3.93Å |
| 922 | L | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 127.4 | 170.3 | -174.4 | 70.9 | 0 | 0 | 0 | 108.7 | L914 K915 V930 L932 V957 I959 F965 | L914-L922 WeakPolarHBondContact CA-O 3.31Å; K915-L922 HydrophobicContact CB-CB 4.33Å; K915-L922 PolarHBondContact N-O 3.05Å; K915-L922 PolarHBondContact O-N 2.71Å; L922-V930 HydrophobicContact CD1-CB 4.1Å; L922-L932 HydrophobicContact CD1-CD1 4.49Å; L922-V957 HydrophobicContact CD2-CB 4.01Å; L922-V957 HydrophobicContact CD2-CG2 4.24Å; L922-I959 HydrophobicContact CB-CD1 4.01Å; L922-I959 HydrophobicContact CB-CG1 3.9Å; L922-I959 HydrophobicContact CD2-CG1 3.87Å; L922-F965 HydrophobicContact CD1-CB 3.95Å; L922-F965 HydrophobicContact CD1-CD1 3.9Å; L922-F965 HydrophobicContact CD1-CG 3.85Å; L922-F965 HydrophobicContact CD2-CB 4Å; L922-F965 HydrophobicContact CD2-CD1 4.14Å; L922-F965 HydrophobicContact CD2-CG 4.4Å; L922-F965 HydrophobicContact CG-CD1 4.49Å |
| 923 | V | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 125.6 | 177.1 | -168.4 | 0 | 0 | 0 | 0 | 108.9 | V888 A911 Y913 L914 I921 V930 L931 L933 | V888-V923 HydrophobicContact CG2-CG1 3.9Å; V888-V923 HydrophobicContact CG2-CG2 3.98Å; A911-V923 HydrophobicContact CB-CG1 3.68Å; Y913-V923 WeakPolarHBondContact O-CA 3.46Å; L914-V923 HydrophobicContact CD2-CB 4.17Å; L914-V923 HydrophobicContact CD2-CG1 3.92Å; L914-V923 HydrophobicContact CD2-CG2 3.74Å; I921-V923 HydrophobicContact CG2-CG2 3.95Å; V923-V930 WeakPolarHBondContact O-CA 3.36Å; V923-L931 HydrophobicContact CB-CD1 3.87Å; V923-L931 HydrophobicContact CB-CD2 3.94Å; V923-L931 HydrophobicContact CB-CG 3.71Å; V923-L931 HydrophobicContact CG1-CD2 4.29Å; V923-L931 HydrophobicContact CG2-CD1 3.7Å; V923-L931 HydrophobicContact CG2-CG 4.13Å; V923-L931 PolarHBondContact N-O 2.91Å; V923-L931 PolarHBondContact O-N 2.8Å; V923-L933 HydrophobicContact CG2-CD1 4.11Å; V923-L933 HydrophobicContact CG2-CG 4.38Å |
| 924 | G | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 118 | 169 | 0 | 0 | 0 | 0 | 0 | 110.3 | L912 Y913 | L912-G924 PolarHBondContact N-O 2.88Å; Y913-G924 PolarHBondContact N-O 2.87Å; Y913-G924 PolarHBondContact O-N 2.83Å |
| 925 | D | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 149 | 179.2 | -175.2 | -79.8 | 0 | 0 | 0 | 111.3 | N908 I909 M910 M927 R928 S929 M954 | N908-D925 WeakPolarHBondContact CA-OD2 3.32Å; N908-D925 VanDerWaalsContact CB-OD2 3.31Å; N908-D925 WeakPolarHBondContact CB-OD2 3.49Å; I909-D925 PolarHBondContact N-OD2 3.08Å; M910-D925 PolarHBondContact N-OD2 2.87Å; M910-D925 CarbonylContact O-C 3.58Å; M910-D925 VanDerWaalsContact O-CA 3.3Å; M910-D925 WeakPolarHBondContact O-CA 3.44Å; D925-M927 PolarHBondContact O-N 2.99Å; D925-M927 PolarHBondContact OD1-N 2.84Å; D925-R928 HydrophobicContact CB-CB 3.95Å; D925-R928 PolarHBondContact OD1-N 3.37Å; D925-S929 PolarHBondContact N-O 3.08Å; D925-M954 VanDerWaalsContact O-CB 3.31Å; D925-M954 WeakPolarHBondContact O-CB 3.31Å; D925-M954 WeakPolarHBondContact O-CG 3.41Å |
| 926 | L | 94.7 | Very high | 95.2 | Very high | 48 Ų | 48 | 29 Ų | 29 | 25% | 0.251 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -53 | -37.4 | 177.7 | 175.1 | 68.2 | 0 | 0 | 0 | 113.8 | M910 L912 W953 | M910-L926 HydrophobicContact CB-CB 3.88Å; M910-L926 HydrophobicContact CB-CD2 4.31Å; M910-L926 PolarHBondContact O-N 3.48Å; M910-L926 HydrophobicContact SD-CD2 4.41Å; L912-L926 HydrophobicContact CD1-CB 3.91Å; L912-L926 HydrophobicContact CD1-CD1 3.81Å; L912-L926 HydrophobicContact CD1-CG 4.47Å; L912-L926 HydrophobicContact CG-CB 4.32Å; L926-W953 HydrophobicContact CD1-CE3 4.13Å; L926-W953 HydrophobicContact CD1-CZ3 4.3Å; L926-W953 HydrophobicContact CG-CE3 4.42Å; L926-W953 HydrophobicContact CG-CZ3 4.46Å; L926-W953 VanDerWaalsContact O-CA 3.23Å; L926-W953 WeakPolarHBondContact O-CA 3.47Å |
| 927 | M | 93.3 | Very high | 94.8 | Very high | 64 Ų | 64 | 30.6 Ų | 30.6 | 32% | 0.315 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -135.1 | -15.6 | -178.7 | -52.7 | 176.3 | 59.4 | 0 | 0 | 114.3 | I909 D925 P951 N952 W953 | I909-M927 HydrophobicContact CD1-CB 4.06Å; I909-M927 HydrophobicContact CD1-SD 4.27Å; D925-M927 PolarHBondContact O-N 2.99Å; D925-M927 PolarHBondContact OD1-N 2.84Å; M927-P951 CarbonylContact O-C 3.59Å; M927-P951 VanDerWaalsContact O-C 3.25Å; M927-P951 WeakPolarHBondContact O-CA 3.29Å; M927-P951 WeakPolarHBondContact O-CB 3.33Å; M927-N952 CarbonylContact C-O 3.58Å; M927-N952 PolarHBondContact O-N 3.1Å; M927-W953 HydrophobicContact CE-CH2 4.37Å; M927-W953 HydrophobicContact CE-CZ2 3.58Å; M927-W953 HydrophobicContact CG-CD2 4.04Å; M927-W953 HydrophobicContact CG-CE3 4.29Å; M927-W953 HydrophobicContact CG-CH2 4.15Å; M927-W953 HydrophobicContact CG-CZ2 3.89Å; M927-W953 HydrophobicContact CG-CZ3 4.34Å; M927-W953 HydrophobicContact SD-CH2 4.14Å; M927-W953 HydrophobicContact SD-CZ2 3.9Å |
| 928 | R | 93.8 | Very high | 94.6 | Very high | 91 Ų | 91 | 36.2 Ų | 36.2 | 34% | 0.343 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -97.1 | 30.2 | -177.5 | -64.2 | -177.4 | 168 | -172.2 | -6.3 | 113.1 | N907 I909 D925 V930 | N907-R928 PolarHBondContact O-NH1 2.93Å; N907-R928 PolarHBondContact OD1-NH1 3.05Å; I909-R928 HydrophobicContact CD1-CG 3.73Å; I909-R928 HydrophobicContact CG1-CG 4.07Å; D925-R928 HydrophobicContact CB-CB 3.95Å; D925-R928 PolarHBondContact OD1-N 3.37Å; R928-V930 PolarHBondContact O-N 3Å |
| 929 | S | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | 53.2 | -127.9 | 178.6 | -171.1 | 0 | 0 | 0 | 0 | 112 | D925 D948 N950 N952 M954 F975 | D925-S929 PolarHBondContact N-O 3.08Å; S929-D948 WeakPolarHBondContact CB-OD2 3.26Å; S929-D948 PolarHBondContact OG-OD2 3.31Å; S929-N950 WeakPolarHBondContact CB-O 3.34Å; S929-N952 PolarHBondContact N-O 3.38Å; S929-M954 WeakPolarHBondContact O-CG 3.5Å; S929-F975 WeakPolarHBondContact OG-CZ 3.34Å | ||
| 930 | V | 96.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 146.2 | -177.5 | -61.4 | 0 | 0 | 0 | 0 | 112.7 | L922 V923 R928 D948 M954 V957 F975 C977 L992 | L922-V930 HydrophobicContact CD1-CB 4.1Å; V923-V930 WeakPolarHBondContact O-CA 3.36Å; R928-V930 PolarHBondContact O-N 3Å; V930-D948 HydrophobicContact CG2-CB 3.95Å; V930-D948 PolarHBondContact O-N 2.91Å; V930-M954 HydrophobicContact CG1-CE 3.87Å; V930-M954 HydrophobicContact CG1-SD 4.5Å; V930-V957 HydrophobicContact CG1-CG1 3.69Å; V930-F975 HydrophobicContact CG1-CZ 4.47Å; V930-F975 HydrophobicContact CG2-CE2 4.46Å; V930-C977 HydrophobicContact CG2-CB 4.19Å; V930-L992 HydrophobicContact CG2-CD1 3.88Å |
| 931 | L | 96.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 150.7 | 170 | 67.6 | 107.2 | 0 | 0 | 0 | 110.7 | N908 V923 L933 R947 | N908-L931 WeakPolarHBondContact OD1-CD2 3.49Å; V923-L931 HydrophobicContact CB-CD1 3.87Å; V923-L931 HydrophobicContact CB-CD2 3.94Å; V923-L931 HydrophobicContact CB-CG 3.71Å; V923-L931 HydrophobicContact CG1-CD2 4.29Å; V923-L931 HydrophobicContact CG2-CD1 3.7Å; V923-L931 HydrophobicContact CG2-CG 4.13Å; V923-L931 PolarHBondContact N-O 2.91Å; V923-L931 PolarHBondContact O-N 2.8Å; L931-L933 HydrophobicContact CD1-CD1 4.15Å; L931-L933 HydrophobicContact CD1-CD2 3.46Å; L931-L933 VanDerWaalsContact CD1-CD2 3.46Å; L931-L933 HydrophobicContact CD1-CG 3.61Å; L931-R947 HydrophobicContact CB-CB 4.03Å |
| 932 | L | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119.6 | -177.3 | -172.4 | 71.4 | 0 | 0 | 0 | 109.6 | F920 I921 L922 I945 A946 F965 K979 | F920-L932 HydrophobicContact CB-CD1 4.04Å; F920-L932 HydrophobicContact CD1-CD2 4.49Å; F920-L932 HydrophobicContact CG-CD1 4.47Å; I921-L932 WeakPolarHBondContact O-CA 3.09Å; L922-L932 HydrophobicContact CD1-CD1 4.49Å; L932-I945 HydrophobicContact CD2-CB 4.37Å; L932-I945 HydrophobicContact CD2-CD1 4.33Å; L932-I945 HydrophobicContact CD2-CG2 4.42Å; L932-I945 HydrophobicContact CG-CD1 4.44Å; L932-I945 PolarHBondContact O-N 2.79Å; L932-A946 PolarHBondContact N-O 2.86Å; L932-A946 PolarHBondContact O-N 2.88Å; L932-F965 HydrophobicContact CD1-CE1 3.74Å; L932-F965 HydrophobicContact CD1-CE2 4.33Å; L932-F965 HydrophobicContact CD1-CZ 3.62Å; L932-F965 HydrophobicContact CD2-CE2 3.95Å; L932-F965 HydrophobicContact CD2-CZ 3.62Å; L932-F965 HydrophobicContact CG-CZ 4.22Å; L932-K979 HydrophobicContact CD2-CD 3.85Å |
| 933 | L | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 146.8 | 172.5 | -48 | 176 | 0 | 0 | 0 | 110.1 | V888 H905 F920 I921 V923 L931 F942 E943 E944 | V888-L933 HydrophobicContact CG1-CD1 4.47Å; H905-L933 HydrophobicContact CB-CD1 3.78Å; F920-L933 WeakPolarHBondContact CA-O 3.46Å; I921-L933 HydrophobicContact CB-CB 4.18Å; I921-L933 PolarHBondContact N-O 2.84Å; I921-L933 PolarHBondContact O-N 2.63Å; V923-L933 HydrophobicContact CG2-CD1 4.11Å; V923-L933 HydrophobicContact CG2-CG 4.38Å; L931-L933 HydrophobicContact CD1-CD1 4.15Å; L931-L933 HydrophobicContact CD1-CD2 3.46Å; L931-L933 VanDerWaalsContact CD1-CD2 3.46Å; L931-L933 HydrophobicContact CD1-CG 3.61Å; L933-F942 HydrophobicContact CD1-CB 4.37Å; L933-F942 HydrophobicContact CD1-CG 4.4Å; L933-E943 CarbonylContact C-O 3.56Å; L933-E943 VanDerWaalsContact CA-O 3.27Å; L933-E943 WeakPolarHBondContact CA-O 3.28Å; L933-E944 HydrophobicContact CD2-CB 3.96Å; L933-E944 HydrophobicContact CD2-CG 4.23Å |
| 934 | A | 94.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 46 Ų | 46 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 136 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | F920 F942 E943 I945 | F920-A934 HydrophobicContact CD1-CB 4.43Å; A934-F942 WeakPolarHBondContact O-CA 3.4Å; A934-E943 PolarHBondContact N-O 2.93Å; A934-E943 PolarHBondContact O-N 2.81Å; A934-I945 HydrophobicContact CB-CD1 3.22Å; A934-I945 HydrophobicContact CB-CG1 3.77Å |
| 935 | Y | 94.7 | Very high | 93.7 | Very high | 9 Ų | 9 | 48 Ų | 48 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 133 | 166.9 | 175 | -120.7 | 0 | 0 | 0 | 110.2 | F876 K879 L890 E902 D919 P937 N941 F942 | F876-Y935 VanDerWaalsContact CE1-CB 3.48Å; F876-Y935 AromaticContact CE1-CD1 3.72Å; F876-Y935 HydrophobicContact CE1-CD1 3.72Å; F876-Y935 AromaticContact CE1-CG 3.73Å; F876-Y935 HydrophobicContact CE1-CG 3.73Å; F876-Y935 HydrophobicContact CZ-CD1 4.32Å; F876-Y935 HydrophobicContact CZ-CG 4.33Å; K879-Y935 PolarHBondContact NZ-OH 2.62Å; L890-Y935 HydrophobicContact CD2-CD2 3.93Å; L890-Y935 HydrophobicContact CD2-CE1 4.4Å; L890-Y935 HydrophobicContact CD2-CE2 3.56Å; L890-Y935 HydrophobicContact CD2-CG 4.5Å; E902-Y935 PolarHBondContact OE1-OH 2.81Å; D919-Y935 PolarHBondContact O-N 2.88Å; D919-Y935 VanDerWaalsContact O-N 3.13Å; Y935-P937 HydrophobicContact CD1-CG 3.85Å; Y935-P937 HydrophobicContact CE1-CB 3.88Å; Y935-P937 HydrophobicContact CE1-CG 3.62Å; Y935-P937 WeakPolarHBondContact O-CD 3.22Å; Y935-N941 WeakPolarHBondContact CD2-O 3.2Å; Y935-F942 HydrophobicContact CD2-CD1 4.08Å; Y935-F942 AromaticContact CD2-CE1 3.93Å; Y935-F942 HydrophobicContact CD2-CE1 3.93Å; Y935-F942 HydrophobicContact CG-CE1 4.35Å |
| 936 | K | 93.1 | Very high | 93.6 | Very high | 75 Ų | 75 | 48 Ų | 48 | 33% | 0.326 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 97.8 | 173.5 | -60.2 | -59.8 | -171.5 | -171.6 | 0 | 109.7 | M938 E939 G940 N941 E943 | K936-M938 PolarHBondContact O-N 2.83Å; K936-M938 VanDerWaalsContact O-N 3.14Å; K936-E939 HydrophobicContact CB-CB 4.05Å; K936-E939 HydrophobicContact CB-CG 4.34Å; K936-E939 PolarHBondContact O-N 3.25Å; K936-E939 VanDerWaalsContact O-N 3.09Å; K936-G940 PolarHBondContact O-N 2.87Å; K936-N941 WeakPolarHBondContact CB-OD1 3.44Å; K936-N941 PolarHBondContact N-O 2.96Å; K936-N941 VanDerWaalsContact N-O 3.09Å; K936-E943 WeakPolarHBondContact CE-OE2 3.42Å; K936-E943 HydrophobicContact CG-CB 4.47Å; K936-E943 IonicContact NZ-OE2 2.74Å; K936-E943 PolarHBondContact NZ-OE2 3.03Å |
| 937 | P | 87.3 | Confident | 93.7 | Very high | 81 Ų | 81 | 46.7 Ų | 46.7 | 53% | 0.526 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -32.4 | -174.8 | -23.7 | 30.4 | 0 | 0 | 0 | 114.4 | Y935 | Y935-P937 HydrophobicContact CD1-CG 3.85Å; Y935-P937 HydrophobicContact CE1-CB 3.88Å; Y935-P937 HydrophobicContact CE1-CG 3.62Å; Y935-P937 WeakPolarHBondContact O-CD 3.22Å |
| 938 | M | 88.8 | Confident | 93.8 | Very high | 195 Ų | 195 | 43.7 Ų | 43.7 | 96% | 0.961 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -31 | 179.8 | -69.2 | -170.7 | 168 | 0 | 0 | 113.3 | K936 | K936-M938 PolarHBondContact O-N 2.83Å; K936-M938 VanDerWaalsContact O-N 3.14Å |
| 939 | E | 88.2 | Confident | 93.7 | Very high | 137 Ų | 137 | 45.7 Ų | 45.7 | 64% | 0.64 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -19.9 | -179.2 | -64.3 | -179 | -156.6 | 0 | 0 | 112 | K936 N941 | K936-E939 HydrophobicContact CB-CB 4.05Å; K936-E939 HydrophobicContact CB-CG 4.34Å; K936-E939 PolarHBondContact O-N 3.25Å; K936-E939 VanDerWaalsContact O-N 3.09Å; E939-N941 VanDerWaalsContact C-N 3.29Å; E939-N941 WeakPolarHBondContact CB-OD1 3.2Å; E939-N941 PolarHBondContact O-N 3.42Å; E939-N941 PolarHBondContact OE2-ND2 3.18Å; E939-N941 PolarHBondContact OE2-OD1 3.42Å |
| 940 | G | 88 | Confident | 93.6 | Very high | 28 Ų | 28 | 47.6 Ų | 47.6 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 35.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112 | C903 K936 | C903-G940 WeakPolarHBondContact CB-O 3.21Å; K936-G940 PolarHBondContact O-N 2.87Å |
| 941 | N | 93.4 | Very high | 93.3 | Very high | 60 Ų | 60 | 49.7 Ų | 49.7 | 32% | 0.321 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 169.8 | -179.7 | 67.1 | 6.4 | 0 | 0 | 0 | 111.3 | Y935 K936 E939 | Y935-N941 WeakPolarHBondContact CD2-O 3.2Å; K936-N941 WeakPolarHBondContact CB-OD1 3.44Å; K936-N941 PolarHBondContact N-O 2.96Å; K936-N941 VanDerWaalsContact N-O 3.09Å; E939-N941 VanDerWaalsContact C-N 3.29Å; E939-N941 WeakPolarHBondContact CB-OD1 3.2Å; E939-N941 PolarHBondContact O-N 3.42Å; E939-N941 PolarHBondContact OE2-ND2 3.18Å; E939-N941 PolarHBondContact OE2-OD1 3.42Å |
| 942 | F | 95.1 | Very high | 93.2 | Very high | 21 Ų | 21 | 50 Ų | 50 | 9% | 0.092 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 134.1 | 167.6 | -65 | -55.5 | 0 | 0 | 0 | 109.3 | L881 V888 L890 C903 H905 I921 L933 A934 Y935 | L881-F942 HydrophobicContact CD1-CE1 4.3Å; L881-F942 HydrophobicContact CD1-CE2 4.35Å; L881-F942 HydrophobicContact CD1-CZ 3.55Å; V888-F942 HydrophobicContact CG1-CE2 4.4Å; L890-F942 HydrophobicContact CB-CE2 4.32Å; L890-F942 HydrophobicContact CB-CZ 3.77Å; L890-F942 HydrophobicContact CD2-CZ 4.41Å; C903-F942 WeakPolarHBondContact SG-CE2 3.42Å; C903-F942 VanDerWaalsContact SG-CZ 3.58Å; H905-F942 HydrophobicContact CB-CB 4.09Å; H905-F942 HydrophobicContact CB-CD2 3.67Å; H905-F942 HydrophobicContact CB-CG 4.27Å; I921-F942 HydrophobicContact CD1-CD1 3.83Å; I921-F942 HydrophobicContact CD1-CE1 3.26Å; I921-F942 HydrophobicContact CD1-CZ 3.93Å; L933-F942 HydrophobicContact CD1-CB 4.37Å; L933-F942 HydrophobicContact CD1-CG 4.4Å; A934-F942 WeakPolarHBondContact O-CA 3.4Å; Y935-F942 HydrophobicContact CD2-CD1 4.08Å; Y935-F942 AromaticContact CD2-CE1 3.93Å; Y935-F942 HydrophobicContact CD2-CE1 3.93Å; Y935-F942 HydrophobicContact CG-CE1 4.35Å |
| 943 | E | 94.2 | Very high | 93.1 | Very high | 92 Ų | 92 | 55.4 Ų | 55.4 | 43% | 0.43 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125.5 | 169.4 | -177.8 | -178.3 | -151.9 | 0 | 0 | 108.6 | L933 A934 K936 I945 | L933-E943 CarbonylContact C-O 3.56Å; L933-E943 VanDerWaalsContact CA-O 3.27Å; L933-E943 WeakPolarHBondContact CA-O 3.28Å; A934-E943 PolarHBondContact N-O 2.93Å; A934-E943 PolarHBondContact O-N 2.81Å; K936-E943 WeakPolarHBondContact CE-OE2 3.42Å; K936-E943 HydrophobicContact CG-CB 4.47Å; K936-E943 IonicContact NZ-OE2 2.74Å; K936-E943 PolarHBondContact NZ-OE2 3.03Å; E943-I945 PolarHBondContact O-N 2.82Å |
| 944 | E | 94.6 | Very high | 93.1 | Very high | 58 Ų | 58 | 55.9 Ų | 55.9 | 27% | 0.271 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 108.5 | 169.7 | -174.3 | 175 | 155.1 | 0 | 0 | 108 | H905 L933 R947 | H905-E944 IonicContact CE1-OE2 2.73Å; H905-E944 PolarHBondContact CE1-OE2 3.04Å; H905-E944 IonicContact NE2-OE2 3.2Å; L933-E944 HydrophobicContact CD2-CB 3.96Å; L933-E944 HydrophobicContact CD2-CG 4.23Å; E944-R947 WeakPolarHBondContact OE1-CD 3.19Å; E944-R947 IonicContact OE1-CZ 3.42Å; E944-R947 IonicContact OE1-NE 2.81Å; E944-R947 IonicContact OE1-NH1 3.23Å; E944-R947 PolarHBondContact OE1-NH1 2.96Å |
| 945 | I | 93.8 | Very high | 93.2 | Very high | 40 Ų | 40 | 55.8 Ų | 55.8 | 21% | 0.205 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | -50.3 | -177.5 | -62.1 | 168.8 | 0 | 0 | 0 | 110 | F920 L932 A934 E943 K979 Q990 | F920-I945 HydrophobicContact CD1-CD1 3.59Å; F920-I945 HydrophobicContact CE1-CD1 3.44Å; F920-I945 VanDerWaalsContact CE1-CD1 3.44Å; L932-I945 HydrophobicContact CD2-CB 4.37Å; L932-I945 HydrophobicContact CD2-CD1 4.33Å; L932-I945 HydrophobicContact CD2-CG2 4.42Å; L932-I945 HydrophobicContact CG-CD1 4.44Å; L932-I945 PolarHBondContact O-N 2.79Å; A934-I945 HydrophobicContact CB-CD1 3.22Å; A934-I945 HydrophobicContact CB-CG1 3.77Å; E943-I945 PolarHBondContact O-N 2.82Å; I945-K979 HydrophobicContact CG2-CD 4.46Å; I945-Q990 WeakPolarHBondContact O-CA 3.11Å |
| 946 | A | 95.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 158.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L932 R989 Q990 L992 | L932-A946 PolarHBondContact N-O 2.86Å; L932-A946 PolarHBondContact O-N 2.88Å; A946-R989 WeakPolarHBondContact CB-O 3.27Å; A946-Q990 CarbonylContact C-O 3.58Å; A946-Q990 VanDerWaalsContact CA-O 3.23Å; A946-Q990 WeakPolarHBondContact CA-O 3.41Å; A946-L992 HydrophobicContact CB-CD2 3.67Å; A946-L992 HydrophobicContact CB-CG 3.74Å |
| 947 | R | 95.7 | Very high | 93.6 | Very high | 21 Ų | 21 | 52.1 Ų | 52.1 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 155.9 | 173 | 74.2 | -172.4 | -60.1 | 141.2 | 9.1 | 112.7 | N907 L931 E944 F949 Q990 L992 | N907-R947 PolarHBondContact ND2-NH1 2.89Å; L931-R947 HydrophobicContact CB-CB 4.03Å; E944-R947 WeakPolarHBondContact OE1-CD 3.19Å; E944-R947 IonicContact OE1-CZ 3.42Å; E944-R947 IonicContact OE1-NE 2.81Å; E944-R947 IonicContact OE1-NH1 3.23Å; E944-R947 PolarHBondContact OE1-NH1 2.96Å; R947-F949 HydrophobicContact CG-CD1 4.02Å; R947-F949 HydrophobicContact CG-CD2 4.15Å; R947-F949 HydrophobicContact CG-CE1 3.7Å; R947-F949 HydrophobicContact CG-CE2 3.79Å; R947-F949 HydrophobicContact CG-CG 4.25Å; R947-F949 HydrophobicContact CG-CZ 3.54Å; R947-Q990 PolarHBondContact N-O 3.3Å; R947-L992 PolarHBondContact O-N 3.38Å |
| 948 | D | 95.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | trans | -82 | 134.8 | 160.1 | -178.9 | 17.4 | 0 | 0 | 0 | 109.1 | S929 V930 N950 N952 L992 | S929-D948 WeakPolarHBondContact CB-OD2 3.26Å; S929-D948 PolarHBondContact OG-OD2 3.31Å; V930-D948 HydrophobicContact CG2-CB 3.95Å; V930-D948 PolarHBondContact O-N 2.91Å; D948-N950 WeakPolarHBondContact OD1-CB 3.49Å; D948-N950 PolarHBondContact OD1-N 3.21Å; D948-N950 PolarHBondContact OD1-ND2 3.03Å; D948-N952 PolarHBondContact OD2-ND2 3.38Å; D948-L992 HydrophobicContact CB-CB 4.43Å | ||
| 949 | F | 92.5 | Very high | 94.4 | Very high | 132 Ų | 132 | 39.8 Ų | 39.8 | 58% | 0.579 | 20% | 0.196 | S | C | * | . | trans | -97.9 | -4.7 | 179.8 | -68.2 | -80.4 | 0 | 0 | 0 | 112.5 | R947 H991 | R947-F949 HydrophobicContact CG-CD1 4.02Å; R947-F949 HydrophobicContact CG-CD2 4.15Å; R947-F949 HydrophobicContact CG-CE1 3.7Å; R947-F949 HydrophobicContact CG-CE2 3.79Å; R947-F949 HydrophobicContact CG-CG 4.25Å; R947-F949 HydrophobicContact CG-CZ 3.54Å; F949-H991 AromaticContact CD2-ND1 3.4Å; F949-H991 WeakPolarHBondContact CD2-ND1 3.42Å; F949-H991 HydrophobicContact CE2-CB 4.23Å; F949-H991 AromaticContact CE2-ND1 3.86Å | ||
| 950 | N | 92.6 | Very high | 94.7 | Very high | 41 Ų | 41 | 34.5 Ų | 34.5 | 22% | 0.219 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -70.9 | 138.3 | 172.1 | -66.8 | -70.8 | 0 | 0 | 0 | 110.4 | S929 D948 N952 E994 | S929-N950 WeakPolarHBondContact CB-O 3.34Å; D948-N950 WeakPolarHBondContact OD1-CB 3.49Å; D948-N950 PolarHBondContact OD1-N 3.21Å; D948-N950 PolarHBondContact OD1-ND2 3.03Å; N950-N952 VanDerWaalsContact C-N 3.3Å; N950-N952 PolarHBondContact O-N 3.46Å; N950-E994 PolarHBondContact ND2-OE1 3.44Å; N950-E994 VanDerWaalsContact ND2-OE1 3.13Å; N950-E994 PolarHBondContact ND2-OE2 3.22Å |
| 951 | P | 92 | Very high | 94.9 | Very high | 45 Ų | 45 | 35.4 Ų | 35.4 | 29% | 0.292 | 17% | 0.17 | S | C | . | . | trans | -86.4 | 74.8 | 176.8 | 32.5 | -30.3 | 0 | 0 | 0 | 110.9 | M927 R1080 | M927-P951 CarbonylContact O-C 3.59Å; M927-P951 VanDerWaalsContact O-C 3.25Å; M927-P951 WeakPolarHBondContact O-CA 3.29Å; M927-P951 WeakPolarHBondContact O-CB 3.33Å; P951-R1080 VanDerWaalsContact CG-CZ 3.45Å | ||
| 952 | N | 92.9 | Very high | 94.8 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.048 | 18% | 0.177 | C | C | . | . | trans | -88.9 | 133 | 175.2 | -61 | -27.8 | 0 | 0 | 0 | 109.3 | M927 S929 D948 N950 M954 E969 F975 | M927-N952 CarbonylContact C-O 3.58Å; M927-N952 PolarHBondContact O-N 3.1Å; S929-N952 PolarHBondContact N-O 3.38Å; D948-N952 PolarHBondContact OD2-ND2 3.38Å; N950-N952 VanDerWaalsContact C-N 3.3Å; N950-N952 PolarHBondContact O-N 3.46Å; N952-M954 HydrophobicContact CB-SD 3.98Å; N952-M954 PolarHBondContact O-N 2.85Å; N952-E969 HydrophobicContact CB-CB 4.33Å; N952-F975 HydrophobicContact CB-CE1 4.39Å; N952-F975 HydrophobicContact CB-CZ 4.43Å | ||
| 953 | W | 94.6 | Very high | 94.7 | Very high | 113 Ų | 113 | 38.6 Ų | 38.6 | 43% | 0.428 | 19% | 0.188 | S | C | . | . | trans | -87.4 | 97.8 | -179.9 | -74 | 64.7 | 0 | 0 | 0 | 109.8 | L926 M927 E969 N970 | L926-W953 HydrophobicContact CD1-CE3 4.13Å; L926-W953 HydrophobicContact CD1-CZ3 4.3Å; L926-W953 HydrophobicContact CG-CE3 4.42Å; L926-W953 HydrophobicContact CG-CZ3 4.46Å; L926-W953 VanDerWaalsContact O-CA 3.23Å; L926-W953 WeakPolarHBondContact O-CA 3.47Å; M927-W953 HydrophobicContact CE-CH2 4.37Å; M927-W953 HydrophobicContact CE-CZ2 3.58Å; M927-W953 HydrophobicContact CG-CD2 4.04Å; M927-W953 HydrophobicContact CG-CE3 4.29Å; M927-W953 HydrophobicContact CG-CH2 4.15Å; M927-W953 HydrophobicContact CG-CZ2 3.89Å; M927-W953 HydrophobicContact CG-CZ3 4.34Å; M927-W953 HydrophobicContact SD-CH2 4.14Å; M927-W953 HydrophobicContact SD-CZ2 3.9Å; W953-E969 CarbonylContact O-C 3.59Å; W953-E969 WeakPolarHBondContact O-CA 3.31Å; W953-E969 VanDerWaalsContact O-CB 3.3Å; W953-E969 WeakPolarHBondContact O-CB 3.4Å; W953-N970 HydrophobicContact CB-CB 4.18Å; W953-N970 VanDerWaalsContact CB-CG 3.49Å; W953-N970 WeakPolarHBondContact CB-ND2 3.3Å; W953-N970 PolarHBondContact O-N 2.98Å | ||
| 954 | M | 97.2 | Very high | 94.7 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 4% | 0.044 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 136.4 | -166.1 | -59.8 | -51.1 | -65.2 | 0 | 0 | 112.9 | Y913 D925 S929 V930 N952 A956 V957 A968 F975 | Y913-M954 HydrophobicContact CD2-CB 4.27Å; Y913-M954 HydrophobicContact CE2-CB 4.07Å; Y913-M954 WeakPolarHBondContact CE2-O 3.42Å; D925-M954 VanDerWaalsContact O-CB 3.31Å; D925-M954 WeakPolarHBondContact O-CB 3.31Å; D925-M954 WeakPolarHBondContact O-CG 3.41Å; S929-M954 WeakPolarHBondContact O-CG 3.5Å; V930-M954 HydrophobicContact CG1-CE 3.87Å; V930-M954 HydrophobicContact CG1-SD 4.5Å; N952-M954 HydrophobicContact CB-SD 3.98Å; N952-M954 PolarHBondContact O-N 2.85Å; M954-A956 WeakPolarHBondContact CE-O 3.32Å; M954-V957 HydrophobicContact CE-CG1 3.55Å; M954-A968 VanDerWaalsContact CE-O 3.29Å; M954-A968 WeakPolarHBondContact CE-O 3.12Å; M954-F975 HydrophobicContact CE-CE1 3.69Å; M954-F975 HydrophobicContact CE-CZ 3.53Å; M954-F975 HydrophobicContact SD-CE1 3.83Å; M954-F975 HydrophobicContact SD-CZ 3.63Å |
| 955 | S | 97.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | -23.6 | 172.8 | 61.6 | 0 | 0 | 0 | 0 | 112.8 | Y913 A968 E969 V1004 N1005 | Y913-S955 WeakPolarHBondContact CE1-O 3.41Å; Y913-S955 PolarHBondContact OH-O 3.1Å; Y913-S955 VanDerWaalsContact OH-O 3.05Å; S955-A968 PolarHBondContact N-O 2.87Å; S955-A968 VanDerWaalsContact OG-C 3.24Å; S955-A968 WeakPolarHBondContact OG-CB 3.34Å; S955-A968 PolarHBondContact OG-O 2.81Å; S955-E969 PolarHBondContact OG-N 2.84Å; S955-V1004 WeakPolarHBondContact CB-O 3.49Å; S955-V1004 PolarHBondContact OG-O 2.81Å; S955-N1005 WeakPolarHBondContact O-CA 3.48Å |
| 956 | A | 97.9 | Very high | 95 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.033 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 157.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111 | M954 A968 V1004 F1007 | M954-A956 WeakPolarHBondContact CE-O 3.32Å; A956-A968 HydrophobicContact CB-CB 4.31Å; A956-A968 PolarHBondContact N-O 3.12Å; A956-A968 PolarHBondContact O-N 2.84Å; A956-V1004 HydrophobicContact CB-CG1 4.32Å; A956-F1007 HydrophobicContact CB-CD2 3.41Å; A956-F1007 VanDerWaalsContact CB-CD2 3.41Å; A956-F1007 HydrophobicContact CB-CE2 3.45Å; A956-F1007 VanDerWaalsContact CB-CE2 3.45Å; A956-F1007 HydrophobicContact CB-CG 4.36Å; A956-F1007 HydrophobicContact CB-CZ 4.42Å |
| 957 | V | 98.2 | Very high | 95.1 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.024 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 150.6 | 173.8 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | Y913 K915 L922 V930 M954 L966 | Y913-V957 HydrophobicContact CG-CG2 4.47Å; K915-V957 VanDerWaalsContact CE-O 3.31Å; K915-V957 WeakPolarHBondContact CE-O 3.5Å; K915-V957 HydrophobicContact CG-CG2 4.03Å; K915-V957 WeakPolarHBondContact CG-O 3.44Å; L922-V957 HydrophobicContact CD2-CB 4.01Å; L922-V957 HydrophobicContact CD2-CG2 4.24Å; V930-V957 HydrophobicContact CG1-CG1 3.69Å; M954-V957 HydrophobicContact CE-CG1 3.55Å; V957-L966 CarbonylContact C-O 3.56Å; V957-L966 WeakPolarHBondContact CA-O 3.47Å |
| 958 | E | 97.4 | Very high | 95.3 | Very high | 11 Ų | 11 | 29.2 Ų | 29.2 | 5% | 0.051 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 152.4 | 172.2 | -167.2 | 52.2 | -85 | 0 | 0 | 112.2 | K915 L966 F1007 H1009 V1028 | K915-E958 WeakPolarHBondContact CD-OE1 3.1Å; K915-E958 VanDerWaalsContact CE-OE2 3.28Å; K915-E958 WeakPolarHBondContact CE-OE2 3.45Å; K915-E958 IonicContact NZ-OE2 2.86Å; K915-E958 PolarHBondContact NZ-OE2 2.87Å; E958-L966 PolarHBondContact N-O 2.89Å; E958-L966 PolarHBondContact O-N 3.31Å; E958-F1007 HydrophobicContact CB-CB 3.69Å; E958-F1007 HydrophobicContact CB-CD2 3.95Å; E958-F1007 HydrophobicContact CB-CG 3.89Å; E958-F1007 HydrophobicContact CG-CB 4.11Å; E958-H1009 IonicContact OE1-CD2 3.72Å; E958-H1009 IonicContact OE1-NE2 2.69Å; E958-H1009 IonicContact OE2-CD2 2.81Å; E958-V1028 HydrophobicContact CB-CG1 4.22Å; E958-V1028 HydrophobicContact CG-CG1 3.83Å; E958-V1028 HydrophobicContact CG-CG2 3.97Å |
| 959 | I | 96.5 | Very high | 95.3 | Very high | 6 Ų | 6 | 29.3 Ų | 29.3 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 118.8 | 173.6 | -58 | 175 | 0 | 0 | 0 | 108.4 | K915 K917 L922 D961 F965 H1009 | K915-I959 HydrophobicContact CB-CD1 4.14Å; K915-I959 HydrophobicContact CB-CG1 4.09Å; K917-I959 HydrophobicContact CB-CD1 3.77Å; K917-I959 HydrophobicContact CB-CG2 4.09Å; K917-I959 HydrophobicContact CD-CG2 3.75Å; L922-I959 HydrophobicContact CB-CD1 4.01Å; L922-I959 HydrophobicContact CB-CG1 3.9Å; L922-I959 HydrophobicContact CD2-CG1 3.87Å; I959-D961 WeakPolarHBondContact CG2-O 3.4Å; I959-F965 HydrophobicContact CB-CD1 4.48Å; I959-F965 HydrophobicContact CG1-CD1 4.1Å; I959-F965 HydrophobicContact CG1-CE1 4.45Å; I959-F965 HydrophobicContact CG2-CD1 4.19Å; I959-F965 HydrophobicContact CG2-CE1 4.2Å; I959-H1009 PolarHBondContact O-CE1 2.86Å; I959-H1009 VanDerWaalsContact O-CE1 3.28Å; I959-H1009 PolarHBondContact O-NE2 3.36Å |
| 960 | L | 94.3 | Very high | 95.4 | Very high | 26 Ų | 26 | 26.5 Ų | 26.5 | 14% | 0.136 | 14% | 0.136 | C | C | . | . | trans | -80.9 | -51.2 | 176.6 | -62.9 | 178 | 0 | 0 | 0 | 110.7 | N964 L966 V976 V1028 V1040 | L960-N964 HydrophobicContact CB-CB 4.25Å; L960-N964 WeakPolarHBondContact CB-O 3.38Å; L960-N964 HydrophobicContact CD1-CB 4.42Å; L960-N964 PolarHBondContact N-O 3.22Å; L960-L966 HydrophobicContact CD1-CB 4.15Å; L960-L966 HydrophobicContact CD2-CB 4.02Å; L960-L966 HydrophobicContact CD2-CD2 4.16Å; L960-L966 HydrophobicContact CG-CB 3.91Å; L960-V976 HydrophobicContact CD1-CG1 4.29Å; L960-V976 HydrophobicContact CD1-CG2 4.05Å; L960-V1028 HydrophobicContact CD2-CB 4.42Å; L960-V1028 HydrophobicContact CD2-CG2 3.83Å; L960-V1040 HydrophobicContact CD2-CG1 4.35Å | ||
| 961 | D | 91.8 | Very high | 95.6 | Very high | 46 Ų | 46 | 25.6 Ų | 25.6 | 25% | 0.246 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -147.1 | -162.7 | 179.4 | 62.7 | 47.3 | 0 | 0 | 0 | 111.2 | K917 I959 D963 N964 | K917-D961 VanDerWaalsContact NZ-C 3.25Å; I959-D961 WeakPolarHBondContact CG2-O 3.4Å; D961-D963 VanDerWaalsContact C-N 3.25Å; D961-D963 PolarHBondContact O-N 2.96Å; D961-D963 PolarHBondContact OD1-N 2.6Å; D961-N964 PolarHBondContact N-O 2.86Å; D961-N964 WeakPolarHBondContact OD1-CB 3.16Å; D961-N964 PolarHBondContact OD1-N 3.16Å; D961-N964 PolarHBondContact OD1-ND2 3.07Å; D961-N964 PolarHBondContact OD2-ND2 3Å |
| 962 | D | 90.8 | Very high | 95.8 | Very high | 89 Ų | 89 | 26.3 Ų | 26.3 | 48% | 0.476 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -72.9 | -17.6 | -176.2 | -66.9 | -15.1 | 0 | 0 | 0 | 113.7 | K917 K979 | K917-D962 WeakPolarHBondContact CE-OD1 3.34Å; K917-D962 IonicContact NZ-OD1 2.81Å; K917-D962 PolarHBondContact NZ-OD1 2.81Å; D962-K979 WeakPolarHBondContact O-CE 3.31Å |
| 963 | D | 92.9 | Very high | 96.1 | Very high | 59 Ų | 59 | 26 Ų | 26 | 32% | 0.316 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -124.6 | -15.6 | -175.3 | -63 | -48.3 | 0 | 0 | 0 | 113.1 | D961 Q978 K979 | D961-D963 VanDerWaalsContact C-N 3.25Å; D961-D963 PolarHBondContact O-N 2.96Å; D961-D963 PolarHBondContact OD1-N 2.6Å; D963-Q978 CarbonylContact O-C 3.49Å; D963-Q978 VanDerWaalsContact O-CA 3.23Å; D963-Q978 WeakPolarHBondContact O-CA 3.39Å; D963-K979 PolarHBondContact O-N 2.82Å; D963-K979 WeakPolarHBondContact OD1-CE 3.46Å; D963-K979 IonicContact OD1-NZ 3.66Å; D963-K979 PolarHBondContact OD1-NZ 2.76Å |
| 964 | N | 95.2 | Very high | 96.2 | Very high | 12 Ų | 12 | 20.6 Ų | 20.6 | 6% | 0.064 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129.7 | -174.1 | -60.9 | -82.1 | 0 | 0 | 0 | 112.7 | S2 L960 D961 V976 C977 Q978 | S2-N964 WeakPolarHBondContact CB-OD1 3.48Å; S2-N964 PolarHBondContact OG-OD1 3.28Å; L960-N964 HydrophobicContact CB-CB 4.25Å; L960-N964 WeakPolarHBondContact CB-O 3.38Å; L960-N964 HydrophobicContact CD1-CB 4.42Å; L960-N964 PolarHBondContact N-O 3.22Å; D961-N964 PolarHBondContact N-O 2.86Å; D961-N964 WeakPolarHBondContact OD1-CB 3.16Å; D961-N964 PolarHBondContact OD1-N 3.16Å; D961-N964 PolarHBondContact OD1-ND2 3.07Å; D961-N964 PolarHBondContact OD2-ND2 3Å; N964-V976 HydrophobicContact CB-CG1 4.01Å; N964-C977 WeakPolarHBondContact CA-O 3.4Å; N964-Q978 PolarHBondContact OD1-NE2 3.36Å |
| 965 | F | 97.1 | Very high | 96.3 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 123.9 | -175.9 | -47.1 | -69.4 | 0 | 0 | 0 | 110.3 | L922 L932 I959 V976 C977 K979 L992 | L922-F965 HydrophobicContact CD1-CB 3.95Å; L922-F965 HydrophobicContact CD1-CD1 3.9Å; L922-F965 HydrophobicContact CD1-CG 3.85Å; L922-F965 HydrophobicContact CD2-CB 4Å; L922-F965 HydrophobicContact CD2-CD1 4.14Å; L922-F965 HydrophobicContact CD2-CG 4.4Å; L922-F965 HydrophobicContact CG-CD1 4.49Å; L932-F965 HydrophobicContact CD1-CE1 3.74Å; L932-F965 HydrophobicContact CD1-CE2 4.33Å; L932-F965 HydrophobicContact CD1-CZ 3.62Å; L932-F965 HydrophobicContact CD2-CE2 3.95Å; L932-F965 HydrophobicContact CD2-CZ 3.62Å; L932-F965 HydrophobicContact CG-CZ 4.22Å; I959-F965 HydrophobicContact CB-CD1 4.48Å; I959-F965 HydrophobicContact CG1-CD1 4.1Å; I959-F965 HydrophobicContact CG1-CE1 4.45Å; I959-F965 HydrophobicContact CG2-CD1 4.19Å; I959-F965 HydrophobicContact CG2-CE1 4.2Å; F965-V976 CarbonylContact O-C 3.52Å; F965-V976 VanDerWaalsContact O-CA 3.31Å; F965-V976 WeakPolarHBondContact O-CA 3.28Å; F965-C977 HydrophobicContact CB-CB 4.49Å; F965-C977 WeakPolarHBondContact CD2-O 3.27Å; F965-C977 PolarHBondContact N-O 3.08Å; F965-C977 PolarHBondContact O-N 3.25Å; F965-K979 HydrophobicContact CE2-CB 3.94Å; F965-K979 HydrophobicContact CZ-CB 4.5Å; F965-L992 HydrophobicContact CD2-CD1 4.43Å; F965-L992 HydrophobicContact CD2-CD2 4.03Å; F965-L992 HydrophobicContact CE2-CD2 3.84Å |
| 966 | L | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 135.1 | 179.3 | 179.8 | 66.1 | 0 | 0 | 0 | 110.4 | V957 E958 L960 V976 F1007 V1028 V1040 F1088 | V957-L966 CarbonylContact C-O 3.56Å; V957-L966 WeakPolarHBondContact CA-O 3.47Å; E958-L966 PolarHBondContact N-O 2.89Å; E958-L966 PolarHBondContact O-N 3.31Å; L960-L966 HydrophobicContact CD1-CB 4.15Å; L960-L966 HydrophobicContact CD2-CB 4.02Å; L960-L966 HydrophobicContact CD2-CD2 4.16Å; L960-L966 HydrophobicContact CG-CB 3.91Å; L966-V976 HydrophobicContact CD1-CG2 4.05Å; L966-F1007 HydrophobicContact CD2-CD1 3.95Å; L966-F1007 HydrophobicContact CD2-CE1 3.45Å; L966-F1007 VanDerWaalsContact CD2-CE1 3.45Å; L966-F1007 HydrophobicContact CD2-CE2 4.3Å; L966-F1007 HydrophobicContact CD2-CZ 3.66Å; L966-F1007 HydrophobicContact CG-CE1 4.17Å; L966-F1007 HydrophobicContact CG-CE2 4.25Å; L966-F1007 HydrophobicContact CG-CZ 3.83Å; L966-V1028 HydrophobicContact CD2-CG1 4.3Å; L966-V1040 HydrophobicContact CD2-CB 4.19Å; L966-V1040 HydrophobicContact CD2-CG1 4.32Å; L966-V1040 HydrophobicContact CD2-CG2 4.06Å; L966-F1088 HydrophobicContact CD1-CZ 4.07Å |
| 967 | G | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 145.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | L974 F975 | G967-L974 WeakPolarHBondContact O-CA 3.34Å; G967-F975 PolarHBondContact N-O 2.9Å; G967-F975 WeakPolarHBondContact O-CD1 3.11Å; G967-F975 PolarHBondContact O-N 2.71Å |
| 968 | A | 98.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 147.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110 | M954 S955 A956 N973 L974 V1004 F1007 | M954-A968 VanDerWaalsContact CE-O 3.29Å; M954-A968 WeakPolarHBondContact CE-O 3.12Å; S955-A968 PolarHBondContact N-O 2.87Å; S955-A968 VanDerWaalsContact OG-C 3.24Å; S955-A968 WeakPolarHBondContact OG-CB 3.34Å; S955-A968 PolarHBondContact OG-O 2.81Å; A956-A968 HydrophobicContact CB-CB 4.31Å; A956-A968 PolarHBondContact N-O 3.12Å; A956-A968 PolarHBondContact O-N 2.84Å; A968-N973 WeakPolarHBondContact CA-O 3.49Å; A968-L974 HydrophobicContact CB-CD2 3.9Å; A968-V1004 HydrophobicContact CB-CB 3.73Å; A968-V1004 HydrophobicContact CB-CG1 4.01Å; A968-F1007 HydrophobicContact CB-CE2 4Å; A968-F1007 HydrophobicContact CB-CZ 3.88Å |
| 969 | E | 96.1 | Very high | 95.9 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 1% | 0.014 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 170.2 | -177.1 | 61.5 | 70.4 | -123.3 | 0 | 0 | 113.5 | N952 W953 S955 A971 F972 N973 F975 | N952-E969 HydrophobicContact CB-CB 4.33Å; W953-E969 CarbonylContact O-C 3.59Å; W953-E969 WeakPolarHBondContact O-CA 3.31Å; W953-E969 VanDerWaalsContact O-CB 3.3Å; W953-E969 WeakPolarHBondContact O-CB 3.4Å; S955-E969 PolarHBondContact OG-N 2.84Å; E969-A971 VanDerWaalsContact C-N 3.25Å; E969-A971 PolarHBondContact O-N 2.77Å; E969-A971 VanDerWaalsContact OE1-CA 3.26Å; E969-A971 WeakPolarHBondContact OE1-CA 3.5Å; E969-A971 WeakPolarHBondContact OE1-CB 3.37Å; E969-A971 PolarHBondContact OE1-N 3.17Å; E969-A971 VanDerWaalsContact OE1-N 3.12Å; E969-A971 WeakPolarHBondContact OE2-CA 3.45Å; E969-A971 WeakPolarHBondContact OE2-CB 3.38Å; E969-A971 PolarHBondContact OE2-N 2.94Å; E969-F972 PolarHBondContact O-N 3.44Å; E969-F972 VanDerWaalsContact O-N 3.13Å; E969-F972 PolarHBondContact OE1-N 3.1Å; E969-N973 HydrophobicContact CG-CB 4.27Å; E969-N973 PolarHBondContact N-O 3.05Å; E969-N973 WeakPolarHBondContact OE1-CA 3.34Å; E969-N973 WeakPolarHBondContact OE1-CB 3.4Å; E969-N973 VanDerWaalsContact OE1-CG 3.27Å; E969-N973 PolarHBondContact OE1-N 3.46Å; E969-N973 PolarHBondContact OE1-ND2 3.3Å; E969-F975 HydrophobicContact CB-CE1 4.47Å; E969-F975 HydrophobicContact CG-CE1 4.4Å |
| 970 | N | 95.4 | Very high | 95.6 | Very high | 73 Ų | 73 | 24.2 Ų | 24.2 | 39% | 0.39 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -12.2 | -168.7 | 74.4 | -15.6 | 0 | 0 | 0 | 115.8 | W953 F972 F1003 | W953-N970 HydrophobicContact CB-CB 4.18Å; W953-N970 VanDerWaalsContact CB-CG 3.49Å; W953-N970 WeakPolarHBondContact CB-ND2 3.3Å; W953-N970 PolarHBondContact O-N 2.98Å; N970-F972 VanDerWaalsContact C-N 3.29Å; N970-F1003 HydrophobicContact CB-CE2 4.04Å |
| 971 | A | 95.8 | Very high | 95.1 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 18% | 0.182 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 21 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E969 N973 H999 H1077 | E969-A971 VanDerWaalsContact C-N 3.25Å; E969-A971 PolarHBondContact O-N 2.77Å; E969-A971 VanDerWaalsContact OE1-CA 3.26Å; E969-A971 WeakPolarHBondContact OE1-CA 3.5Å; E969-A971 WeakPolarHBondContact OE1-CB 3.37Å; E969-A971 PolarHBondContact OE1-N 3.17Å; E969-A971 VanDerWaalsContact OE1-N 3.12Å; E969-A971 WeakPolarHBondContact OE2-CA 3.45Å; E969-A971 WeakPolarHBondContact OE2-CB 3.38Å; E969-A971 PolarHBondContact OE2-N 2.94Å; A971-N973 VanDerWaalsContact C-N 3.31Å; A971-N973 PolarHBondContact O-N 3.08Å; A971-N973 PolarHBondContact O-ND2 2.91Å; A971-H999 PolarHBondContact O-CE1 2.91Å; A971-H999 VanDerWaalsContact O-CE1 3.26Å; A971-H999 PolarHBondContact O-ND1 2.9Å; A971-H1077 WeakPolarHBondContact CB-O 3.3Å |
| 972 | F | 97.3 | Very high | 94.8 | Very high | 60 Ų | 60 | 28.5 Ų | 28.5 | 26% | 0.263 | 17% | 0.168 | S | C | . | . | S | Bend | trans | 67.4 | 26.4 | 171.6 | -40.5 | -84.9 | 0 | 0 | 0 | 114.1 | E969 N970 L1000 G1001 F1003 | E969-F972 PolarHBondContact O-N 3.44Å; E969-F972 VanDerWaalsContact O-N 3.13Å; E969-F972 PolarHBondContact OE1-N 3.1Å; N970-F972 VanDerWaalsContact C-N 3.29Å; F972-L1000 PolarHBondContact O-N 3.21Å; F972-G1001 PolarHBondContact O-N 2.97Å; F972-G1001 VanDerWaalsContact O-N 3.15Å; F972-F1003 HydrophobicContact CD1-CB 3.85Å; F972-F1003 HydrophobicContact CD1-CD2 4.21Å; F972-F1003 HydrophobicContact CE1-CB 3.89Å; F972-F1003 AromaticContact CE1-CD2 3.97Å; F972-F1003 HydrophobicContact CE1-CD2 3.97Å; F972-F1003 HydrophobicContact CE1-CG 4.45Å |
| 973 | N | 97.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.011 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 154 | 176.5 | -51.3 | -70.8 | 0 | 0 | 0 | 112.3 | A968 E969 A971 F998 H999 F1076 H1077 | A968-N973 WeakPolarHBondContact CA-O 3.49Å; E969-N973 HydrophobicContact CG-CB 4.27Å; E969-N973 PolarHBondContact N-O 3.05Å; E969-N973 WeakPolarHBondContact OE1-CA 3.34Å; E969-N973 WeakPolarHBondContact OE1-CB 3.4Å; E969-N973 VanDerWaalsContact OE1-CG 3.27Å; E969-N973 PolarHBondContact OE1-N 3.46Å; E969-N973 PolarHBondContact OE1-ND2 3.3Å; A971-N973 VanDerWaalsContact C-N 3.31Å; A971-N973 PolarHBondContact O-N 3.08Å; A971-N973 PolarHBondContact O-ND2 2.91Å; N973-F998 CarbonylContact C-O 3.58Å; N973-F998 WeakPolarHBondContact CA-O 3.38Å; N973-H999 WeakPolarHBondContact OD1-CA 3.35Å; N973-H999 WeakPolarHBondContact OD1-CB 3.3Å; N973-H999 PolarHBondContact OD1-ND1 2.87Å; N973-F1076 HydrophobicContact CB-CD2 3.51Å; N973-F1076 HydrophobicContact CB-CE2 3.44Å; N973-F1076 VanDerWaalsContact CB-CE2 3.44Å; N973-F1076 HydrophobicContact CB-CG 4.49Å; N973-F1076 HydrophobicContact CB-CZ 4.38Å; N973-H1077 PolarHBondContact ND2-O 2.67Å; N973-H1077 PolarHBondContact OD1-N 3.39Å |
| 974 | L | 98.1 | Very high | 94 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 143.4 | 161.4 | -63.7 | 178.3 | 0 | 0 | 0 | 108.9 | V6 G967 A968 F998 L1000 V1004 F1007 V1040 F1088 | V6-L974 HydrophobicContact CG2-CD1 4.11Å; G967-L974 WeakPolarHBondContact O-CA 3.34Å; A968-L974 HydrophobicContact CB-CD2 3.9Å; L974-F998 PolarHBondContact N-O 2.83Å; L974-F998 PolarHBondContact O-N 3.12Å; L974-L1000 HydrophobicContact CD1-CB 4.48Å; L974-L1000 HydrophobicContact CD1-CD2 4.23Å; L974-L1000 HydrophobicContact CG-CB 4.32Å; L974-L1000 HydrophobicContact CG-CD2 4.4Å; L974-V1004 HydrophobicContact CD2-CG2 4.26Å; L974-F1007 HydrophobicContact CD2-CE1 4.39Å; L974-F1007 HydrophobicContact CD2-CZ 3.91Å; L974-V1040 HydrophobicContact CD1-CG2 4.29Å; L974-F1088 HydrophobicContact CB-CZ 4.15Å |
| 975 | F | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 155.9 | 172.8 | 67.3 | -83.3 | 0 | 0 | 0 | 111.5 | S929 V930 N952 M954 G967 E969 G996 L997 F1076 | S929-F975 WeakPolarHBondContact OG-CZ 3.34Å; V930-F975 HydrophobicContact CG1-CZ 4.47Å; V930-F975 HydrophobicContact CG2-CE2 4.46Å; N952-F975 HydrophobicContact CB-CE1 4.39Å; N952-F975 HydrophobicContact CB-CZ 4.43Å; M954-F975 HydrophobicContact CE-CE1 3.69Å; M954-F975 HydrophobicContact CE-CZ 3.53Å; M954-F975 HydrophobicContact SD-CE1 3.83Å; M954-F975 HydrophobicContact SD-CZ 3.63Å; G967-F975 PolarHBondContact N-O 2.9Å; G967-F975 WeakPolarHBondContact O-CD1 3.11Å; G967-F975 PolarHBondContact O-N 2.71Å; E969-F975 HydrophobicContact CB-CE1 4.47Å; E969-F975 HydrophobicContact CG-CE1 4.4Å; F975-G996 CarbonylContact C-O 3.58Å; F975-G996 WeakPolarHBondContact CA-O 3.14Å; F975-G996 WeakPolarHBondContact CB-O 3.43Å; F975-L997 HydrophobicContact CB-CD2 3.99Å; F975-F1076 HydrophobicContact CB-CE2 4.3Å |
| 976 | V | 97.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 124.6 | 175.2 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | L960 N964 F965 L966 V995 G996 F1088 | L960-V976 HydrophobicContact CD1-CG1 4.29Å; L960-V976 HydrophobicContact CD1-CG2 4.05Å; N964-V976 HydrophobicContact CB-CG1 4.01Å; F965-V976 CarbonylContact O-C 3.52Å; F965-V976 VanDerWaalsContact O-CA 3.31Å; F965-V976 WeakPolarHBondContact O-CA 3.28Å; L966-V976 HydrophobicContact CD1-CG2 4.05Å; V976-V995 HydrophobicContact CB-CG2 4.23Å; V976-V995 HydrophobicContact CG1-CG2 3.9Å; V976-V995 WeakPolarHBondContact O-CG2 3.33Å; V976-V995 PolarHBondContact O-N 2.94Å; V976-G996 PolarHBondContact N-O 2.61Å; V976-G996 PolarHBondContact O-N 3.21Å; V976-F1088 HydrophobicContact CG2-CE1 4.47Å; V976-F1088 HydrophobicContact CG2-CE2 3.93Å; V976-F1088 HydrophobicContact CG2-CZ 3.56Å |
| 977 | C | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 135 | 171.3 | -79.8 | 0 | 0 | 0 | 0 | 109.9 | V930 N964 F965 L992 Q993 | V930-C977 HydrophobicContact CG2-CB 4.19Å; N964-C977 WeakPolarHBondContact CA-O 3.4Å; F965-C977 HydrophobicContact CB-CB 4.49Å; F965-C977 WeakPolarHBondContact CD2-O 3.27Å; F965-C977 PolarHBondContact N-O 3.08Å; F965-C977 PolarHBondContact O-N 3.25Å; C977-L992 HydrophobicContact CB-CB 4.02Å; C977-L992 HydrophobicContact CB-CD1 4.37Å; C977-Q993 CarbonylContact C-O 3.54Å; C977-Q993 WeakPolarHBondContact CA-O 3.46Å |
| 978 | Q | 95.5 | Very high | 92.3 | Very high | 40 Ų | 40 | 45.2 Ų | 45.2 | 19% | 0.187 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133 | 177.5 | -179.3 | 163.3 | 69.7 | 0 | 0 | 110.9 | D963 N964 Q993 V995 | D963-Q978 CarbonylContact O-C 3.49Å; D963-Q978 VanDerWaalsContact O-CA 3.23Å; D963-Q978 WeakPolarHBondContact O-CA 3.39Å; N964-Q978 PolarHBondContact OD1-NE2 3.36Å; Q978-Q993 PolarHBondContact N-O 2.79Å; Q978-Q993 PolarHBondContact O-N 3.43Å; Q978-V995 HydrophobicContact CB-CB 4.34Å; Q978-V995 HydrophobicContact CB-CG1 3.74Å; Q978-V995 HydrophobicContact CB-CG2 3.63Å |
| 979 | K | 93.8 | Very high | 91.8 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 11% | 0.109 | 28% | 0.276 | C | S | . | . | trans | -81 | 125.3 | 169.8 | 169.2 | -171.5 | 56.1 | 123.8 | 0 | 109.5 | L932 I945 D962 D963 F965 S981 L992 | L932-K979 HydrophobicContact CD2-CD 3.85Å; I945-K979 HydrophobicContact CG2-CD 4.46Å; D962-K979 WeakPolarHBondContact O-CE 3.31Å; D963-K979 PolarHBondContact O-N 2.82Å; D963-K979 WeakPolarHBondContact OD1-CE 3.46Å; D963-K979 IonicContact OD1-NZ 3.66Å; D963-K979 PolarHBondContact OD1-NZ 2.76Å; F965-K979 HydrophobicContact CE2-CB 3.94Å; F965-K979 HydrophobicContact CZ-CB 4.5Å; K979-S981 PolarHBondContact NZ-OG 3.47Å; K979-S981 PolarHBondContact O-N 3.13Å; K979-L992 HydrophobicContact CB-CD2 3.93Å | ||
| 980 | D | 89.3 | Confident | 91.7 | Very high | 48 Ų | 48 | 55 Ų | 55 | 26% | 0.257 | 30% | 0.299 | S | S | . | . | trans | -94 | 87.9 | 174.6 | -169.6 | -9 | 0 | 0 | 0 | 111.1 | A982 A983 Q993 | D980-A982 PolarHBondContact O-N 3.09Å; D980-A982 PolarHBondContact OD1-N 3.08Å; D980-A983 HydrophobicContact CB-CB 4.16Å; D980-A983 PolarHBondContact OD1-N 3.49Å; D980-Q993 PolarHBondContact OD2-NE2 2.98Å | ||
| 981 | S | 83.7 | Confident | 91.7 | Very high | 73 Ų | 73 | 54.7 Ų | 54.7 | 51% | 0.51 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -15.8 | 177.5 | -54.5 | 0 | 0 | 0 | 0 | 113 | K979 | K979-S981 PolarHBondContact NZ-OG 3.47Å; K979-S981 PolarHBondContact O-N 3.13Å |
| 982 | A | 84.5 | Confident | 91.6 | Very high | 89 Ų | 89 | 53.7 Ų | 53.7 | 74% | 0.736 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -4.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D980 | D980-A982 PolarHBondContact O-N 3.09Å; D980-A982 PolarHBondContact OD1-N 3.08Å |
| 983 | A | 83.9 | Confident | 91.5 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | trans | -52.4 | 147.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D980 E988 R989 | D980-A983 HydrophobicContact CB-CB 4.16Å; D980-A983 PolarHBondContact OD1-N 3.49Å; A983-E988 HydrophobicContact CB-CB 3.53Å; A983-R989 HydrophobicContact CB-CG 3.63Å; A983-R989 VanDerWaalsContact O-CZ 3.29Å; A983-R989 PolarHBondContact O-NE 3.13Å; A983-R989 PolarHBondContact O-NH2 2.64Å | ||
| 984 | T | 84.7 | Confident | 91.3 | Very high | 121 Ų | 121 | 56.6 Ų | 56.6 | 74% | 0.742 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -90.1 | -25.3 | -170.5 | 59.8 | 0 | 0 | 0 | 0 | 113.4 | E988 | T984-E988 PolarHBondContact N-OE2 2.73Å; T984-E988 PolarHBondContact OG1-OE2 3.03Å |
| 985 | T | 88.4 | Confident | 91.2 | Very high | 52 Ų | 52 | 57.3 Ų | 57.3 | 32% | 0.319 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -111.1 | 153 | 177.1 | 63.8 | 0 | 0 | 0 | 0 | 110.4 | E987 E988 R989 | T985-E987 VanDerWaalsContact C-N 3.27Å; T985-E987 WeakPolarHBondContact CB-OE2 3.34Å; T985-E987 PolarHBondContact O-N 2.99Å; T985-E988 PolarHBondContact N-OE2 3.3Å; T985-E988 PolarHBondContact O-N 2.94Å; T985-E988 WeakPolarHBondContact OG1-CB 3.28Å; T985-E988 WeakPolarHBondContact OG1-CG 3.44Å; T985-E988 PolarHBondContact OG1-N 3.47Å; T985-E988 PolarHBondContact OG1-OE2 2.62Å; T985-E988 VanDerWaalsContact OG1-OE2 3.1Å; T985-R989 WeakPolarHBondContact O-CG 3.34Å; T985-R989 PolarHBondContact O-N 3.4Å |
| 986 | D | 87.4 | Confident | 91.1 | Very high | 102 Ų | 102 | 57.3 Ų | 57.3 | 55% | 0.545 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.7 | -30.1 | 177.6 | -68.4 | -29.4 | 0 | 0 | 0 | 110.9 | R989 Q990 | D986-R989 PolarHBondContact O-N 3.17Å; D986-R989 IonicContact OD1-NH1 3.34Å; D986-R989 PolarHBondContact OD1-NH1 2.96Å; D986-Q990 WeakPolarHBondContact O-CB 3Å; D986-Q990 WeakPolarHBondContact O-CG 3.22Å; D986-Q990 PolarHBondContact O-N 2.86Å |
| 987 | E | 88.1 | Confident | 91.1 | Very high | 143 Ų | 143 | 57.8 Ų | 57.8 | 67% | 0.668 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.2 | -42.4 | 174 | -64.4 | 84.9 | 177.1 | 0 | 0 | 112.5 | T985 Q990 H991 | T985-E987 VanDerWaalsContact C-N 3.27Å; T985-E987 WeakPolarHBondContact CB-OE2 3.34Å; T985-E987 PolarHBondContact O-N 2.99Å; E987-Q990 PolarHBondContact O-N 3.14Å; E987-H991 PolarHBondContact O-N 3.44Å |
| 988 | E | 87.3 | Confident | 91.1 | Very high | 90 Ų | 90 | 58 Ų | 58 | 42% | 0.421 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 175.4 | -76.8 | 166.2 | 169 | 0 | 0 | 111.7 | A983 T984 T985 Q990 H991 | A983-E988 HydrophobicContact CB-CB 3.53Å; T984-E988 PolarHBondContact N-OE2 2.73Å; T984-E988 PolarHBondContact OG1-OE2 3.03Å; T985-E988 PolarHBondContact N-OE2 3.3Å; T985-E988 PolarHBondContact O-N 2.94Å; T985-E988 WeakPolarHBondContact OG1-CB 3.28Å; T985-E988 WeakPolarHBondContact OG1-CG 3.44Å; T985-E988 PolarHBondContact OG1-N 3.47Å; T985-E988 PolarHBondContact OG1-OE2 2.62Å; T985-E988 VanDerWaalsContact OG1-OE2 3.1Å; E988-Q990 VanDerWaalsContact C-N 3.29Å; E988-Q990 PolarHBondContact O-N 3.15Å; E988-H991 PolarHBondContact O-N 2.89Å |
| 989 | R | 89.2 | Confident | 91.2 | Very high | 105 Ų | 105 | 56.5 Ų | 56.5 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.2 | -33.6 | 176.7 | -70.6 | 176.4 | -174.9 | 155.9 | 1.9 | 112.7 | A946 A983 T985 D986 H991 | A946-R989 WeakPolarHBondContact CB-O 3.27Å; A983-R989 HydrophobicContact CB-CG 3.63Å; A983-R989 VanDerWaalsContact O-CZ 3.29Å; A983-R989 PolarHBondContact O-NE 3.13Å; A983-R989 PolarHBondContact O-NH2 2.64Å; T985-R989 WeakPolarHBondContact O-CG 3.34Å; T985-R989 PolarHBondContact O-N 3.4Å; D986-R989 PolarHBondContact O-N 3.17Å; D986-R989 IonicContact OD1-NH1 3.34Å; D986-R989 PolarHBondContact OD1-NH1 2.96Å; R989-H991 PolarHBondContact O-N 2.94Å |
| 990 | Q | 92.8 | Very high | 91.4 | Very high | 104 Ų | 104 | 55.7 Ų | 55.7 | 49% | 0.486 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -7.8 | 177.8 | -74 | 178 | -2.1 | 0 | 0 | 113.6 | I945 A946 R947 D986 E987 E988 | I945-Q990 WeakPolarHBondContact O-CA 3.11Å; A946-Q990 CarbonylContact C-O 3.58Å; A946-Q990 VanDerWaalsContact CA-O 3.23Å; A946-Q990 WeakPolarHBondContact CA-O 3.41Å; R947-Q990 PolarHBondContact N-O 3.3Å; D986-Q990 WeakPolarHBondContact O-CB 3Å; D986-Q990 WeakPolarHBondContact O-CG 3.22Å; D986-Q990 PolarHBondContact O-N 2.86Å; E987-Q990 PolarHBondContact O-N 3.14Å; E988-Q990 VanDerWaalsContact C-N 3.29Å; E988-Q990 PolarHBondContact O-N 3.15Å |
| 991 | H | 94.7 | Very high | 91.7 | Very high | 67 Ų | 67 | 53.5 Ų | 53.5 | 31% | 0.31 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -102 | 117.6 | 178.4 | -175.7 | 36.7 | 0 | 0 | 0 | 111.4 | F949 E987 E988 R989 Q993 | F949-H991 AromaticContact CD2-ND1 3.4Å; F949-H991 WeakPolarHBondContact CD2-ND1 3.42Å; F949-H991 HydrophobicContact CE2-CB 4.23Å; F949-H991 AromaticContact CE2-ND1 3.86Å; E987-H991 PolarHBondContact O-N 3.44Å; E988-H991 PolarHBondContact O-N 2.89Å; R989-H991 PolarHBondContact O-N 2.94Å; H991-Q993 PolarHBondContact O-N 3.37Å |
| 992 | L | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 118.8 | 167.1 | -69.4 | 177.4 | 0 | 0 | 0 | 109.6 | V930 A946 R947 D948 F965 C977 K979 | V930-L992 HydrophobicContact CG2-CD1 3.88Å; A946-L992 HydrophobicContact CB-CD2 3.67Å; A946-L992 HydrophobicContact CB-CG 3.74Å; R947-L992 PolarHBondContact O-N 3.38Å; D948-L992 HydrophobicContact CB-CB 4.43Å; F965-L992 HydrophobicContact CD2-CD1 4.43Å; F965-L992 HydrophobicContact CD2-CD2 4.03Å; F965-L992 HydrophobicContact CE2-CD2 3.84Å; C977-L992 HydrophobicContact CB-CB 4.02Å; C977-L992 HydrophobicContact CB-CD1 4.37Å; K979-L992 HydrophobicContact CB-CD2 3.93Å |
| 993 | Q | 93.9 | Very high | 93 | Very high | 72 Ų | 72 | 48.8 Ų | 48.8 | 34% | 0.336 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 128.3 | -177.8 | -63.3 | 178.4 | 9.6 | 0 | 0 | 110.6 | C977 Q978 D980 H991 V995 | C977-Q993 CarbonylContact C-O 3.54Å; C977-Q993 WeakPolarHBondContact CA-O 3.46Å; Q978-Q993 PolarHBondContact N-O 2.79Å; Q978-Q993 PolarHBondContact O-N 3.43Å; D980-Q993 PolarHBondContact OD2-NE2 2.98Å; H991-Q993 PolarHBondContact O-N 3.37Å; Q993-V995 HydrophobicContact CB-CG1 4.33Å; Q993-V995 PolarHBondContact O-N 3.27Å |
| 994 | E | 93.7 | Very high | 93.7 | Very high | 51 Ų | 51 | 48.7 Ų | 48.7 | 24% | 0.238 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 110 | 170.2 | -68.1 | 179.5 | 132.6 | 0 | 0 | 109.5 | N950 L997 K1081 | N950-E994 PolarHBondContact ND2-OE1 3.44Å; N950-E994 VanDerWaalsContact ND2-OE1 3.13Å; N950-E994 PolarHBondContact ND2-OE2 3.22Å; E994-L997 HydrophobicContact CB-CD2 4.42Å; E994-K1081 IonicContact OE1-NZ 3.56Å; E994-K1081 IonicContact OE2-NZ 3.04Å; E994-K1081 PolarHBondContact OE2-NZ 3.33Å |
| 995 | V | 95.4 | Very high | 94.2 | Very high | 17 Ų | 17 | 44.5 Ų | 44.5 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | -9.8 | -177.8 | -65.9 | 0 | 0 | 0 | 0 | 113.8 | V976 Q978 Q993 | V976-V995 HydrophobicContact CB-CG2 4.23Å; V976-V995 HydrophobicContact CG1-CG2 3.9Å; V976-V995 WeakPolarHBondContact O-CG2 3.33Å; V976-V995 PolarHBondContact O-N 2.94Å; Q978-V995 HydrophobicContact CB-CB 4.34Å; Q978-V995 HydrophobicContact CB-CG1 3.74Å; Q978-V995 HydrophobicContact CB-CG2 3.63Å; Q993-V995 HydrophobicContact CB-CG1 4.33Å; Q993-V995 PolarHBondContact O-N 3.27Å |
| 996 | G | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 134.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | F975 V976 T1086 | F975-G996 CarbonylContact C-O 3.58Å; F975-G996 WeakPolarHBondContact CA-O 3.14Å; F975-G996 WeakPolarHBondContact CB-O 3.43Å; V976-G996 PolarHBondContact N-O 2.61Å; V976-G996 PolarHBondContact O-N 3.21Å; G996-T1086 CarbonylContact C-O 3.55Å; G996-T1086 VanDerWaalsContact CA-O 3.24Å; G996-T1086 WeakPolarHBondContact CA-O 3.11Å |
| 997 | L | 97.4 | Very high | 95.2 | Very high | 10 Ų | 10 | 38 Ų | 38 | 5% | 0.052 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 125.9 | -179.4 | -63.9 | 177.9 | 0 | 0 | 0 | 108.5 | F975 E994 F1076 E1083 A1085 T1086 | F975-L997 HydrophobicContact CB-CD2 3.99Å; E994-L997 HydrophobicContact CB-CD2 4.42Å; L997-F1076 HydrophobicContact CB-CB 3.84Å; L997-F1076 HydrophobicContact CB-CD2 4.08Å; L997-F1076 HydrophobicContact CB-CG 4.11Å; L997-F1076 HydrophobicContact CD2-CD1 4.48Å; L997-F1076 HydrophobicContact CD2-CD2 3.8Å; L997-F1076 HydrophobicContact CD2-CE2 3.97Å; L997-F1076 HydrophobicContact CD2-CG 4.08Å; L997-F1076 HydrophobicContact CD2-CZ 4.39Å; L997-F1076 HydrophobicContact CG-CD2 4.49Å; L997-F1076 HydrophobicContact CG-CG 4.5Å; L997-E1083 HydrophobicContact CD1-CB 3.98Å; L997-A1085 CarbonylContact O-C 3.57Å; L997-A1085 WeakPolarHBondContact O-CA 3.02Å; L997-T1086 PolarHBondContact N-O 3.17Å; L997-T1086 PolarHBondContact O-N 3.44Å |
| 998 | F | 97.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 1% | 0.013 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 126.8 | -176.7 | -174.4 | -98.3 | 0 | 0 | 0 | 112.3 | V6 N973 L974 L1000 R1074 A1085 F1088 D1090 | V6-F998 HydrophobicContact CG1-CD1 4.08Å; V6-F998 HydrophobicContact CG1-CE1 3.61Å; V6-F998 HydrophobicContact CG1-CE2 4.13Å; V6-F998 HydrophobicContact CG1-CZ 3.62Å; N973-F998 CarbonylContact C-O 3.58Å; N973-F998 WeakPolarHBondContact CA-O 3.38Å; L974-F998 PolarHBondContact N-O 2.83Å; L974-F998 PolarHBondContact O-N 3.12Å; F998-L1000 HydrophobicContact CD1-CB 4.4Å; F998-L1000 HydrophobicContact CE1-CB 4.43Å; F998-L1000 HydrophobicContact CE1-CD1 4.01Å; F998-L1000 PolarHBondContact O-N 2.77Å; F998-R1074 HydrophobicContact CD2-CB 4.3Å; F998-R1074 HydrophobicContact CE2-CB 4.06Å; F998-R1074 HydrophobicContact CE2-CG 3.81Å; F998-R1074 HydrophobicContact CZ-CG 4.15Å; F998-R1074 VanDerWaalsContact CZ-CZ 3.5Å; F998-R1074 VanDerWaalsContact CZ-NE 3.32Å; F998-A1085 HydrophobicContact CD2-CB 4.41Å; F998-F1088 HydrophobicContact CB-CB 3.98Å; F998-F1088 HydrophobicContact CB-CD1 4.5Å; F998-F1088 HydrophobicContact CB-CD2 3.49Å; F998-F1088 VanDerWaalsContact CB-CD2 3.49Å; F998-F1088 HydrophobicContact CB-CE2 4.01Å; F998-F1088 HydrophobicContact CB-CG 3.76Å; F998-F1088 HydrophobicContact CD2-CB 3.71Å; F998-F1088 HydrophobicContact CD2-CG 4.37Å; F998-F1088 HydrophobicContact CE2-CB 4.39Å; F998-F1088 HydrophobicContact CG-CB 4.01Å; F998-F1088 HydrophobicContact CG-CD2 4.38Å; F998-F1088 HydrophobicContact CG-CG 4.16Å; F998-D1090 HydrophobicContact CE2-CB 4.2Å; F998-D1090 HydrophobicContact CZ-CB 4.27Å |
| 999 | H | 98 | Very high | 95.7 | Very high | 9 Ų | 9 | 32.4 Ų | 32.4 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 109.8 | 171.1 | -171.8 | 74.7 | 0 | 0 | 0 | 110.8 | K83 A971 N973 W1073 R1074 S1075 | K83-H999 WeakPolarHBondContact CE-NE2 3.32Å; K83-H999 PolarHBondContact NZ-CD2 2.9Å; K83-H999 VanDerWaalsContact NZ-CD2 3.34Å; K83-H999 PolarHBondContact NZ-NE2 2.86Å; A971-H999 PolarHBondContact O-CE1 2.91Å; A971-H999 VanDerWaalsContact O-CE1 3.26Å; A971-H999 PolarHBondContact O-ND1 2.9Å; N973-H999 WeakPolarHBondContact OD1-CA 3.35Å; N973-H999 WeakPolarHBondContact OD1-CB 3.3Å; N973-H999 PolarHBondContact OD1-ND1 2.87Å; H999-W1073 WeakPolarHBondContact CB-O 3.28Å; H999-W1073 AromaticContact CD2-CE3 3.92Å; H999-W1073 AromaticContact CD2-CZ3 3.68Å; H999-W1073 PolarHBondContact CD2-O 3.13Å; H999-W1073 AromaticContact NE2-CZ3 3.7Å; H999-R1074 PolarHBondContact N-O 2.95Å; H999-R1074 WeakPolarHBondContact O-CD 3.49Å; H999-R1074 PolarHBondContact O-NH1 2.8Å; H999-R1074 VanDerWaalsContact O-NH1 3.14Å; H999-S1075 WeakPolarHBondContact CB-O 3.33Å |
| 1000 | L | 97.4 | Very high | 95.6 | Very high | 8 Ų | 8 | 28.4 Ų | 28.4 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | trans | -77.7 | -38 | 179.5 | -175.2 | 66.3 | 0 | 0 | 0 | 111.2 | V6 F972 L974 F998 E1002 V1004 F1030 M1036 R1074 | V6-L1000 HydrophobicContact CG2-CD1 4.26Å; F972-L1000 PolarHBondContact O-N 3.21Å; L974-L1000 HydrophobicContact CD1-CB 4.48Å; L974-L1000 HydrophobicContact CD1-CD2 4.23Å; L974-L1000 HydrophobicContact CG-CB 4.32Å; L974-L1000 HydrophobicContact CG-CD2 4.4Å; F998-L1000 HydrophobicContact CD1-CB 4.4Å; F998-L1000 HydrophobicContact CE1-CB 4.43Å; F998-L1000 HydrophobicContact CE1-CD1 4.01Å; F998-L1000 PolarHBondContact O-N 2.77Å; L1000-E1002 VanDerWaalsContact C-N 3.33Å; L1000-E1002 HydrophobicContact CD2-CB 3.82Å; L1000-E1002 HydrophobicContact CG-CB 3.97Å; L1000-E1002 HydrophobicContact CG-CG 4.49Å; L1000-V1004 HydrophobicContact CD2-CG2 3.5Å; L1000-F1030 HydrophobicContact CD1-CZ 4.23Å; L1000-F1030 HydrophobicContact CD2-CD2 4.4Å; L1000-F1030 HydrophobicContact CD2-CE2 3.64Å; L1000-F1030 HydrophobicContact CD2-CZ 3.97Å; L1000-M1036 HydrophobicContact CD1-CE 4.45Å; L1000-R1074 PolarHBondContact O-NH1 2.66Å | ||
| 1001 | G | 96.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 85 | 8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | N36 F972 W1073 | N36-G1001 PolarHBondContact ND2-O 3.34Å; F972-G1001 PolarHBondContact O-N 2.97Å; F972-G1001 VanDerWaalsContact O-N 3.15Å; G1001-W1073 VanDerWaalsContact CA-CH2 3.48Å |
| 1002 | E | 97 | Very high | 94.3 | Very high | 5 Ų | 5 | 21.8 Ų | 21.8 | 2% | 0.023 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -130.5 | 146.1 | -177.3 | -72.2 | -78.9 | 163 | 0 | 0 | 109.8 | P12 N36 L1000 V1004 T1032 N1034 M1036 | P12-E1002 WeakPolarHBondContact CG-OE1 3.48Å; N36-E1002 PolarHBondContact ND2-OE1 2.89Å; L1000-E1002 VanDerWaalsContact C-N 3.33Å; L1000-E1002 HydrophobicContact CD2-CB 3.82Å; L1000-E1002 HydrophobicContact CG-CB 3.97Å; L1000-E1002 HydrophobicContact CG-CG 4.49Å; E1002-V1004 PolarHBondContact O-N 2.77Å; E1002-T1032 HydrophobicContact CB-CG2 3.89Å; E1002-T1032 PolarHBondContact OE2-OG1 2.99Å; E1002-N1034 WeakPolarHBondContact OE2-CB 3.42Å; E1002-N1034 PolarHBondContact OE2-ND2 2.81Å; E1002-M1036 HydrophobicContact CB-SD 4.14Å; E1002-M1036 HydrophobicContact CG-SD 3.59Å; E1002-M1036 VanDerWaalsContact CG-SD 3.59Å |
| 1003 | F | 97.6 | Very high | 93.2 | Very high | 59 Ų | 59 | 23.1 Ų | 23.1 | 26% | 0.259 | 12% | 0.124 | S | C | . | . | trans | -90.2 | 99.8 | 179.8 | -166.5 | -78 | 0 | 0 | 0 | 108.7 | N970 F972 N1005 T1032 V1033 | N970-F1003 HydrophobicContact CB-CE2 4.04Å; F972-F1003 HydrophobicContact CD1-CB 3.85Å; F972-F1003 HydrophobicContact CD1-CD2 4.21Å; F972-F1003 HydrophobicContact CE1-CB 3.89Å; F972-F1003 AromaticContact CE1-CD2 3.97Å; F972-F1003 HydrophobicContact CE1-CD2 3.97Å; F972-F1003 HydrophobicContact CE1-CG 4.45Å; F1003-N1005 HydrophobicContact CD1-CB 4.25Å; F1003-N1005 HydrophobicContact CE1-CB 4.19Å; F1003-T1032 VanDerWaalsContact O-CA 3.27Å; F1003-T1032 WeakPolarHBondContact O-CA 3.42Å; F1003-T1032 WeakPolarHBondContact O-CB 3.3Å; F1003-V1033 HydrophobicContact CB-CG1 4.1Å; F1003-V1033 HydrophobicContact CB-CG2 3.65Å; F1003-V1033 HydrophobicContact CD1-CG1 3.64Å; F1003-V1033 HydrophobicContact CE1-CG1 4.44Å; F1003-V1033 HydrophobicContact CG-CG1 4.18Å; F1003-V1033 HydrophobicContact CG-CG2 4.48Å; F1003-V1033 PolarHBondContact O-N 3.03Å; F1003-V1033 VanDerWaalsContact O-N 3.15Å | ||
| 1004 | V | 98.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 125.8 | 176.1 | 176.7 | 0 | 0 | 0 | 0 | 109.1 | S955 A956 A968 L974 L1000 E1002 F1007 F1030 T1032 | S955-V1004 WeakPolarHBondContact CB-O 3.49Å; S955-V1004 PolarHBondContact OG-O 2.81Å; A956-V1004 HydrophobicContact CB-CG1 4.32Å; A968-V1004 HydrophobicContact CB-CB 3.73Å; A968-V1004 HydrophobicContact CB-CG1 4.01Å; L974-V1004 HydrophobicContact CD2-CG2 4.26Å; L1000-V1004 HydrophobicContact CD2-CG2 3.5Å; E1002-V1004 PolarHBondContact O-N 2.77Å; V1004-F1007 HydrophobicContact CG1-CD1 4.29Å; V1004-F1007 HydrophobicContact CG1-CE1 3.74Å; V1004-F1007 HydrophobicContact CG1-CE2 4.23Å; V1004-F1007 HydrophobicContact CG1-CZ 3.71Å; V1004-F1030 HydrophobicContact CG1-CB 3.76Å; V1004-F1030 HydrophobicContact CG1-CD2 4.45Å; V1004-F1030 HydrophobicContact CG1-CG 4.37Å; V1004-F1030 HydrophobicContact CG2-CB 4.5Å; V1004-F1030 HydrophobicContact CG2-CD2 3.68Å; V1004-F1030 HydrophobicContact CG2-CE2 4.14Å; V1004-F1030 HydrophobicContact CG2-CG 4.25Å; V1004-T1032 HydrophobicContact CG2-CG2 4.1Å |
| 1005 | N | 96 | Very high | 89.8 | Confident | 32 Ų | 32 | 28.8 Ų | 28.8 | 17% | 0.171 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | -4.4 | -178.5 | 60.8 | -23.9 | 0 | 0 | 0 | 113.2 | I359 S955 F1003 G1031 | I359-N1005 VanDerWaalsContact O-CG 3.27Å; I359-N1005 PolarHBondContact O-ND2 2.87Å; I359-N1005 PolarHBondContact O-OD1 3.08Å; S955-N1005 WeakPolarHBondContact O-CA 3.48Å; F1003-N1005 HydrophobicContact CD1-CB 4.25Å; F1003-N1005 HydrophobicContact CE1-CB 4.19Å; N1005-G1031 PolarHBondContact N-O 2.87Å; N1005-G1031 PolarHBondContact OD1-O 3Å; N1005-G1031 VanDerWaalsContact OD1-O 3.13Å |
| 1006 | V | 98 | Very high | 87.6 | Confident | 10 Ų | 10 | 31.2 Ų | 31.2 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 136.3 | 175.4 | 62 | 0 | 0 | 0 | 0 | 111.5 | I359 M362 F1030 G1031 | I359-V1006 HydrophobicContact CG2-CG1 3.97Å; M362-V1006 HydrophobicContact CE-CG1 4.06Å; M362-V1006 HydrophobicContact CE-CG2 4.36Å; M362-V1006 HydrophobicContact CG-CG1 3.96Å; M362-V1006 HydrophobicContact CG-CG2 3.87Å; M362-V1006 HydrophobicContact SD-CG1 3.9Å; V1006-F1030 VanDerWaalsContact O-CA 3.26Å; V1006-F1030 WeakPolarHBondContact O-CA 3.16Å; V1006-G1031 PolarHBondContact O-N 2.83Å; V1006-G1031 VanDerWaalsContact O-N 3.09Å |
| 1007 | F | 98 | Very high | 84.8 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 141.4 | 168.6 | -69.1 | -63.9 | 0 | 0 | 0 | 109.9 | K915 A956 E958 L966 A968 L974 V1004 V1028 L1029 F1030 | K915-F1007 PolarHBondContact NZ-O 3.41Å; A956-F1007 HydrophobicContact CB-CD2 3.41Å; A956-F1007 VanDerWaalsContact CB-CD2 3.41Å; A956-F1007 HydrophobicContact CB-CE2 3.45Å; A956-F1007 VanDerWaalsContact CB-CE2 3.45Å; A956-F1007 HydrophobicContact CB-CG 4.36Å; A956-F1007 HydrophobicContact CB-CZ 4.42Å; E958-F1007 HydrophobicContact CB-CB 3.69Å; E958-F1007 HydrophobicContact CB-CD2 3.95Å; E958-F1007 HydrophobicContact CB-CG 3.89Å; E958-F1007 HydrophobicContact CG-CB 4.11Å; L966-F1007 HydrophobicContact CD2-CD1 3.95Å; L966-F1007 HydrophobicContact CD2-CE1 3.45Å; L966-F1007 VanDerWaalsContact CD2-CE1 3.45Å; L966-F1007 HydrophobicContact CD2-CE2 4.3Å; L966-F1007 HydrophobicContact CD2-CZ 3.66Å; L966-F1007 HydrophobicContact CG-CE1 4.17Å; L966-F1007 HydrophobicContact CG-CE2 4.25Å; L966-F1007 HydrophobicContact CG-CZ 3.83Å; A968-F1007 HydrophobicContact CB-CE2 4Å; A968-F1007 HydrophobicContact CB-CZ 3.88Å; L974-F1007 HydrophobicContact CD2-CE1 4.39Å; L974-F1007 HydrophobicContact CD2-CZ 3.91Å; V1004-F1007 HydrophobicContact CG1-CD1 4.29Å; V1004-F1007 HydrophobicContact CG1-CE1 3.74Å; V1004-F1007 HydrophobicContact CG1-CE2 4.23Å; V1004-F1007 HydrophobicContact CG1-CZ 3.71Å; F1007-V1028 HydrophobicContact CB-CG1 3.98Å; F1007-V1028 HydrophobicContact CD1-CG1 3.74Å; F1007-V1028 HydrophobicContact CG-CG1 4.18Å; F1007-L1029 CarbonylContact C-O 3.55Å; F1007-L1029 WeakPolarHBondContact CA-O 3.18Å; F1007-F1030 HydrophobicContact CD1-CB 3.54Å; F1007-F1030 HydrophobicContact CE1-CB 3.6Å; F1007-F1030 HydrophobicContact CE1-CD1 4.32Å; F1007-F1030 HydrophobicContact CE1-CG 4.24Å |
| 1008 | C | 94.8 | Very high | 82.1 | Confident | 23 Ų | 23 | 43 Ų | 43 | 16% | 0.155 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 132.1 | 175.5 | -165.8 | 0 | 0 | 0 | 0 | 110.4 | M362 L1029 | M362-C1008 HydrophobicContact CE-CB 3.66Å; M362-C1008 HydrophobicContact CG-CB 4.09Å; C1008-L1029 PolarHBondContact N-O 3.37Å; C1008-L1029 PolarHBondContact O-N 3.42Å |
| 1009 | H | 92.6 | Very high | 79.7 | Confident | 93 Ų | 93 | 47.5 Ų | 47.5 | 43% | 0.431 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 136.2 | 169.2 | -79.8 | -86.9 | 0 | 0 | 0 | 110.4 | E958 I959 S1027 | E958-H1009 IonicContact OE1-CD2 3.72Å; E958-H1009 IonicContact OE1-NE2 2.69Å; E958-H1009 IonicContact OE2-CD2 2.81Å; I959-H1009 PolarHBondContact O-CE1 2.86Å; I959-H1009 VanDerWaalsContact O-CE1 3.28Å; I959-H1009 PolarHBondContact O-NE2 3.36Å; H1009-S1027 WeakPolarHBondContact CA-O 3.21Å |
| 1010 | G | 86.8 | Confident | 77 | Confident | 21 Ų | 21 | 54.1 Ų | 54.1 | 22% | 0.216 | 31% | 0.305 | C | S | . | . | trans | 155 | 176.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1027 | G1010-S1027 PolarHBondContact N-O 2.8Å; G1010-S1027 VanDerWaalsContact N-O 3.08Å; G1010-S1027 VanDerWaalsContact O-CB 3.24Å; G1010-S1027 WeakPolarHBondContact O-CB 3.18Å; G1010-S1027 PolarHBondContact O-OG 2.98Å | ||
| 1011 | S | 83 | Confident | 74.9 | Confident | 31 Ų | 31 | 56.2 Ų | 56.2 | 22% | 0.217 | 32% | 0.32 | C | S | . | . | trans | -135.3 | 138.1 | 179.2 | 177.6 | 0 | 0 | 0 | 0 | 109.7 | G373 V1013 | G373-S1011 WeakPolarHBondContact CA-O 3.32Å; S1011-V1013 VanDerWaalsContact C-N 3.34Å; S1011-V1013 PolarHBondContact OG-N 2.93Å; S1011-V1013 VanDerWaalsContact OG-N 3.14Å; S1011-V1013 PolarHBondContact OG-O 3.41Å | ||
| 1012 | L | 76.6 | Confident | 73.2 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -82.8 | -16.3 | 171.2 | -69.4 | 175 | 0 | 0 | 0 | 112.4 | A9 L375 N392 L710 L1029 | A9-L1012 HydrophobicContact CB-CD1 4.4Å; L375-L1012 HydrophobicContact CB-CD2 3.63Å; N392-L1012 WeakPolarHBondContact CB-O 3.21Å; L710-L1012 HydrophobicContact CD2-CD1 4.28Å; L1012-L1029 HydrophobicContact CG-CD1 4.3Å |
| 1013 | V | 73.1 | Confident | 71.8 | Confident | 28 Ų | 28 | 60.2 Ų | 60.2 | 17% | 0.17 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -107.3 | 140.5 | -176.5 | -161.9 | 0 | 0 | 0 | 0 | 110.5 | S1011 Q1015 R1138 | S1011-V1013 VanDerWaalsContact C-N 3.34Å; S1011-V1013 PolarHBondContact OG-N 2.93Å; S1011-V1013 VanDerWaalsContact OG-N 3.14Å; S1011-V1013 PolarHBondContact OG-O 3.41Å; V1013-Q1015 PolarHBondContact O-N 2.87Å; V1013-R1138 WeakPolarHBondContact CB-O 3.49Å; V1013-R1138 VanDerWaalsContact CG1-O 3.3Å; V1013-R1138 WeakPolarHBondContact CG1-O 3.49Å; V1013-R1138 WeakPolarHBondContact CG2-O 3.23Å |
| 1014 | M | 60.9 | Low | 70.8 | Confident | 78 Ų | 78 | 58.8 Ų | 58.8 | 38% | 0.384 | 34% | 0.341 | S | S | . | . | trans | -64.9 | 125.3 | 173.3 | -172.7 | -178.5 | 177.1 | 0 | 0 | 109.9 | N1016 | M1014-N1016 PolarHBondContact O-N 2.93Š| ||
| 1015 | Q | 55.3 | Low | 69.9 | Low | 163 Ų | 163 | 65.6 Ų | 65.6 | 76% | 0.762 | 37% | 0.372 | S | S | * | . | trans | -74.6 | 107.4 | 168.1 | -72.8 | -175.6 | -6.3 | 0 | 0 | 108.8 | V1013 L1017 | V1013-Q1015 PolarHBondContact O-N 2.87Å; Q1015-L1017 PolarHBondContact O-N 2.84Å | ||
| 1016 | N | 47.9 | Very low | 69.3 | Low | 68 Ų | 68 | 67 Ų | 67 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | trans | -65 | 108.9 | 171.8 | -77.3 | -26.5 | 0 | 0 | 0 | 109.5 | M1014 G1018 E1019 | M1014-N1016 PolarHBondContact O-N 2.93Å; N1016-G1018 PolarHBondContact O-N 3.1Å; N1016-E1019 HydrophobicContact CB-CB 4.36Å; N1016-E1019 HydrophobicContact CB-CG 4.39Å; N1016-E1019 PolarHBondContact ND2-OE2 2.71Å; N1016-E1019 PolarHBondContact O-N 2.75Å | ||
| 1017 | L | 37.3 | Very low | 68.8 | Low | 189 Ų | 189 | 67.7 Ų | 67.7 | 99% | 0.99 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 93.2 | 168.9 | -78.2 | 141 | 0 | 0 | 0 | 109.6 | Q1015 | Q1015-L1017 PolarHBondContact O-N 2.84Š|
| 1018 | G | 41.6 | Very low | 68.7 | Low | 69 Ų | 69 | 67.5 Ų | 67.5 | 71% | 0.711 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 139.8 | -21.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | N1016 T1020 | N1016-G1018 PolarHBondContact O-N 3.1Å; G1018-T1020 PolarHBondContact O-N 2.8Å |
| 1019 | E | 46.5 | Very low | 68.7 | Low | 98 Ų | 98 | 66.6 Ų | 66.6 | 46% | 0.458 | 39% | 0.393 | S | S | . | . | trans | -88.8 | 79.4 | 172.1 | -71.4 | -176.3 | 149.1 | 0 | 0 | 109.2 | N1016 S1021 R1138 | N1016-E1019 HydrophobicContact CB-CB 4.36Å; N1016-E1019 HydrophobicContact CB-CG 4.39Å; N1016-E1019 PolarHBondContact ND2-OE2 2.71Å; N1016-E1019 PolarHBondContact O-N 2.75Å; E1019-S1021 PolarHBondContact O-N 2.97Å; E1019-R1138 IonicContact OE1-NH1 3.54Å; E1019-R1138 IonicContact OE2-NH1 2.71Å | ||
| 1020 | T | 42.3 | Very low | 69 | Low | 148 Ų | 148 | 62.1 Ų | 62.1 | 91% | 0.908 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | 31.3 | 178.7 | 43.1 | 0 | 0 | 0 | 0 | 114.4 | G1018 | G1018-T1020 PolarHBondContact O-N 2.8Š|
| 1021 | S | 53 | Low | 69.5 | Low | 52 Ų | 52 | 61.1 Ų | 61.1 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -14.8 | -174 | 66.2 | 0 | 0 | 0 | 0 | 116.3 | E1019 P1023 | E1019-S1021 PolarHBondContact O-N 2.97Å; S1021-P1023 WeakPolarHBondContact O-CD 3.21Å |
| 1022 | T | 61.1 | Low | 70.3 | Confident | 73 Ų | 73 | 59.7 Ų | 59.7 | 45% | 0.448 | 35% | 0.352 | S | S | . | . | trans | -66.2 | 121.6 | -179.1 | 50.9 | 0 | 0 | 0 | 0 | 110.5 | T1024 I1139 | T1022-T1024 PolarHBondContact O-N 2.92Å; T1022-T1024 VanDerWaalsContact O-N 3.1Å; T1022-I1139 HydrophobicContact CG2-CG2 4.23Å | ||
| 1023 | P | 66.3 | Low | 71.2 | Confident | 18 Ų | 18 | 60.9 Ų | 60.9 | 12% | 0.117 | 36% | 0.359 | C | S | . | . | trans | -79 | 8.6 | -171.5 | 32.6 | -37.1 | 0 | 0 | 0 | 114.5 | S1021 W1047 L1136 | S1021-P1023 WeakPolarHBondContact O-CD 3.21Å; P1023-W1047 HydrophobicContact CB-CB 4.29Å; P1023-W1047 HydrophobicContact CB-CD2 3.48Å; P1023-W1047 VanDerWaalsContact CB-CD2 3.48Å; P1023-W1047 HydrophobicContact CB-CE3 4.24Å; P1023-W1047 HydrophobicContact CB-CG 3.47Å; P1023-W1047 VanDerWaalsContact CB-CG 3.47Å; P1023-W1047 HydrophobicContact CB-CZ2 3.98Å; P1023-W1047 VanDerWaalsContact CB-NE1 3.28Å; P1023-W1047 HydrophobicContact CG-CD2 4.02Å; P1023-W1047 HydrophobicContact CG-CE3 4.28Å; P1023-W1047 HydrophobicContact CG-CG 4.33Å; P1023-W1047 HydrophobicContact CG-CZ2 4.38Å; P1023-L1136 HydrophobicContact CG-CD2 3.96Å | ||
| 1024 | T | 78.3 | Confident | 72.4 | Confident | 28 Ų | 28 | 59.7 Ų | 59.7 | 17% | 0.172 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 147.9 | -165.2 | 49.6 | 0 | 0 | 0 | 0 | 111.6 | T1022 T1041 S1042 L1043 L1136 I1139 | T1022-T1024 PolarHBondContact O-N 2.92Å; T1022-T1024 VanDerWaalsContact O-N 3.1Å; T1024-T1041 VanDerWaalsContact CB-OG1 3.3Å; T1024-T1041 WeakPolarHBondContact CB-OG1 3.19Å; T1024-T1041 HydrophobicContact CG2-CG2 3.52Å; T1024-S1042 CarbonylContact C-O 3.6Å; T1024-S1042 VanDerWaalsContact CA-O 3.31Å; T1024-S1042 WeakPolarHBondContact CA-O 3.48Å; T1024-L1043 HydrophobicContact CG2-CD2 3.76Å; T1024-L1136 HydrophobicContact CG2-CD2 4.42Å; T1024-I1139 HydrophobicContact CG2-CD1 4.2Å |
| 1025 | Q | 79.2 | Confident | 74.2 | Confident | 146 Ų | 146 | 56 Ų | 56 | 68% | 0.682 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 131.9 | 176.3 | -65.9 | -177.3 | -4.3 | 0 | 0 | 110.3 | T1041 S1042 | Q1025-T1041 PolarHBondContact O-OG1 3.48Å; Q1025-S1042 PolarHBondContact N-O 3.01Å; Q1025-S1042 WeakPolarHBondContact O-CB 3.46Å; Q1025-S1042 PolarHBondContact O-N 2.77Å |
| 1026 | G | 81.9 | Confident | 76.1 | Confident | 61 Ų | 61 | 48.5 Ų | 48.5 | 63% | 0.629 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 71.6 | 170.1 | -174 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1041 | G1026-T1041 PolarHBondContact O-OG1 2.9Å |
| 1027 | S | 88.2 | Confident | 78.5 | Confident | 26 Ų | 26 | 45.3 Ų | 45.3 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 109.3 | 177.6 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | H1009 G1010 L1039 | H1009-S1027 WeakPolarHBondContact CA-O 3.21Å; G1010-S1027 PolarHBondContact N-O 2.8Å; G1010-S1027 VanDerWaalsContact N-O 3.08Å; G1010-S1027 VanDerWaalsContact O-CB 3.24Å; G1010-S1027 WeakPolarHBondContact O-CB 3.18Å; G1010-S1027 PolarHBondContact O-OG 2.98Å; S1027-L1039 WeakPolarHBondContact OG-CD1 3.42Å |
| 1028 | V | 95.4 | Very high | 81.2 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 109.8 | 175.4 | 177.4 | 0 | 0 | 0 | 0 | 108.8 | E958 L960 L966 F1007 L1039 V1040 | E958-V1028 HydrophobicContact CB-CG1 4.22Å; E958-V1028 HydrophobicContact CG-CG1 3.83Å; E958-V1028 HydrophobicContact CG-CG2 3.97Å; L960-V1028 HydrophobicContact CD2-CB 4.42Å; L960-V1028 HydrophobicContact CD2-CG2 3.83Å; L966-V1028 HydrophobicContact CD2-CG1 4.3Å; F1007-V1028 HydrophobicContact CB-CG1 3.98Å; F1007-V1028 HydrophobicContact CD1-CG1 3.74Å; F1007-V1028 HydrophobicContact CG-CG1 4.18Å; V1028-L1039 WeakPolarHBondContact O-CA 3.46Å; V1028-V1040 PolarHBondContact N-O 2.93Å; V1028-V1040 PolarHBondContact O-N 3.27Å |
| 1029 | L | 96.1 | Very high | 83.7 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 147.9 | 170.3 | -61.3 | 173.6 | 0 | 0 | 0 | 109.7 | M362 V364 L375 F1007 C1008 L1012 G1038 L1039 | M362-L1029 HydrophobicContact CE-CB 4.05Å; M362-L1029 VanDerWaalsContact CE-O 3.26Å; M362-L1029 WeakPolarHBondContact CE-O 3.35Å; V364-L1029 HydrophobicContact CG2-CD1 3.81Å; L375-L1029 HydrophobicContact CD1-CD1 4.31Å; F1007-L1029 CarbonylContact C-O 3.55Å; F1007-L1029 WeakPolarHBondContact CA-O 3.18Å; C1008-L1029 PolarHBondContact N-O 3.37Å; C1008-L1029 PolarHBondContact O-N 3.42Å; L1012-L1029 HydrophobicContact CG-CD1 4.3Å; L1029-G1038 CarbonylContact C-O 3.44Å; L1029-G1038 WeakPolarHBondContact CA-O 3.43Å; L1029-L1039 HydrophobicContact CD2-CB 4.31Å; L1029-L1039 HydrophobicContact CD2-CD1 3.95Å |
| 1030 | F | 98.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.8 | 170.6 | 60.5 | -97.6 | 0 | 0 | 0 | 112.1 | V6 L1000 V1004 V1006 F1007 T1032 M1036 I1037 G1038 L1039 V1040 | V6-F1030 HydrophobicContact CG2-CE1 3.97Å; V6-F1030 HydrophobicContact CG2-CZ 4.01Å; L1000-F1030 HydrophobicContact CD1-CZ 4.23Å; L1000-F1030 HydrophobicContact CD2-CD2 4.4Å; L1000-F1030 HydrophobicContact CD2-CE2 3.64Å; L1000-F1030 HydrophobicContact CD2-CZ 3.97Å; V1004-F1030 HydrophobicContact CG1-CB 3.76Å; V1004-F1030 HydrophobicContact CG1-CD2 4.45Å; V1004-F1030 HydrophobicContact CG1-CG 4.37Å; V1004-F1030 HydrophobicContact CG2-CB 4.5Å; V1004-F1030 HydrophobicContact CG2-CD2 3.68Å; V1004-F1030 HydrophobicContact CG2-CE2 4.14Å; V1004-F1030 HydrophobicContact CG2-CG 4.25Å; V1006-F1030 VanDerWaalsContact O-CA 3.26Å; V1006-F1030 WeakPolarHBondContact O-CA 3.16Å; F1007-F1030 HydrophobicContact CD1-CB 3.54Å; F1007-F1030 HydrophobicContact CE1-CB 3.6Å; F1007-F1030 HydrophobicContact CE1-CD1 4.32Å; F1007-F1030 HydrophobicContact CE1-CG 4.24Å; F1030-T1032 HydrophobicContact CD2-CG2 4.13Å; F1030-T1032 HydrophobicContact CE2-CG2 4.34Å; F1030-M1036 HydrophobicContact CE2-CE 4.28Å; F1030-M1036 HydrophobicContact CE2-SD 4.16Å; F1030-I1037 WeakPolarHBondContact O-CA 3.38Å; F1030-G1038 VanDerWaalsContact CD1-C 3.49Å; F1030-G1038 WeakPolarHBondContact CD1-O 3.48Å; F1030-G1038 PolarHBondContact N-O 3.45Å; F1030-G1038 PolarHBondContact O-N 3.1Å; F1030-L1039 VanDerWaalsContact CE1-N 3.35Å; F1030-V1040 HydrophobicContact CD1-CG2 3.98Å; F1030-V1040 HydrophobicContact CE1-CG2 3.78Å |
| 1031 | G | 98.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 149.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | N1005 V1006 | N1005-G1031 PolarHBondContact N-O 2.87Å; N1005-G1031 PolarHBondContact OD1-O 3Å; N1005-G1031 VanDerWaalsContact OD1-O 3.13Å; V1006-G1031 PolarHBondContact O-N 2.83Å; V1006-G1031 VanDerWaalsContact O-N 3.09Å |
| 1032 | T | 98.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 161.6 | 179.2 | 88.6 | 0 | 0 | 0 | 0 | 112.7 | I359 E1002 F1003 V1004 F1030 N1034 G1035 M1036 | I359-T1032 PolarHBondContact N-O 2.93Å; E1002-T1032 HydrophobicContact CB-CG2 3.89Å; E1002-T1032 PolarHBondContact OE2-OG1 2.99Å; F1003-T1032 VanDerWaalsContact O-CA 3.27Å; F1003-T1032 WeakPolarHBondContact O-CA 3.42Å; F1003-T1032 WeakPolarHBondContact O-CB 3.3Å; V1004-T1032 HydrophobicContact CG2-CG2 4.1Å; F1030-T1032 HydrophobicContact CD2-CG2 4.13Å; F1030-T1032 HydrophobicContact CE2-CG2 4.34Å; T1032-N1034 PolarHBondContact O-N 2.87Å; T1032-N1034 VanDerWaalsContact O-N 3.16Å; T1032-N1034 PolarHBondContact OG1-N 3.16Å; T1032-G1035 PolarHBondContact O-N 3.42Å; T1032-M1036 HydrophobicContact CG2-CB 3.81Å; T1032-M1036 HydrophobicContact CG2-CG 4.38Å; T1032-M1036 HydrophobicContact CG2-SD 3.96Å; T1032-M1036 PolarHBondContact N-O 3.33Å; T1032-M1036 WeakPolarHBondContact OG1-CB 3.38Å; T1032-M1036 PolarHBondContact OG1-N 3.33Å |
| 1033 | V | 97.4 | Very high | 91.9 | Very high | 27 Ų | 27 | 17.2 Ų | 17.2 | 16% | 0.164 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -17.4 | 175.2 | -56.2 | 0 | 0 | 0 | 0 | 114 | P358 F1003 | P358-V1033 VanDerWaalsContact CA-O 3.31Å; P358-V1033 WeakPolarHBondContact CA-O 3.25Å; P358-V1033 HydrophobicContact CB-CB 4.4Å; F1003-V1033 HydrophobicContact CB-CG1 4.1Å; F1003-V1033 HydrophobicContact CB-CG2 3.65Å; F1003-V1033 HydrophobicContact CD1-CG1 3.64Å; F1003-V1033 HydrophobicContact CE1-CG1 4.44Å; F1003-V1033 HydrophobicContact CG-CG1 4.18Å; F1003-V1033 HydrophobicContact CG-CG2 4.48Å; F1003-V1033 PolarHBondContact O-N 3.03Å; F1003-V1033 VanDerWaalsContact O-N 3.15Å |
| 1034 | N | 97.8 | Very high | 93 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 11.3 | 176.8 | -56.5 | -53.4 | 0 | 0 | 0 | 112.1 | P12 T13 A14 N36 R327 E1002 T1032 M1036 | P12-N1034 HydrophobicContact CB-CB 4.16Å; T13-N1034 PolarHBondContact N-O 2.93Å; A14-N1034 HydrophobicContact CB-CB 4.16Å; A14-N1034 WeakPolarHBondContact CB-O 3.34Å; A14-N1034 PolarHBondContact N-O 3.01Å; N36-N1034 HydrophobicContact CB-CB 4.41Å; N36-N1034 VanDerWaalsContact CG-ND2 3.33Å; N36-N1034 PolarHBondContact ND2-ND2 2.89Å; R327-N1034 PolarHBondContact NH1-OD1 2.72Å; R327-N1034 PolarHBondContact NH2-OD1 2.82Å; E1002-N1034 WeakPolarHBondContact OE2-CB 3.42Å; E1002-N1034 PolarHBondContact OE2-ND2 2.81Å; T1032-N1034 PolarHBondContact O-N 2.87Å; T1032-N1034 VanDerWaalsContact O-N 3.16Å; T1032-N1034 PolarHBondContact OG1-N 3.16Å; N1034-M1036 VanDerWaalsContact C-N 3.32Å; N1034-M1036 PolarHBondContact O-N 3.16Å |
| 1035 | G | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 74.8 | 20.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | T13 T1032 | T13-G1035 PolarHBondContact OG1-O 2.84Å; T1032-G1035 PolarHBondContact O-N 3.42Å |
| 1036 | M | 96.9 | Very high | 94 | Very high | 7 Ų | 7 | 19.3 Ų | 19.3 | 3% | 0.034 | 13% | 0.129 | C | C | . | . | trans | -80.5 | 141.8 | 170.2 | -177.2 | -153.4 | -175.2 | 0 | 0 | 109.3 | T8 Q10 P12 L1000 E1002 F1030 T1032 N1034 | T8-M1036 HydrophobicContact CG2-CE 3.57Å; T8-M1036 HydrophobicContact CG2-CG 4.01Å; T8-M1036 WeakPolarHBondContact OG1-CE 3.48Å; Q10-M1036 WeakPolarHBondContact O-CA 3.37Å; Q10-M1036 WeakPolarHBondContact O-CG 3.33Å; P12-M1036 HydrophobicContact CB-CB 4.5Å; P12-M1036 HydrophobicContact CG-CB 4.09Å; P12-M1036 HydrophobicContact CG-CG 4.36Å; L1000-M1036 HydrophobicContact CD1-CE 4.45Å; E1002-M1036 HydrophobicContact CB-SD 4.14Å; E1002-M1036 HydrophobicContact CG-SD 3.59Å; E1002-M1036 VanDerWaalsContact CG-SD 3.59Å; F1030-M1036 HydrophobicContact CE2-CE 4.28Å; F1030-M1036 HydrophobicContact CE2-SD 4.16Å; T1032-M1036 HydrophobicContact CG2-CB 3.81Å; T1032-M1036 HydrophobicContact CG2-CG 4.38Å; T1032-M1036 HydrophobicContact CG2-SD 3.96Å; T1032-M1036 PolarHBondContact N-O 3.33Å; T1032-M1036 WeakPolarHBondContact OG1-CB 3.38Å; T1032-M1036 PolarHBondContact OG1-N 3.33Å; N1034-M1036 VanDerWaalsContact C-N 3.32Å; N1034-M1036 PolarHBondContact O-N 3.16Å | ||
| 1037 | I | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 126.7 | 166 | -60.6 | 160.3 | 0 | 0 | 0 | 107.2 | A9 Q10 L356 I359 L375 I390 F1030 | A9-I1037 HydrophobicContact CB-CG2 4.22Å; A9-I1037 PolarHBondContact N-O 3.49Å; Q10-I1037 HydrophobicContact CB-CB 3.92Å; Q10-I1037 HydrophobicContact CB-CD1 4.1Å; Q10-I1037 HydrophobicContact CB-CG1 4.25Å; Q10-I1037 PolarHBondContact N-O 2.7Å; Q10-I1037 PolarHBondContact O-N 3.1Å; L356-I1037 HydrophobicContact CD1-CD1 3.78Å; L356-I1037 HydrophobicContact CD1-CG1 4.46Å; I359-I1037 HydrophobicContact CD1-CD1 4.39Å; I359-I1037 HydrophobicContact CD1-CG1 3.74Å; L375-I1037 HydrophobicContact CD2-CD1 3.69Å; L375-I1037 HydrophobicContact CD2-CG1 4.2Å; L375-I1037 HydrophobicContact CD2-CG2 4.11Å; I390-I1037 HydrophobicContact CD1-CD1 3.36Å; F1030-I1037 WeakPolarHBondContact O-CA 3.38Å |
| 1038 | G | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 174.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V7 L1029 F1030 | V7-G1038 CarbonylContact O-C 3.58Å; V7-G1038 WeakPolarHBondContact O-CA 3.35Å; L1029-G1038 CarbonylContact C-O 3.44Å; L1029-G1038 WeakPolarHBondContact CA-O 3.43Å; F1030-G1038 VanDerWaalsContact CD1-C 3.49Å; F1030-G1038 WeakPolarHBondContact CD1-O 3.48Å; F1030-G1038 PolarHBondContact N-O 3.45Å; F1030-G1038 PolarHBondContact O-N 3.1Å |
| 1039 | L | 94.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 136.4 | -175.4 | 171.7 | 70 | 0 | 0 | 0 | 109.4 | V6 V7 S1027 V1028 L1029 F1030 I1139 H1140 | V6-L1039 VanDerWaalsContact CA-O 3.31Å; V6-L1039 WeakPolarHBondContact CA-O 3.41Å; V7-L1039 HydrophobicContact CG1-CB 4.03Å; V7-L1039 HydrophobicContact CG1-CD2 4.23Å; V7-L1039 PolarHBondContact N-O 2.93Å; V7-L1039 PolarHBondContact O-N 2.91Å; S1027-L1039 WeakPolarHBondContact OG-CD1 3.42Å; V1028-L1039 WeakPolarHBondContact O-CA 3.46Å; L1029-L1039 HydrophobicContact CD2-CB 4.31Å; L1029-L1039 HydrophobicContact CD2-CD1 3.95Å; F1030-L1039 VanDerWaalsContact CE1-N 3.35Å; L1039-I1139 HydrophobicContact CD2-CB 4.38Å; L1039-I1139 HydrophobicContact CD2-CD1 3.81Å; L1039-I1139 HydrophobicContact CD2-CG1 3.58Å; L1039-H1140 HydrophobicContact CD2-CB 4.23Å |
| 1040 | V | 96.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 129.6 | 163.7 | -179 | 0 | 0 | 0 | 0 | 109 | N4 Y5 V6 L960 L966 L974 V1028 F1030 F1088 | N4-V1040 HydrophobicContact CB-CG1 4.39Å; Y5-V1040 WeakPolarHBondContact O-CA 3.41Å; V6-V1040 HydrophobicContact CB-CG2 4.41Å; V6-V1040 HydrophobicContact CG2-CG2 4.19Å; L960-V1040 HydrophobicContact CD2-CG1 4.35Å; L966-V1040 HydrophobicContact CD2-CB 4.19Å; L966-V1040 HydrophobicContact CD2-CG1 4.32Å; L966-V1040 HydrophobicContact CD2-CG2 4.06Å; L974-V1040 HydrophobicContact CD1-CG2 4.29Å; V1028-V1040 PolarHBondContact N-O 2.93Å; V1028-V1040 PolarHBondContact O-N 3.27Å; F1030-V1040 HydrophobicContact CD1-CG2 3.98Å; F1030-V1040 HydrophobicContact CE1-CG2 3.78Å; V1040-F1088 HydrophobicContact CG1-CE1 4.23Å |
| 1041 | T | 93.5 | Very high | 94 | Very high | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 153.9 | 174 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | N4 Y5 T1024 Q1025 G1026 I1139 | N4-T1041 CarbonylContact C-O 3.57Å; N4-T1041 WeakPolarHBondContact CA-O 3.46Å; Y5-T1041 HydrophobicContact CD1-CG2 4.09Å; Y5-T1041 HydrophobicContact CG-CG2 4.46Å; Y5-T1041 PolarHBondContact N-O 2.9Å; Y5-T1041 PolarHBondContact O-N 3.46Å; T1024-T1041 VanDerWaalsContact CB-OG1 3.3Å; T1024-T1041 WeakPolarHBondContact CB-OG1 3.19Å; T1024-T1041 HydrophobicContact CG2-CG2 3.52Å; Q1025-T1041 PolarHBondContact O-OG1 3.48Å; G1026-T1041 PolarHBondContact O-OG1 2.9Å; T1041-I1139 HydrophobicContact CG2-CD1 4.16Å |
| 1042 | S | 92.6 | Very high | 93.9 | Very high | 20 Ų | 20 | 25.4 Ų | 25.4 | 14% | 0.14 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 148.6 | 173.2 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | Y3 T1024 Q1025 | Y3-S1042 CarbonylContact O-C 3.47Å; Y3-S1042 WeakPolarHBondContact O-CA 3.12Å; T1024-S1042 CarbonylContact C-O 3.6Å; T1024-S1042 VanDerWaalsContact CA-O 3.31Å; T1024-S1042 WeakPolarHBondContact CA-O 3.48Å; Q1025-S1042 PolarHBondContact N-O 3.01Å; Q1025-S1042 WeakPolarHBondContact O-CB 3.46Å; Q1025-S1042 PolarHBondContact O-N 2.77Å |
| 1043 | L | 91.7 | Very high | 93.7 | Very high | 10 Ų | 10 | 28.2 Ų | 28.2 | 5% | 0.052 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 156.5 | 176.2 | -67 | 175.1 | 0 | 0 | 0 | 110 | Y3 Y5 T1024 Y1048 L1051 I1089 | Y3-L1043 WeakPolarHBondContact CB-O 3.34Å; Y3-L1043 PolarHBondContact O-N 3.32Å; Y5-L1043 HydrophobicContact CD2-CD1 4.4Å; T1024-L1043 HydrophobicContact CG2-CD2 3.76Å; L1043-Y1048 HydrophobicContact CD1-CD2 4.41Å; L1043-L1051 HydrophobicContact CD1-CD1 3.76Å; L1043-L1051 HydrophobicContact CD2-CD1 4.49Å; L1043-I1089 HydrophobicContact CD1-CG1 4.12Å |
| 1044 | S | 89.8 | Confident | 93.5 | Very high | 44 Ų | 44 | 26.9 Ų | 26.9 | 31% | 0.308 | 15% | 0.146 | S | C | . | . | trans | -68.5 | 156.5 | 162 | 78 | 0 | 0 | 0 | 0 | 110.7 | S1046 W1047 Y1048 | S1044-S1046 VanDerWaalsContact C-N 3.25Å; S1044-S1046 PolarHBondContact O-N 3.34Å; S1044-S1046 PolarHBondContact OG-OG 3.01Å; S1044-W1047 PolarHBondContact O-N 2.87Å; S1044-W1047 PolarHBondContact OG-N 2.94Å; S1044-Y1048 WeakPolarHBondContact O-CB 3.37Å; S1044-Y1048 PolarHBondContact O-N 2.71Å | ||
| 1045 | E | 90.5 | Very high | 93.4 | Very high | 112 Ų | 112 | 27.6 Ų | 27.6 | 52% | 0.523 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -57 | -38.7 | 176.1 | -178.9 | 175.4 | -171.8 | 0 | 0 | 112.6 | Y3 N1049 | Y3-E1045 HydrophobicContact CD2-CB 4.09Å; Y3-E1045 HydrophobicContact CE1-CG 4.25Å; Y3-E1045 HydrophobicContact CE2-CB 3.6Å; Y3-E1045 HydrophobicContact CE2-CG 3.95Å; Y3-E1045 PolarHBondContact OH-OE1 3.36Å; E1045-N1049 WeakPolarHBondContact CG-ND2 3.32Å; E1045-N1049 WeakPolarHBondContact O-CB 3.33Å; E1045-N1049 PolarHBondContact O-N 2.96Å; E1045-N1049 PolarHBondContact O-ND2 2.73Å |
| 1046 | S | 88.2 | Confident | 93.3 | Very high | 81 Ų | 81 | 31.2 Ų | 31.2 | 57% | 0.566 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -62.9 | -46.9 | 178.6 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | S1044 L1050 | S1044-S1046 VanDerWaalsContact C-N 3.25Å; S1044-S1046 PolarHBondContact O-N 3.34Å; S1044-S1046 PolarHBondContact OG-OG 3.01Å; S1046-L1050 PolarHBondContact O-N 2.84Å; S1046-L1050 VanDerWaalsContact O-N 3.16Å |
| 1047 | W | 89 | Confident | 93.2 | Very high | 53 Ų | 53 | 33.2 Ų | 33.2 | 20% | 0.201 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.2 | -42.6 | 178.1 | -82.1 | 110.5 | 0 | 0 | 0 | 112 | P1023 S1044 N1049 L1050 L1051 V1132 | P1023-W1047 HydrophobicContact CB-CB 4.29Å; P1023-W1047 HydrophobicContact CB-CD2 3.48Å; P1023-W1047 VanDerWaalsContact CB-CD2 3.48Å; P1023-W1047 HydrophobicContact CB-CE3 4.24Å; P1023-W1047 HydrophobicContact CB-CG 3.47Å; P1023-W1047 VanDerWaalsContact CB-CG 3.47Å; P1023-W1047 HydrophobicContact CB-CZ2 3.98Å; P1023-W1047 VanDerWaalsContact CB-NE1 3.28Å; P1023-W1047 HydrophobicContact CG-CD2 4.02Å; P1023-W1047 HydrophobicContact CG-CE3 4.28Å; P1023-W1047 HydrophobicContact CG-CG 4.33Å; P1023-W1047 HydrophobicContact CG-CZ2 4.38Å; S1044-W1047 PolarHBondContact O-N 2.87Å; S1044-W1047 PolarHBondContact OG-N 2.94Å; W1047-N1049 PolarHBondContact O-N 2.99Å; W1047-L1050 HydrophobicContact CE3-CD2 3.93Å; W1047-L1050 HydrophobicContact CZ3-CD2 3.85Å; W1047-L1050 PolarHBondContact O-N 3.21Å; W1047-L1051 WeakPolarHBondContact O-CB 3.42Å; W1047-L1051 WeakPolarHBondContact O-CG 3.49Å; W1047-L1051 PolarHBondContact O-N 3.32Å; W1047-V1132 HydrophobicContact CH2-CG1 4.32Å; W1047-V1132 HydrophobicContact CH2-CG2 3.94Å; W1047-V1132 HydrophobicContact CZ3-CB 4.38Å; W1047-V1132 HydrophobicContact CZ3-CG1 3.61Å; W1047-V1132 HydrophobicContact CZ3-CG2 3.89Å |
| 1048 | Y | 93 | Very high | 93.1 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.9 | -47.1 | 175.9 | 179.9 | -89.3 | 0 | 0 | 0 | 112.2 | Y3 L1043 S1044 L1050 L1051 L1052 G1087 I1089 | 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 3.86Å; Y3-Y1048 HydrophobicContact CD1-CD2 3.86Å; Y3-Y1048 AromaticContact CD1-CE1 3.87Å; Y3-Y1048 HydrophobicContact CD1-CE1 3.87Å; Y3-Y1048 HydrophobicContact CD1-CE2 4.27Å; Y3-Y1048 AromaticContact CD1-CG 3.42Å; Y3-Y1048 HydrophobicContact CD1-CG 3.42Å; Y3-Y1048 VanDerWaalsContact CD1-CG 3.42Å; Y3-Y1048 AromaticContact CE1-CD1 3.93Å; Y3-Y1048 HydrophobicContact CE1-CD1 3.93Å; Y3-Y1048 HydrophobicContact CE1-CE1 4.29Å; Y3-Y1048 HydrophobicContact CE1-CG 4.34Å; Y3-Y1048 HydrophobicContact CG-CD1 4.38Å; Y3-Y1048 HydrophobicContact CG-CD2 4.25Å; Y3-Y1048 AromaticContact CG-CG 3.96Å; Y3-Y1048 HydrophobicContact CG-CG 3.96Å; L1043-Y1048 HydrophobicContact CD1-CD2 4.41Å; S1044-Y1048 WeakPolarHBondContact O-CB 3.37Å; S1044-Y1048 PolarHBondContact O-N 2.71Å; Y1048-L1050 PolarHBondContact O-N 2.73Å; Y1048-L1051 PolarHBondContact O-N 2.88Å; Y1048-L1052 HydrophobicContact CE1-CD2 3.99Å; Y1048-L1052 VanDerWaalsContact O-CB 3.27Å; Y1048-L1052 WeakPolarHBondContact O-CB 3.45Å; Y1048-L1052 PolarHBondContact O-N 3.43Å; Y1048-G1087 WeakPolarHBondContact OH-CA 3.33Å; Y1048-G1087 PolarHBondContact OH-N 3.39Å; Y1048-I1089 HydrophobicContact CD2-CD1 3.89Å; Y1048-I1089 HydrophobicContact CD2-CG1 3.64Å; Y1048-I1089 HydrophobicContact CE2-CD1 3.71Å; Y1048-I1089 HydrophobicContact CE2-CG1 3.75Å; Y1048-I1089 HydrophobicContact CG-CD1 4.43Å; Y1048-I1089 HydrophobicContact CG-CG1 4.45Å |
| 1049 | N | 92.5 | Very high | 92.9 | Very high | 81 Ų | 81 | 35.3 Ų | 35.3 | 43% | 0.433 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65.1 | -39.1 | 179.7 | -75.7 | -48 | 0 | 0 | 0 | 112.7 | E1045 W1047 D1053 | E1045-N1049 WeakPolarHBondContact CG-ND2 3.32Å; E1045-N1049 WeakPolarHBondContact O-CB 3.33Å; E1045-N1049 PolarHBondContact O-N 2.96Å; E1045-N1049 PolarHBondContact O-ND2 2.73Å; W1047-N1049 PolarHBondContact O-N 2.99Å; N1049-D1053 PolarHBondContact O-N 3.14Å; N1049-D1053 VanDerWaalsContact O-N 3.13Å |
| 1050 | L | 91.3 | Very high | 92.7 | Very high | 24 Ų | 24 | 43.2 Ų | 43.2 | 13% | 0.126 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -50.5 | 174.6 | 173.9 | 66.1 | 0 | 0 | 0 | 111 | S1046 W1047 Y1048 L1052 D1053 M1054 L1112 Y1114 | S1046-L1050 PolarHBondContact O-N 2.84Å; S1046-L1050 VanDerWaalsContact O-N 3.16Å; W1047-L1050 HydrophobicContact CE3-CD2 3.93Å; W1047-L1050 HydrophobicContact CZ3-CD2 3.85Å; W1047-L1050 PolarHBondContact O-N 3.21Å; Y1048-L1050 PolarHBondContact O-N 2.73Å; L1050-L1052 VanDerWaalsContact C-N 3.31Å; L1050-L1052 PolarHBondContact O-N 2.98Å; L1050-D1053 PolarHBondContact O-N 3.47Å; L1050-M1054 PolarHBondContact O-N 2.92Å; L1050-L1112 HydrophobicContact CD1-CD1 4.37Å; L1050-L1112 HydrophobicContact CD1-CD2 4.25Å; L1050-L1112 HydrophobicContact CD1-CG 4.36Å; L1050-Y1114 HydrophobicContact CD1-CD2 4.24Å; L1050-Y1114 HydrophobicContact CD2-CD2 3.67Å; L1050-Y1114 HydrophobicContact CD2-CE2 3.9Å |
| 1051 | L | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.4 | -31.9 | -178.5 | -65.5 | 175.3 | 0 | 0 | 0 | 112.1 | Y5 L1043 W1047 Y1048 M1054 Q1055 I1089 I1094 V1132 L1136 | Y5-L1051 HydrophobicContact CD2-CD1 4.22Å; Y5-L1051 HydrophobicContact CE2-CD1 4.45Å; L1043-L1051 HydrophobicContact CD1-CD1 3.76Å; L1043-L1051 HydrophobicContact CD2-CD1 4.49Å; W1047-L1051 WeakPolarHBondContact O-CB 3.42Å; W1047-L1051 WeakPolarHBondContact O-CG 3.49Å; W1047-L1051 PolarHBondContact O-N 3.32Å; Y1048-L1051 PolarHBondContact O-N 2.88Å; L1051-M1054 HydrophobicContact CD2-SD 4.45Å; L1051-M1054 PolarHBondContact O-N 3.06Å; L1051-Q1055 VanDerWaalsContact O-CB 3.3Å; L1051-Q1055 WeakPolarHBondContact O-CB 3.33Å; L1051-Q1055 PolarHBondContact O-N 2.74Å; L1051-I1089 HydrophobicContact CB-CD1 4.32Å; L1051-I1089 HydrophobicContact CB-CG1 4.15Å; L1051-I1089 HydrophobicContact CB-CG2 3.89Å; L1051-I1089 HydrophobicContact CD1-CG2 4.45Å; L1051-I1094 HydrophobicContact CD2-CD1 4.44Å; L1051-I1094 HydrophobicContact CD2-CG2 4.29Å; L1051-V1132 HydrophobicContact CD2-CG1 4.25Å; L1051-L1136 HydrophobicContact CD1-CD1 3.94Å; L1051-L1136 HydrophobicContact CD2-CD1 3.81Å |
| 1052 | L | 94.8 | Very high | 92.2 | Very high | 51 Ų | 51 | 45.8 Ų | 45.8 | 27% | 0.267 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.3 | -43.4 | 174.1 | -175.9 | 60 | 0 | 0 | 0 | 111.9 | Y1048 L1050 M1054 Q1055 N1056 I1089 | Y1048-L1052 HydrophobicContact CE1-CD2 3.99Å; Y1048-L1052 VanDerWaalsContact O-CB 3.27Å; Y1048-L1052 WeakPolarHBondContact O-CB 3.45Å; Y1048-L1052 PolarHBondContact O-N 3.43Å; L1050-L1052 VanDerWaalsContact C-N 3.31Å; L1050-L1052 PolarHBondContact O-N 2.98Å; L1052-M1054 VanDerWaalsContact C-N 3.35Å; L1052-Q1055 PolarHBondContact O-N 2.97Å; L1052-N1056 WeakPolarHBondContact O-CB 3.37Å; L1052-N1056 VanDerWaalsContact O-CG 3.26Å; L1052-N1056 PolarHBondContact O-N 3.25Å; L1052-N1056 PolarHBondContact O-ND2 2.77Å; L1052-I1089 HydrophobicContact CB-CD1 3.81Å; L1052-I1089 HydrophobicContact CD1-CD1 4.17Å |
| 1053 | D | 94.2 | Very high | 91.8 | Very high | 58 Ų | 58 | 53.9 Ų | 53.9 | 31% | 0.31 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 174.9 | -165.9 | 13.4 | 0 | 0 | 0 | 110.5 | N1049 L1050 Q1055 N1056 R1057 L1112 | N1049-D1053 PolarHBondContact O-N 3.14Å; N1049-D1053 VanDerWaalsContact O-N 3.13Å; L1050-D1053 PolarHBondContact O-N 3.47Å; D1053-Q1055 PolarHBondContact O-N 2.93Å; D1053-N1056 PolarHBondContact O-N 2.86Å; D1053-R1057 VanDerWaalsContact O-CD 3.3Å; D1053-R1057 WeakPolarHBondContact O-CD 3.45Å; D1053-R1057 VanDerWaalsContact O-CG 3.26Å; D1053-R1057 WeakPolarHBondContact O-CG 3.29Å; D1053-R1057 PolarHBondContact O-N 2.89Å; D1053-R1057 VanDerWaalsContact O-N 3.08Å; D1053-R1057 IonicContact OD1-CZ 3.24Å; D1053-R1057 IonicContact OD1-NE 3.45Å; D1053-R1057 PolarHBondContact OD1-NE 2.88Å; D1053-R1057 IonicContact OD1-NH2 3.86Å; D1053-R1057 IonicContact OD2-CZ 2.97Å; D1053-R1057 IonicContact OD2-NE 3.87Å; D1053-R1057 PolarHBondContact OD2-NE 2.81Å; D1053-R1057 IonicContact OD2-NH2 2.65Å; D1053-R1057 PolarHBondContact OD2-NH2 3.47Å; D1053-L1112 HydrophobicContact CB-CD1 3.86Å; D1053-L1112 WeakPolarHBondContact OD2-CD1 3.4Å |
| 1054 | M | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.9 | -48.2 | 174.1 | -178.7 | 172.8 | 176.7 | 0 | 0 | 112.4 | L1050 L1051 L1052 N1056 R1057 L1058 I1094 F1097 L1129 V1133 | L1050-M1054 PolarHBondContact O-N 2.92Å; L1051-M1054 HydrophobicContact CD2-SD 4.45Å; L1051-M1054 PolarHBondContact O-N 3.06Å; L1052-M1054 VanDerWaalsContact C-N 3.35Å; M1054-N1056 VanDerWaalsContact C-N 3.35Å; M1054-N1056 PolarHBondContact O-N 2.85Å; M1054-R1057 PolarHBondContact O-N 2.95Å; M1054-R1057 VanDerWaalsContact O-N 3.15Å; M1054-L1058 HydrophobicContact CE-CD1 3.93Å; M1054-L1058 HydrophobicContact CG-CD1 3.86Å; M1054-L1058 HydrophobicContact CG-CG 4.47Å; M1054-L1058 WeakPolarHBondContact O-CG 3.22Å; M1054-L1058 PolarHBondContact O-N 2.77Å; M1054-I1094 HydrophobicContact CB-CD1 4.27Å; M1054-I1094 HydrophobicContact CE-CG2 4.26Å; M1054-I1094 HydrophobicContact CG-CD1 4.02Å; M1054-I1094 HydrophobicContact SD-CD1 4.24Å; M1054-I1094 HydrophobicContact SD-CG2 4.39Å; M1054-F1097 HydrophobicContact CE-CB 3.44Å; M1054-F1097 VanDerWaalsContact CE-CB 3.44Å; M1054-F1097 HydrophobicContact CE-CD1 3.76Å; M1054-F1097 HydrophobicContact CE-CD2 3.89Å; M1054-F1097 HydrophobicContact CE-CE1 4.47Å; M1054-F1097 HydrophobicContact CE-CG 3.42Å; M1054-F1097 VanDerWaalsContact CE-CG 3.42Å; M1054-L1129 HydrophobicContact CE-CD1 4.38Å; M1054-L1129 HydrophobicContact CG-CD1 4.5Å; M1054-L1129 HydrophobicContact SD-CD1 4.14Å; M1054-L1129 HydrophobicContact SD-CD2 4.28Å; M1054-V1133 HydrophobicContact CE-CG2 3.44Å; M1054-V1133 VanDerWaalsContact CE-CG2 3.44Å; M1054-V1133 HydrophobicContact SD-CG2 4.26Å |
| 1055 | Q | 95.3 | Very high | 91.7 | Very high | 18 Ų | 18 | 53.7 Ų | 53.7 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.6 | -47.3 | 177.1 | -170.7 | -172.8 | -87.1 | 0 | 0 | 111.5 | L1051 L1052 D1053 R1057 L1058 N1059 L1093 I1094 | L1051-Q1055 VanDerWaalsContact O-CB 3.3Å; L1051-Q1055 WeakPolarHBondContact O-CB 3.33Å; L1051-Q1055 PolarHBondContact O-N 2.74Å; L1052-Q1055 PolarHBondContact O-N 2.97Å; D1053-Q1055 PolarHBondContact O-N 2.93Å; Q1055-R1057 PolarHBondContact O-N 2.92Å; Q1055-L1058 PolarHBondContact O-N 3.33Å; Q1055-N1059 WeakPolarHBondContact O-CB 3.39Å; Q1055-N1059 PolarHBondContact O-N 3.13Å; Q1055-N1059 PolarHBondContact O-ND2 3.36Å; Q1055-L1093 HydrophobicContact CG-CD2 3.56Å; Q1055-L1093 HydrophobicContact CG-CG 4.42Å; Q1055-I1094 HydrophobicContact CB-CD1 4.09Å |
| 1056 | N | 94.8 | Very high | 91.8 | Very high | 75 Ų | 75 | 48.5 Ų | 48.5 | 40% | 0.401 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.1 | -30.1 | 179.8 | -72.6 | -34 | 0 | 0 | 0 | 112.9 | L1052 D1053 M1054 | L1052-N1056 WeakPolarHBondContact O-CB 3.37Å; L1052-N1056 VanDerWaalsContact O-CG 3.26Å; L1052-N1056 PolarHBondContact O-N 3.25Å; L1052-N1056 PolarHBondContact O-ND2 2.77Å; D1053-N1056 PolarHBondContact O-N 2.86Å; M1054-N1056 VanDerWaalsContact C-N 3.35Å; M1054-N1056 PolarHBondContact O-N 2.85Å |
| 1057 | R | 94.4 | Very high | 92 | Very high | 49 Ų | 49 | 49.9 Ų | 49.9 | 19% | 0.185 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -78.8 | -43.8 | 176.4 | -68.8 | 160.4 | -178.6 | -100.4 | 14.6 | 111.4 | D1053 M1054 Q1055 N1059 K1060 V1061 V1108 A1110 N1111 | D1053-R1057 VanDerWaalsContact O-CD 3.3Å; D1053-R1057 WeakPolarHBondContact O-CD 3.45Å; D1053-R1057 VanDerWaalsContact O-CG 3.26Å; D1053-R1057 WeakPolarHBondContact O-CG 3.29Å; D1053-R1057 PolarHBondContact O-N 2.89Å; D1053-R1057 VanDerWaalsContact O-N 3.08Å; D1053-R1057 IonicContact OD1-CZ 3.24Å; D1053-R1057 IonicContact OD1-NE 3.45Å; D1053-R1057 PolarHBondContact OD1-NE 2.88Å; D1053-R1057 IonicContact OD1-NH2 3.86Å; D1053-R1057 IonicContact OD2-CZ 2.97Å; D1053-R1057 IonicContact OD2-NE 3.87Å; D1053-R1057 PolarHBondContact OD2-NE 2.81Å; D1053-R1057 IonicContact OD2-NH2 2.65Å; D1053-R1057 PolarHBondContact OD2-NH2 3.47Å; M1054-R1057 PolarHBondContact O-N 2.95Å; M1054-R1057 VanDerWaalsContact O-N 3.15Å; Q1055-R1057 PolarHBondContact O-N 2.92Å; R1057-N1059 VanDerWaalsContact C-N 3.27Å; R1057-N1059 PolarHBondContact O-N 2.83Å; R1057-K1060 WeakPolarHBondContact O-CB 3.46Å; R1057-K1060 PolarHBondContact O-N 3.04Å; R1057-V1061 PolarHBondContact O-N 2.88Å; R1057-V1108 HydrophobicContact CB-CG1 3.99Å; R1057-V1108 VanDerWaalsContact CD-O 3.3Å; R1057-V1108 WeakPolarHBondContact CD-O 3.39Å; R1057-A1110 PolarHBondContact NH1-O 3.39Å; R1057-N1111 PolarHBondContact NH2-O 2.89Å |
| 1058 | L | 94.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.7 | -43.3 | 173.1 | -78.3 | 163.6 | 0 | 0 | 0 | 111.7 | M1054 Q1055 K1060 V1061 I1062 L1093 I1094 F1097 I1100 V1108 | M1054-L1058 HydrophobicContact CE-CD1 3.93Å; M1054-L1058 HydrophobicContact CG-CD1 3.86Å; M1054-L1058 HydrophobicContact CG-CG 4.47Å; M1054-L1058 WeakPolarHBondContact O-CG 3.22Å; M1054-L1058 PolarHBondContact O-N 2.77Å; Q1055-L1058 PolarHBondContact O-N 3.33Å; L1058-K1060 PolarHBondContact O-N 2.83Å; L1058-K1060 VanDerWaalsContact O-N 3.16Å; L1058-V1061 PolarHBondContact O-N 3.04Å; L1058-V1061 VanDerWaalsContact O-N 3.08Å; L1058-I1062 HydrophobicContact CB-CD1 4.48Å; L1058-I1062 HydrophobicContact CD2-CD1 3.75Å; L1058-I1062 HydrophobicContact CD2-CG1 4.47Å; L1058-I1062 WeakPolarHBondContact O-CB 3.27Å; L1058-I1062 PolarHBondContact O-N 2.87Å; L1058-L1093 HydrophobicContact CB-CD1 4.06Å; L1058-L1093 HydrophobicContact CB-CG 4.24Å; L1058-L1093 WeakPolarHBondContact CD1-O 3.19Å; L1058-I1094 HydrophobicContact CD1-CD1 4.18Å; L1058-F1097 HydrophobicContact CD1-CB 4.31Å; L1058-F1097 HydrophobicContact CD2-CB 3.97Å; L1058-F1097 HydrophobicContact CD2-CD2 4.01Å; L1058-F1097 HydrophobicContact CD2-CG 4.49Å; L1058-I1100 HydrophobicContact CD2-CD1 4.28Å; L1058-V1108 HydrophobicContact CD2-CG1 4.42Å; L1058-V1108 HydrophobicContact CD2-CG2 4.01Å; L1058-V1108 HydrophobicContact CG-CG1 4.2Å; L1058-V1108 HydrophobicContact CG-CG2 4.41Å |
| 1059 | N | 91.9 | Very high | 92.3 | Very high | 45 Ų | 45 | 53.2 Ų | 53.2 | 24% | 0.241 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.8 | -27 | 175.3 | -82.5 | -25.5 | 0 | 0 | 0 | 114.6 | Q1055 R1057 H1070 L1093 | Q1055-N1059 WeakPolarHBondContact O-CB 3.39Å; Q1055-N1059 PolarHBondContact O-N 3.13Å; Q1055-N1059 PolarHBondContact O-ND2 3.36Å; R1057-N1059 VanDerWaalsContact C-N 3.27Å; R1057-N1059 PolarHBondContact O-N 2.83Å; N1059-H1070 PolarHBondContact ND2-ND1 3.27Å; N1059-H1070 WeakPolarHBondContact OD1-CB 3.33Å; N1059-L1093 WeakPolarHBondContact OD1-CD2 3.39Å |
| 1060 | K | 91 | Very high | 92.5 | Very high | 169 Ų | 169 | 50 Ų | 50 | 74% | 0.735 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -83.1 | -32.6 | 176.9 | -66.5 | 172.8 | -175.3 | 173.3 | 0 | 112.3 | R1057 L1058 | R1057-K1060 WeakPolarHBondContact O-CB 3.46Å; R1057-K1060 PolarHBondContact O-N 3.04Å; L1058-K1060 PolarHBondContact O-N 2.83Å; L1058-K1060 VanDerWaalsContact O-N 3.16Å |
| 1061 | V | 91.4 | Very high | 92.6 | Very high | 16 Ų | 16 | 52.7 Ų | 52.7 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -88 | -38.5 | -174.2 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | R1057 L1058 K1104 E1107 V1108 | R1057-V1061 PolarHBondContact O-N 2.88Å; L1058-V1061 PolarHBondContact O-N 3.04Å; L1058-V1061 VanDerWaalsContact O-N 3.08Å; V1061-K1104 HydrophobicContact CG1-CB 3.72Å; V1061-K1104 HydrophobicContact CG1-CD 4.12Å; V1061-K1104 HydrophobicContact CG1-CG 3.93Å; V1061-E1107 HydrophobicContact CG2-CB 4.27Å; V1061-E1107 HydrophobicContact CG2-CG 3.85Å; V1061-V1108 HydrophobicContact CB-CG2 4Å; V1061-V1108 HydrophobicContact CG1-CG2 4.23Å; V1061-V1108 HydrophobicContact CG2-CG2 3.72Å |
| 1062 | I | 88.1 | Confident | 92.7 | Very high | 44 Ų | 44 | 56.1 Ų | 56.1 | 23% | 0.226 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -91.3 | 118.6 | -178.4 | -59.6 | 178.4 | 0 | 0 | 0 | 109.1 | L1058 L1093 S1096 I1100 | L1058-I1062 HydrophobicContact CB-CD1 4.48Å; L1058-I1062 HydrophobicContact CD2-CD1 3.75Å; L1058-I1062 HydrophobicContact CD2-CG1 4.47Å; L1058-I1062 WeakPolarHBondContact O-CB 3.27Å; L1058-I1062 PolarHBondContact O-N 2.87Å; I1062-L1093 HydrophobicContact CD1-CD1 4.31Å; I1062-S1096 WeakPolarHBondContact CD1-OG 3.36Å; I1062-I1100 HydrophobicContact CD1-CG2 3.95Å; I1062-I1100 HydrophobicContact CG1-CG2 3.96Å |
| 1063 | K | 84.6 | Confident | 92.7 | Very high | 190 Ų | 190 | 54.1 Ų | 54.1 | 83% | 0.826 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -92 | 119.3 | 174.5 | -63.9 | -178.6 | -178 | 175.6 | 0 | 109 | ||
| 1064 | S | 88.6 | Confident | 92.8 | Very high | 25 Ų | 25 | 52 Ų | 52 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 149.9 | 178 | 61.3 | 0 | 0 | 0 | 0 | 112.2 | K1067 I1068 | S1064-K1067 PolarHBondContact O-N 2.86Å; S1064-K1067 VanDerWaalsContact O-N 3.1Å; S1064-I1068 WeakPolarHBondContact CB-O 3.1Å; S1064-I1068 PolarHBondContact OG-N 2.79Å; S1064-I1068 VanDerWaalsContact OG-N 3.16Å; S1064-I1068 PolarHBondContact OG-O 3.46Å |
| 1065 | V | 90.4 | Very high | 93 | Very high | 24 Ų | 24 | 52.5 Ų | 52.5 | 15% | 0.145 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -67 | 137.3 | 169.4 | 174.7 | 0 | 0 | 0 | 0 | 109.6 | V55 L89 K1067 | V55-V1065 HydrophobicContact CG1-CB 4.11Å; V55-V1065 HydrophobicContact CG1-CG1 4.25Å; V55-V1065 HydrophobicContact CG1-CG2 3.58Å; L89-V1065 HydrophobicContact CD1-CG1 3.44Å; L89-V1065 VanDerWaalsContact CD1-CG1 3.44Å; L89-V1065 HydrophobicContact CD2-CG1 3.6Å; L89-V1065 HydrophobicContact CG-CG1 4.19Å; V1065-K1067 PolarHBondContact O-N 2.85Å |
| 1066 | G | 92.5 | Very high | 93 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | 78.1 | -4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T102 H105 I1068 | T102-G1066 PolarHBondContact OG1-N 2.79Å; H105-G1066 WeakPolarHBondContact CB-O 3.37Å; G1066-I1068 PolarHBondContact O-N 2.84Å |
| 1067 | K | 92.7 | Very high | 92.9 | Very high | 109 Ų | 109 | 51.4 Ų | 51.4 | 47% | 0.474 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | 53.2 | 38.2 | -174.9 | -59.7 | 174.1 | 172.8 | -179.8 | 0 | 112.9 | T102 H105 S1064 V1065 | T102-K1067 HydrophobicContact CG2-CG 4.33Å; H105-K1067 VanDerWaalsContact CE1-CD 3.48Å; H105-K1067 WeakPolarHBondContact CE1-CD 3.48Å; H105-K1067 WeakPolarHBondContact NE2-CD 3.3Å; S1064-K1067 PolarHBondContact O-N 2.86Å; S1064-K1067 VanDerWaalsContact O-N 3.1Å; V1065-K1067 PolarHBondContact O-N 2.85Å |
| 1068 | I | 94.3 | Very high | 92.8 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | trans | -83.3 | 126.3 | 174.9 | -56.2 | 170.6 | 0 | 0 | 0 | 107.6 | M57 Y58 T81 N85 S1064 G1066 F1072 | M57-I1068 HydrophobicContact CG-CD1 4.46Å; Y58-I1068 WeakPolarHBondContact CD2-O 3.41Å; Y58-I1068 WeakPolarHBondContact O-CD1 3.38Å; Y58-I1068 WeakPolarHBondContact O-CG2 3.04Å; T81-I1068 HydrophobicContact CG2-CD1 4.15Å; N85-I1068 HydrophobicContact CB-CD1 3.61Å; N85-I1068 HydrophobicContact CB-CG1 3.88Å; S1064-I1068 WeakPolarHBondContact CB-O 3.1Å; S1064-I1068 PolarHBondContact OG-N 2.79Å; S1064-I1068 VanDerWaalsContact OG-N 3.16Å; S1064-I1068 PolarHBondContact OG-O 3.46Å; G1066-I1068 PolarHBondContact O-N 2.84Å; I1068-F1072 HydrophobicContact CG2-CD1 3.76Å; I1068-F1072 HydrophobicContact CG2-CE1 4.38Å | ||
| 1069 | E | 94.2 | Very high | 92.2 | Very high | 129 Ų | 129 | 59.7 Ų | 59.7 | 60% | 0.603 | 29% | 0.29 | S | S | * | . | trans | -66.3 | 137.2 | 179.8 | -65.4 | -64.3 | 152.8 | 0 | 0 | 111.2 | S1071 F1072 W1073 | E1069-S1071 VanDerWaalsContact C-N 3.29Å; E1069-S1071 PolarHBondContact O-N 2.79Å; E1069-F1072 HydrophobicContact CB-CB 4.08Å; E1069-F1072 WeakPolarHBondContact O-CB 3.46Å; E1069-F1072 PolarHBondContact O-N 3.24Å; E1069-W1073 PolarHBondContact O-N 2.74Å | ||
| 1070 | H | 95 | Very high | 91.9 | Very high | 13 Ų | 13 | 67.1 Ų | 67.1 | 6% | 0.06 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.7 | -41.4 | 177.5 | 176.5 | -96.1 | 0 | 0 | 0 | 112.2 | Y58 N1059 F1072 W1073 R1074 D1090 | Y58-H1070 HydrophobicContact CD2-CB 4.3Å; Y58-H1070 HydrophobicContact CE2-CB 3.74Å; Y58-H1070 AromaticContact CZ-CD2 3.85Å; N1059-H1070 PolarHBondContact ND2-ND1 3.27Å; N1059-H1070 WeakPolarHBondContact OD1-CB 3.33Å; H1070-F1072 VanDerWaalsContact C-N 3.31Å; H1070-F1072 PolarHBondContact O-N 2.82Å; H1070-W1073 WeakPolarHBondContact O-CB 3.4Å; H1070-W1073 PolarHBondContact O-N 2.81Å; H1070-W1073 VanDerWaalsContact O-N 3.15Å; H1070-R1074 WeakPolarHBondContact NE2-CG 3.28Å; H1070-R1074 PolarHBondContact O-N 3.16Å; H1070-D1090 IonicContact CD2-OD2 3.49Å; H1070-D1090 IonicContact CE1-OD2 3.67Å; H1070-D1090 IonicContact NE2-OD2 2.86Å; H1070-D1090 PolarHBondContact NE2-OD2 2.73Å |
| 1071 | S | 95.1 | Very high | 91.9 | Very high | 81 Ų | 81 | 61.5 Ų | 61.5 | 57% | 0.566 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.4 | -36.4 | 177.8 | 57.2 | 0 | 0 | 0 | 0 | 112.6 | E1069 S1075 | E1069-S1071 VanDerWaalsContact C-N 3.29Å; E1069-S1071 PolarHBondContact O-N 2.79Å; S1071-S1075 VanDerWaalsContact O-CB 3.31Å; S1071-S1075 WeakPolarHBondContact O-CB 3.46Å; S1071-S1075 PolarHBondContact O-N 3.49Å; S1071-S1075 VanDerWaalsContact O-N 3.1Å |
| 1072 | F | 95.4 | Very high | 92 | Very high | 71 Ų | 71 | 64.9 Ų | 64.9 | 31% | 0.311 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67 | -45 | 172.5 | 173.1 | -90.4 | 0 | 0 | 0 | 110.7 | K83 N85 I1068 E1069 H1070 S1075 | K83-F1072 HydrophobicContact CB-CE1 4.15Å; K83-F1072 HydrophobicContact CB-CZ 4.16Å; K83-F1072 HydrophobicContact CD-CE1 4.02Å; K83-F1072 HydrophobicContact CD-CZ 4.16Å; N85-F1072 WeakPolarHBondContact ND2-CE1 3.42Å; I1068-F1072 HydrophobicContact CG2-CD1 3.76Å; I1068-F1072 HydrophobicContact CG2-CE1 4.38Å; E1069-F1072 HydrophobicContact CB-CB 4.08Å; E1069-F1072 WeakPolarHBondContact O-CB 3.46Å; E1069-F1072 PolarHBondContact O-N 3.24Å; H1070-F1072 VanDerWaalsContact C-N 3.31Å; H1070-F1072 PolarHBondContact O-N 2.82Å; F1072-S1075 PolarHBondContact O-N 3.01Å; F1072-S1075 PolarHBondContact O-OG 3.04Å |
| 1073 | W | 94.9 | Very high | 92.4 | Very high | 9 Ų | 9 | 66 Ų | 66 | 3% | 0.034 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61 | -52.5 | -179.2 | 170 | -127.9 | 0 | 0 | 0 | 112.6 | T37 Y58 G59 H999 G1001 E1069 H1070 S1075 | T37-W1073 HydrophobicContact CG2-CH2 3.9Å; T37-W1073 HydrophobicContact CG2-CZ2 3.94Å; Y58-W1073 AromaticContact CD1-CD1 3.66Å; Y58-W1073 HydrophobicContact CD1-CG 4.32Å; Y58-W1073 HydrophobicContact CD2-CB 4.47Å; Y58-W1073 HydrophobicContact CG-CB 4.15Å; Y58-W1073 AromaticContact CG-CD1 3.77Å; Y58-W1073 HydrophobicContact CG-CG 4.01Å; G59-W1073 VanDerWaalsContact CA-CZ3 3.45Å; H999-W1073 WeakPolarHBondContact CB-O 3.28Å; H999-W1073 AromaticContact CD2-CE3 3.92Å; H999-W1073 AromaticContact CD2-CZ3 3.68Å; H999-W1073 PolarHBondContact CD2-O 3.13Å; H999-W1073 AromaticContact NE2-CZ3 3.7Å; G1001-W1073 VanDerWaalsContact CA-CH2 3.48Å; E1069-W1073 PolarHBondContact O-N 2.74Å; H1070-W1073 WeakPolarHBondContact O-CB 3.4Å; H1070-W1073 PolarHBondContact O-N 2.81Å; H1070-W1073 VanDerWaalsContact O-N 3.15Å; W1073-S1075 VanDerWaalsContact C-N 3.29Å; W1073-S1075 PolarHBondContact O-N 3.1Å |
| 1074 | R | 96.9 | Very high | 92.9 | Very high | 13 Ų | 13 | 61.4 Ų | 61.4 | 5% | 0.049 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -79.3 | -8 | -177.7 | -61.6 | -51.7 | -167.8 | -178.1 | 5 | 114.1 | F998 H999 L1000 H1070 F1076 A1085 D1090 D1092 | F998-R1074 HydrophobicContact CD2-CB 4.3Å; F998-R1074 HydrophobicContact CE2-CB 4.06Å; F998-R1074 HydrophobicContact CE2-CG 3.81Å; F998-R1074 HydrophobicContact CZ-CG 4.15Å; F998-R1074 VanDerWaalsContact CZ-CZ 3.5Å; F998-R1074 VanDerWaalsContact CZ-NE 3.32Å; H999-R1074 PolarHBondContact N-O 2.95Å; H999-R1074 WeakPolarHBondContact O-CD 3.49Å; H999-R1074 PolarHBondContact O-NH1 2.8Å; H999-R1074 VanDerWaalsContact O-NH1 3.14Å; L1000-R1074 PolarHBondContact O-NH1 2.66Å; H1070-R1074 WeakPolarHBondContact NE2-CG 3.28Å; H1070-R1074 PolarHBondContact O-N 3.16Å; R1074-F1076 PolarHBondContact O-N 3.37Å; R1074-A1085 HydrophobicContact CB-CB 4Å; R1074-A1085 WeakPolarHBondContact O-CB 3.31Å; R1074-D1090 IonicContact CZ-OD1 3.34Å; R1074-D1090 IonicContact CZ-OD2 3.82Å; R1074-D1090 VanDerWaalsContact CZ-OD2 3.31Å; R1074-D1090 IonicContact NE-OD2 3.47Å; R1074-D1090 PolarHBondContact NE-OD2 2.68Å; R1074-D1090 IonicContact NH2-OD1 3.26Å; R1074-D1090 PolarHBondContact NH2-OD1 2.81Å; R1074-D1090 VanDerWaalsContact NH2-OD1 3.12Å; R1074-D1090 IonicContact NH2-OD2 3.74Å; R1074-D1090 PolarHBondContact NH2-OD2 2.82Å; R1074-D1092 IonicContact NH2-OD2 3.7Å |
| 1075 | S | 97.1 | Very high | 93.3 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 8% | 0.077 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -57.2 | 125.5 | 175 | 65.7 | 0 | 0 | 0 | 0 | 111.1 | H999 S1071 F1072 W1073 H1077 E1083 | H999-S1075 WeakPolarHBondContact CB-O 3.33Å; S1071-S1075 VanDerWaalsContact O-CB 3.31Å; S1071-S1075 WeakPolarHBondContact O-CB 3.46Å; S1071-S1075 PolarHBondContact O-N 3.49Å; S1071-S1075 VanDerWaalsContact O-N 3.1Å; F1072-S1075 PolarHBondContact O-N 3.01Å; F1072-S1075 PolarHBondContact O-OG 3.04Å; W1073-S1075 VanDerWaalsContact C-N 3.29Å; W1073-S1075 PolarHBondContact O-N 3.1Å; S1075-H1077 PolarHBondContact O-N 2.82Å; S1075-E1083 CarbonylContact C-O 3.55Å; S1075-E1083 WeakPolarHBondContact CA-O 3.34Å; S1075-E1083 WeakPolarHBondContact CB-O 3.37Å |
| 1076 | F | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 123.2 | 174.6 | -180 | -84.7 | 0 | 0 | 0 | 108.4 | N973 F975 L997 R1074 T1078 K1081 T1082 E1083 | N973-F1076 HydrophobicContact CB-CD2 3.51Å; N973-F1076 HydrophobicContact CB-CE2 3.44Å; N973-F1076 VanDerWaalsContact CB-CE2 3.44Å; N973-F1076 HydrophobicContact CB-CG 4.49Å; N973-F1076 HydrophobicContact CB-CZ 4.38Å; F975-F1076 HydrophobicContact CB-CE2 4.3Å; L997-F1076 HydrophobicContact CB-CB 3.84Å; L997-F1076 HydrophobicContact CB-CD2 4.08Å; L997-F1076 HydrophobicContact CB-CG 4.11Å; L997-F1076 HydrophobicContact CD2-CD1 4.48Å; L997-F1076 HydrophobicContact CD2-CD2 3.8Å; L997-F1076 HydrophobicContact CD2-CE2 3.97Å; L997-F1076 HydrophobicContact CD2-CG 4.08Å; L997-F1076 HydrophobicContact CD2-CZ 4.39Å; L997-F1076 HydrophobicContact CG-CD2 4.49Å; L997-F1076 HydrophobicContact CG-CG 4.5Å; R1074-F1076 PolarHBondContact O-N 3.37Å; F1076-T1078 HydrophobicContact CD1-CG2 4.39Å; F1076-T1078 HydrophobicContact CE1-CG2 3.5Å; F1076-T1078 HydrophobicContact CZ-CG2 3.81Å; F1076-K1081 HydrophobicContact CE1-CG 4.48Å; F1076-T1082 CarbonylContact O-C 3.6Å; F1076-T1082 VanDerWaalsContact O-CA 3.27Å; F1076-T1082 WeakPolarHBondContact O-CA 3.37Å; F1076-E1083 PolarHBondContact N-O 2.84Å; F1076-E1083 PolarHBondContact O-N 3.41Å |
| 1077 | H | 93.3 | Very high | 93.7 | Very high | 70 Ų | 70 | 63.3 Ų | 63.3 | 32% | 0.324 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 123.3 | -172 | -179.4 | 76.8 | 0 | 0 | 0 | 110.7 | A971 N973 S1075 T1082 | A971-H1077 WeakPolarHBondContact CB-O 3.3Å; N973-H1077 PolarHBondContact ND2-O 2.67Å; N973-H1077 PolarHBondContact OD1-N 3.39Å; S1075-H1077 PolarHBondContact O-N 2.82Å; H1077-T1082 PolarHBondContact ND1-OG1 2.86Å |
| 1078 | T | 90.9 | Very high | 94 | Very high | 18 Ų | 18 | 58.4 Ų | 58.4 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | trans | -128.4 | 170.3 | 170.6 | 61.3 | 0 | 0 | 0 | 0 | 108.5 | F1076 R1080 K1081 | F1076-T1078 HydrophobicContact CD1-CG2 4.39Å; F1076-T1078 HydrophobicContact CE1-CG2 3.5Å; F1076-T1078 HydrophobicContact CZ-CG2 3.81Å; T1078-R1080 PolarHBondContact O-N 2.74Å; T1078-R1080 VanDerWaalsContact O-N 3.1Å; T1078-R1080 PolarHBondContact OG1-N 3.41Å; T1078-K1081 PolarHBondContact N-O 2.81Å; T1078-K1081 PolarHBondContact OG1-N 3.08Å; T1078-K1081 PolarHBondContact OG1-O 3.06Å; T1078-K1081 VanDerWaalsContact OG1-O 3.07Å | ||
| 1079 | E | 82.7 | Confident | 94.1 | Very high | 205 Ų | 205 | 58.1 Ų | 58.1 | 96% | 0.958 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -58.4 | -23.6 | 172.6 | -62 | -173.5 | 164.7 | 0 | 0 | 113.1 | ||
| 1080 | R | 85.2 | Confident | 94.2 | Very high | 201 Ų | 201 | 52 Ų | 52 | 76% | 0.758 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -93.6 | -41.4 | -175 | -70.5 | 179.9 | 149.6 | -142.4 | -0.9 | 113.6 | P951 T1078 | P951-R1080 VanDerWaalsContact CG-CZ 3.45Å; T1078-R1080 PolarHBondContact O-N 2.74Å; T1078-R1080 VanDerWaalsContact O-N 3.1Å; T1078-R1080 PolarHBondContact OG1-N 3.41Å |
| 1081 | K | 91 | Very high | 94.2 | Very high | 52 Ų | 52 | 51.4 Ų | 51.4 | 23% | 0.226 | 27% | 0.265 | C | S | . | . | trans | -145.8 | 150.1 | -171.6 | 67 | 179.3 | -173.1 | 165.4 | 0 | 111.8 | E994 F1076 T1078 E1083 | E994-K1081 IonicContact OE1-NZ 3.56Å; E994-K1081 IonicContact OE2-NZ 3.04Å; E994-K1081 PolarHBondContact OE2-NZ 3.33Å; F1076-K1081 HydrophobicContact CE1-CG 4.48Å; T1078-K1081 PolarHBondContact N-O 2.81Å; T1078-K1081 PolarHBondContact OG1-N 3.08Å; T1078-K1081 PolarHBondContact OG1-O 3.06Å; T1078-K1081 VanDerWaalsContact OG1-O 3.07Å; K1081-E1083 HydrophobicContact CD-CG 4.4Å; K1081-E1083 WeakPolarHBondContact CD-OE2 3.3Å; K1081-E1083 WeakPolarHBondContact CE-OE2 3.21Å; K1081-E1083 IonicContact NZ-OE2 2.83Å; K1081-E1083 PolarHBondContact NZ-OE2 2.71Å | ||
| 1082 | T | 93.5 | Very high | 94.1 | Very high | 86 Ų | 86 | 49.7 Ų | 49.7 | 53% | 0.528 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 125.7 | 167.1 | -57.6 | 0 | 0 | 0 | 0 | 108.1 | F1076 H1077 | F1076-T1082 CarbonylContact O-C 3.6Å; F1076-T1082 VanDerWaalsContact O-CA 3.27Å; F1076-T1082 WeakPolarHBondContact O-CA 3.37Å; H1077-T1082 PolarHBondContact ND1-OG1 2.86Å |
| 1083 | E | 95.9 | Very high | 94.1 | Very high | 69 Ų | 69 | 46.5 Ų | 46.5 | 32% | 0.322 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 149 | -177.8 | -67.8 | -167.6 | 90.6 | 0 | 0 | 110.5 | L997 S1075 F1076 K1081 | L997-E1083 HydrophobicContact CD1-CB 3.98Å; S1075-E1083 CarbonylContact C-O 3.55Å; S1075-E1083 WeakPolarHBondContact CA-O 3.34Å; S1075-E1083 WeakPolarHBondContact CB-O 3.37Å; F1076-E1083 PolarHBondContact N-O 2.84Å; F1076-E1083 PolarHBondContact O-N 3.41Å; K1081-E1083 HydrophobicContact CD-CG 4.4Å; K1081-E1083 WeakPolarHBondContact CD-OE2 3.3Å; K1081-E1083 WeakPolarHBondContact CE-OE2 3.21Å; K1081-E1083 IonicContact NZ-OE2 2.83Å; K1081-E1083 PolarHBondContact NZ-OE2 2.71Å |
| 1084 | P | 96.5 | Very high | 94.1 | Very high | 92 Ų | 92 | 46.1 Ų | 46.1 | 60% | 0.597 | 23% | 0.234 | S | C | * | . | trans | -62.9 | 150.9 | 176.1 | 28.1 | -34.8 | 0 | 0 | 0 | 111 | T1086 | P1084-T1086 PolarHBondContact O-N 2.76Š| ||
| 1085 | A | 96.2 | Very high | 93.7 | Very high | 41 Ų | 41 | 47.1 Ų | 47.1 | 34% | 0.339 | 24% | 0.239 | S | C | . | . | trans | -62.9 | 134.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L997 F998 R1074 | L997-A1085 CarbonylContact O-C 3.57Å; L997-A1085 WeakPolarHBondContact O-CA 3.02Å; F998-A1085 HydrophobicContact CD2-CB 4.41Å; R1074-A1085 HydrophobicContact CB-CB 4Å; R1074-A1085 WeakPolarHBondContact O-CB 3.31Å | ||
| 1086 | T | 96 | Very high | 93.3 | Very high | 52 Ų | 52 | 47.7 Ų | 47.7 | 32% | 0.319 | 24% | 0.243 | S | C | . | . | B | Isolated β-bridge | trans | -144.7 | 152.7 | 179.9 | 59.2 | 0 | 0 | 0 | 0 | 110.4 | G996 L997 P1084 F1088 | G996-T1086 CarbonylContact C-O 3.55Å; G996-T1086 VanDerWaalsContact CA-O 3.24Å; G996-T1086 WeakPolarHBondContact CA-O 3.11Å; L997-T1086 PolarHBondContact N-O 3.17Å; L997-T1086 PolarHBondContact O-N 3.44Å; P1084-T1086 PolarHBondContact O-N 2.76Å; T1086-F1088 WeakPolarHBondContact O-CD2 3.36Å; T1086-F1088 PolarHBondContact O-N 3.02Å; T1086-F1088 VanDerWaalsContact O-N 3.1Å |
| 1087 | G | 96.2 | Very high | 93 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 70.9 | 1.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | S2 N4 Y1048 | S2-G1087 WeakPolarHBondContact O-CA 3.35Å; N4-G1087 WeakPolarHBondContact CB-O 3.47Å; N4-G1087 PolarHBondContact N-O 2.66Å; N4-G1087 PolarHBondContact ND2-O 3.19Å; Y1048-G1087 WeakPolarHBondContact OH-CA 3.33Å; Y1048-G1087 PolarHBondContact OH-N 3.39Å |
| 1088 | F | 97.3 | Very high | 92.4 | Very high | 7 Ų | 7 | 46 Ų | 46 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.4 | 178.9 | -73.7 | -87.4 | 0 | 0 | 0 | 111.7 | N4 V6 L966 L974 V976 F998 V1040 T1086 | N4-F1088 HydrophobicContact CB-CD1 3.6Å; N4-F1088 HydrophobicContact CB-CE1 3.73Å; N4-F1088 HydrophobicContact CB-CG 4.26Å; N4-F1088 HydrophobicContact CB-CZ 4.49Å; N4-F1088 CarbonylContact O-C 3.43Å; N4-F1088 WeakPolarHBondContact O-CA 3.19Å; V6-F1088 HydrophobicContact CB-CD1 4.2Å; V6-F1088 HydrophobicContact CG1-CB 4.41Å; V6-F1088 HydrophobicContact CG1-CD1 4.05Å; L966-F1088 HydrophobicContact CD1-CZ 4.07Å; L974-F1088 HydrophobicContact CB-CZ 4.15Å; V976-F1088 HydrophobicContact CG2-CE1 4.47Å; V976-F1088 HydrophobicContact CG2-CE2 3.93Å; V976-F1088 HydrophobicContact CG2-CZ 3.56Å; F998-F1088 HydrophobicContact CB-CB 3.98Å; F998-F1088 HydrophobicContact CB-CD1 4.5Å; F998-F1088 HydrophobicContact CB-CD2 3.49Å; F998-F1088 VanDerWaalsContact CB-CD2 3.49Å; F998-F1088 HydrophobicContact CB-CE2 4.01Å; F998-F1088 HydrophobicContact CB-CG 3.76Å; F998-F1088 HydrophobicContact CD2-CB 3.71Å; F998-F1088 HydrophobicContact CD2-CG 4.37Å; F998-F1088 HydrophobicContact CE2-CB 4.39Å; F998-F1088 HydrophobicContact CG-CB 4.01Å; F998-F1088 HydrophobicContact CG-CD2 4.38Å; F998-F1088 HydrophobicContact CG-CG 4.16Å; V1040-F1088 HydrophobicContact CG1-CE1 4.23Å; T1086-F1088 WeakPolarHBondContact O-CD2 3.36Å; T1086-F1088 PolarHBondContact O-N 3.02Å; T1086-F1088 VanDerWaalsContact O-N 3.1Å |
| 1089 | I | 97.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 129.8 | 166 | -58.1 | -56.6 | 0 | 0 | 0 | 108.9 | N4 Y5 V6 L1043 Y1048 L1051 L1052 G1091 I1094 | N4-I1089 PolarHBondContact O-N 3.38Å; Y5-I1089 HydrophobicContact CD2-CB 3.89Å; Y5-I1089 HydrophobicContact CD2-CG2 3.72Å; Y5-I1089 HydrophobicContact CE2-CG2 3.99Å; V6-I1089 WeakPolarHBondContact CG1-O 3.42Å; V6-I1089 PolarHBondContact N-O 3.33Å; L1043-I1089 HydrophobicContact CD1-CG1 4.12Å; Y1048-I1089 HydrophobicContact CD2-CD1 3.89Å; Y1048-I1089 HydrophobicContact CD2-CG1 3.64Å; Y1048-I1089 HydrophobicContact CE2-CD1 3.71Å; Y1048-I1089 HydrophobicContact CE2-CG1 3.75Å; Y1048-I1089 HydrophobicContact CG-CD1 4.43Å; Y1048-I1089 HydrophobicContact CG-CG1 4.45Å; L1051-I1089 HydrophobicContact CB-CD1 4.32Å; L1051-I1089 HydrophobicContact CB-CG1 4.15Å; L1051-I1089 HydrophobicContact CB-CG2 3.89Å; L1051-I1089 HydrophobicContact CD1-CG2 4.45Å; L1052-I1089 HydrophobicContact CB-CD1 3.81Å; L1052-I1089 HydrophobicContact CD1-CD1 4.17Å; I1089-G1091 PolarHBondContact O-N 2.67Å; I1089-I1094 HydrophobicContact CG2-CD1 4.24Å; I1089-I1094 HydrophobicContact CG2-CG1 3.75Å |
| 1090 | D | 97 | Very high | 91.9 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.011 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 95.1 | 176.4 | -171.4 | -9.9 | 0 | 0 | 0 | 110.5 | F998 H1070 R1074 D1092 L1093 I1094 | F998-D1090 HydrophobicContact CE2-CB 4.2Å; F998-D1090 HydrophobicContact CZ-CB 4.27Å; H1070-D1090 IonicContact CD2-OD2 3.49Å; H1070-D1090 IonicContact CE1-OD2 3.67Å; H1070-D1090 IonicContact NE2-OD2 2.86Å; H1070-D1090 PolarHBondContact NE2-OD2 2.73Å; R1074-D1090 IonicContact CZ-OD1 3.34Å; R1074-D1090 IonicContact CZ-OD2 3.82Å; R1074-D1090 VanDerWaalsContact CZ-OD2 3.31Å; R1074-D1090 IonicContact NE-OD2 3.47Å; R1074-D1090 PolarHBondContact NE-OD2 2.68Å; R1074-D1090 IonicContact NH2-OD1 3.26Å; R1074-D1090 PolarHBondContact NH2-OD1 2.81Å; R1074-D1090 VanDerWaalsContact NH2-OD1 3.12Å; R1074-D1090 IonicContact NH2-OD2 3.74Å; R1074-D1090 PolarHBondContact NH2-OD2 2.82Å; D1090-D1092 VanDerWaalsContact C-N 3.3Å; D1090-D1092 PolarHBondContact O-N 3.02Å; D1090-D1092 PolarHBondContact OD1-N 2.69Å; D1090-L1093 HydrophobicContact CB-CB 4.15Å; D1090-L1093 PolarHBondContact O-N 3.18Å; D1090-I1094 WeakPolarHBondContact O-CG1 3.43Å; D1090-I1094 PolarHBondContact O-N 2.62Å; D1090-I1094 VanDerWaalsContact O-N 3.09Å |
| 1091 | G | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.3 | -35 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y5 V6 I1089 L1093 I1094 E1095 | Y5-G1091 VanDerWaalsContact CE2-CA 3.42Å; Y5-G1091 WeakPolarHBondContact OH-CA 3.44Å; V6-G1091 VanDerWaalsContact O-CA 3.31Å; V6-G1091 WeakPolarHBondContact O-CA 3.42Å; V6-G1091 PolarHBondContact O-N 3.06Å; I1089-G1091 PolarHBondContact O-N 2.67Å; G1091-L1093 VanDerWaalsContact C-N 3.27Å; G1091-L1093 PolarHBondContact O-N 3.38Å; G1091-I1094 WeakPolarHBondContact O-CB 3.48Å; G1091-I1094 PolarHBondContact O-N 2.9Å; G1091-I1094 VanDerWaalsContact O-N 3.12Å; G1091-E1095 WeakPolarHBondContact O-CG 3.34Å; G1091-E1095 PolarHBondContact O-N 3.14Å |
| 1092 | D | 92.9 | Very high | 91.4 | Very high | 44 Ų | 44 | 39 Ų | 39 | 24% | 0.235 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.5 | -39.4 | 177.3 | -58.8 | -29.3 | 0 | 0 | 0 | 111.1 | T8 R1074 D1090 S1096 | T8-D1092 WeakPolarHBondContact CB-OD1 3.25Å; T8-D1092 PolarHBondContact N-OD1 3.2Å; T8-D1092 PolarHBondContact OG1-OD1 2.56Å; T8-D1092 PolarHBondContact OG1-OD2 3.34Å; R1074-D1092 IonicContact NH2-OD2 3.7Å; D1090-D1092 VanDerWaalsContact C-N 3.3Å; D1090-D1092 PolarHBondContact O-N 3.02Å; D1090-D1092 PolarHBondContact OD1-N 2.69Å; D1092-S1096 PolarHBondContact O-N 2.8Å |
| 1093 | L | 94.5 | Very high | 91.1 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.2 | -41.4 | 175.1 | 177.2 | 59.3 | 0 | 0 | 0 | 111.2 | Q1055 L1058 N1059 I1062 D1090 G1091 E1095 S1096 | Q1055-L1093 HydrophobicContact CG-CD2 3.56Å; Q1055-L1093 HydrophobicContact CG-CG 4.42Å; L1058-L1093 HydrophobicContact CB-CD1 4.06Å; L1058-L1093 HydrophobicContact CB-CG 4.24Å; L1058-L1093 WeakPolarHBondContact CD1-O 3.19Å; N1059-L1093 WeakPolarHBondContact OD1-CD2 3.39Å; I1062-L1093 HydrophobicContact CD1-CD1 4.31Å; D1090-L1093 HydrophobicContact CB-CB 4.15Å; D1090-L1093 PolarHBondContact O-N 3.18Å; G1091-L1093 VanDerWaalsContact C-N 3.27Å; G1091-L1093 PolarHBondContact O-N 3.38Å; L1093-E1095 VanDerWaalsContact C-N 3.3Å; L1093-E1095 PolarHBondContact O-N 2.86Å; L1093-S1096 WeakPolarHBondContact O-CB 3.49Å; L1093-S1096 PolarHBondContact O-N 2.73Å; L1093-S1096 PolarHBondContact O-OG 3.2Å |
| 1094 | I | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.4 | -44.2 | 175.7 | -64.6 | -58.8 | 0 | 0 | 0 | 110.9 | Y5 L1051 M1054 Q1055 L1058 I1089 D1090 G1091 S1096 F1097 V1133 L1136 | Y5-I1094 HydrophobicContact CE2-CB 4.5Å; Y5-I1094 HydrophobicContact CE2-CG1 4.34Å; L1051-I1094 HydrophobicContact CD2-CD1 4.44Å; L1051-I1094 HydrophobicContact CD2-CG2 4.29Å; M1054-I1094 HydrophobicContact CB-CD1 4.27Å; M1054-I1094 HydrophobicContact CE-CG2 4.26Å; M1054-I1094 HydrophobicContact CG-CD1 4.02Å; M1054-I1094 HydrophobicContact SD-CD1 4.24Å; M1054-I1094 HydrophobicContact SD-CG2 4.39Å; Q1055-I1094 HydrophobicContact CB-CD1 4.09Å; L1058-I1094 HydrophobicContact CD1-CD1 4.18Å; I1089-I1094 HydrophobicContact CG2-CD1 4.24Å; I1089-I1094 HydrophobicContact CG2-CG1 3.75Å; D1090-I1094 WeakPolarHBondContact O-CG1 3.43Å; D1090-I1094 PolarHBondContact O-N 2.62Å; D1090-I1094 VanDerWaalsContact O-N 3.09Å; G1091-I1094 WeakPolarHBondContact O-CB 3.48Å; G1091-I1094 PolarHBondContact O-N 2.9Å; G1091-I1094 VanDerWaalsContact O-N 3.12Å; I1094-S1096 VanDerWaalsContact C-N 3.29Å; I1094-S1096 PolarHBondContact O-N 2.76Å; I1094-F1097 WeakPolarHBondContact O-CB 3.43Å; I1094-F1097 PolarHBondContact O-N 2.84Å; I1094-F1097 VanDerWaalsContact O-N 3.17Å; I1094-V1133 HydrophobicContact CG2-CG1 4.32Å; I1094-V1133 HydrophobicContact CG2-CG2 3.79Å; I1094-L1136 HydrophobicContact CG2-CD1 4.18Å |
| 1095 | E | 89.8 | Confident | 90.5 | Very high | 34 Ų | 34 | 36.4 Ų | 36.4 | 16% | 0.159 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.3 | -33 | 178.6 | -72 | -165.6 | 177.2 | 0 | 0 | 113.5 | G1091 L1093 F1097 L1098 V1133 T1137 H1140 | G1091-E1095 WeakPolarHBondContact O-CG 3.34Å; G1091-E1095 PolarHBondContact O-N 3.14Å; L1093-E1095 VanDerWaalsContact C-N 3.3Å; L1093-E1095 PolarHBondContact O-N 2.86Å; E1095-F1097 PolarHBondContact O-N 3.02Å; E1095-L1098 WeakPolarHBondContact O-CB 3.46Å; E1095-L1098 PolarHBondContact O-N 3.32Å; E1095-V1133 HydrophobicContact CG-CG1 4.39Å; E1095-T1137 VanDerWaalsContact CD-CG2 3.49Å; E1095-T1137 HydrophobicContact CG-CG2 3.68Å; E1095-T1137 VanDerWaalsContact OE1-CG2 3.23Å; E1095-T1137 WeakPolarHBondContact OE1-CG2 3.4Å; E1095-H1140 IonicContact OE1-CD2 3.65Å; E1095-H1140 IonicContact OE1-CE1 3.8Å; E1095-H1140 PolarHBondContact OE1-CE1 2.86Å; E1095-H1140 VanDerWaalsContact OE1-CE1 3.24Å; E1095-H1140 IonicContact OE1-NE2 3.86Å; E1095-H1140 PolarHBondContact OE1-NE2 3.48Å |
| 1096 | S | 87.7 | Confident | 90.3 | Very high | 23 Ų | 23 | 40.5 Ų | 40.5 | 16% | 0.161 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -59.9 | -15.5 | 176.9 | 78.3 | 0 | 0 | 0 | 0 | 113.7 | I1062 D1092 L1093 I1094 L1098 D1099 I1100 | I1062-S1096 WeakPolarHBondContact CD1-OG 3.36Å; D1092-S1096 PolarHBondContact O-N 2.8Å; L1093-S1096 WeakPolarHBondContact O-CB 3.49Å; L1093-S1096 PolarHBondContact O-N 2.73Å; L1093-S1096 PolarHBondContact O-OG 3.2Å; I1094-S1096 VanDerWaalsContact C-N 3.29Å; I1094-S1096 PolarHBondContact O-N 2.76Å; S1096-L1098 PolarHBondContact O-N 2.84Å; S1096-D1099 PolarHBondContact O-N 2.69Å; S1096-D1099 VanDerWaalsContact O-N 3.09Å; S1096-I1100 PolarHBondContact O-N 3.42Å |
| 1097 | F | 89.2 | Confident | 90.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -57.2 | -31.2 | 168.8 | -177.7 | -107.4 | 0 | 0 | 0 | 112.4 | M1054 L1058 I1094 E1095 D1099 I1100 M1105 V1108 V1109 L1129 I1130 V1133 | M1054-F1097 HydrophobicContact CE-CB 3.44Å; M1054-F1097 VanDerWaalsContact CE-CB 3.44Å; M1054-F1097 HydrophobicContact CE-CD1 3.76Å; M1054-F1097 HydrophobicContact CE-CD2 3.89Å; M1054-F1097 HydrophobicContact CE-CE1 4.47Å; M1054-F1097 HydrophobicContact CE-CG 3.42Å; M1054-F1097 VanDerWaalsContact CE-CG 3.42Å; L1058-F1097 HydrophobicContact CD1-CB 4.31Å; L1058-F1097 HydrophobicContact CD2-CB 3.97Å; L1058-F1097 HydrophobicContact CD2-CD2 4.01Å; L1058-F1097 HydrophobicContact CD2-CG 4.49Å; I1094-F1097 WeakPolarHBondContact O-CB 3.43Å; I1094-F1097 PolarHBondContact O-N 2.84Å; I1094-F1097 VanDerWaalsContact O-N 3.17Å; E1095-F1097 PolarHBondContact O-N 3.02Å; F1097-D1099 VanDerWaalsContact C-N 3.28Å; F1097-D1099 PolarHBondContact O-N 2.81Å; F1097-I1100 HydrophobicContact CD2-CD1 3.87Å; F1097-I1100 HydrophobicContact CD2-CG1 4.44Å; F1097-I1100 HydrophobicContact CE2-CD1 4.33Å; F1097-I1100 WeakPolarHBondContact O-CG1 3.3Å; F1097-M1105 HydrophobicContact CD2-CG 4.38Å; F1097-M1105 HydrophobicContact CE2-CB 3.78Å; F1097-M1105 HydrophobicContact CE2-CG 3.85Å; F1097-M1105 HydrophobicContact CZ-CB 3.83Å; F1097-M1105 HydrophobicContact CZ-CG 3.91Å; F1097-M1105 WeakPolarHBondContact O-CE 3.44Å; F1097-V1108 HydrophobicContact CD2-CB 4.36Å; F1097-V1108 HydrophobicContact CD2-CG1 4.11Å; F1097-V1108 HydrophobicContact CE2-CB 4.01Å; F1097-V1108 HydrophobicContact CE2-CG1 3.98Å; F1097-V1109 HydrophobicContact CE2-CG2 4.32Å; F1097-V1109 HydrophobicContact CZ-CG2 4.07Å; F1097-L1129 HydrophobicContact CD1-CB 4.29Å; F1097-L1129 HydrophobicContact CE1-CB 3.5Å; F1097-L1129 HydrophobicContact CE2-CD1 4.29Å; F1097-L1129 HydrophobicContact CZ-CB 3.72Å; F1097-L1129 HydrophobicContact CZ-CD1 4.04Å; F1097-I1130 HydrophobicContact CD1-CG1 4.49Å; F1097-I1130 HydrophobicContact CE1-CG1 3.82Å; F1097-V1133 HydrophobicContact CB-CG2 4.42Å; F1097-V1133 HydrophobicContact CD1-CG2 4.12Å |
| 1098 | L | 81.9 | Confident | 89.9 | Confident | 35 Ų | 35 | 43.8 Ų | 43.8 | 18% | 0.183 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -72.9 | -21.1 | 178.1 | -61.9 | -179.8 | 0 | 0 | 0 | 113.2 | K665 E1095 S1096 I1130 V1133 E1134 T1137 | K665-L1098 PolarHBondContact NZ-O 3.1Å; E1095-L1098 WeakPolarHBondContact O-CB 3.46Å; E1095-L1098 PolarHBondContact O-N 3.32Å; S1096-L1098 PolarHBondContact O-N 2.84Å; L1098-I1130 HydrophobicContact CD2-CB 4.48Å; L1098-I1130 HydrophobicContact CD2-CG1 4.38Å; L1098-I1130 HydrophobicContact CD2-CG2 4.14Å; L1098-V1133 HydrophobicContact CD1-CB 4.49Å; L1098-V1133 HydrophobicContact CD1-CG1 3.78Å; L1098-V1133 HydrophobicContact CD2-CB 4.19Å; L1098-V1133 HydrophobicContact CD2-CG1 4.19Å; L1098-V1133 HydrophobicContact CG-CB 4.25Å; L1098-V1133 HydrophobicContact CG-CG1 3.68Å; L1098-E1134 HydrophobicContact CD1-CG 4.38Å; L1098-E1134 HydrophobicContact CD2-CG 4.3Å; L1098-T1137 HydrophobicContact CD1-CG2 4.1Å |
| 1099 | D | 80.1 | Confident | 89.7 | Confident | 110 Ų | 110 | 43.9 Ų | 43.9 | 59% | 0.588 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -13 | -176.1 | -64.9 | -35.1 | 0 | 0 | 0 | 113.8 | N663 S1096 F1097 | N663-D1099 PolarHBondContact ND2-OD1 3.47Å; S1096-D1099 PolarHBondContact O-N 2.69Å; S1096-D1099 VanDerWaalsContact O-N 3.09Å; F1097-D1099 VanDerWaalsContact C-N 3.28Å; F1097-D1099 PolarHBondContact O-N 2.81Å |
| 1100 | I | 82.5 | Confident | 89.2 | Confident | 23 Ų | 23 | 45.9 Ų | 45.9 | 12% | 0.118 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -86 | 150.8 | -179.9 | 57.6 | 167 | 0 | 0 | 0 | 112.5 | L1058 I1062 S1096 F1097 K1104 M1105 V1108 | L1058-I1100 HydrophobicContact CD2-CD1 4.28Å; I1062-I1100 HydrophobicContact CD1-CG2 3.95Å; I1062-I1100 HydrophobicContact CG1-CG2 3.96Å; S1096-I1100 PolarHBondContact O-N 3.42Å; F1097-I1100 HydrophobicContact CD2-CD1 3.87Å; F1097-I1100 HydrophobicContact CD2-CG1 4.44Å; F1097-I1100 HydrophobicContact CE2-CD1 4.33Å; F1097-I1100 WeakPolarHBondContact O-CG1 3.3Å; I1100-K1104 HydrophobicContact CB-CB 4.13Å; I1100-K1104 HydrophobicContact CB-CD 4.37Å; I1100-K1104 HydrophobicContact CD1-CB 3.98Å; I1100-K1104 HydrophobicContact CG1-CB 4.45Å; I1100-M1105 HydrophobicContact CD1-CG 3.98Å; I1100-M1105 HydrophobicContact CG1-CG 3.77Å; I1100-M1105 VanDerWaalsContact O-CE 3.29Å; I1100-M1105 WeakPolarHBondContact O-CE 3.33Å; I1100-V1108 HydrophobicContact CD1-CG2 4.07Å |
| 1101 | S | 82.6 | Confident | 88.6 | Confident | 65 Ų | 65 | 51.8 Ų | 51.8 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | trans | -61.4 | 148.9 | 176.6 | 63.5 | 0 | 0 | 0 | 0 | 112.6 | P1103 K1104 M1105 | S1101-P1103 VanDerWaalsContact C-CD 3.45Å; S1101-P1103 VanDerWaalsContact C-N 3.35Å; S1101-P1103 VanDerWaalsContact O-N 3.15Å; S1101-K1104 WeakPolarHBondContact O-CA 3.02Å; S1101-K1104 WeakPolarHBondContact O-CB 3.32Å; S1101-K1104 PolarHBondContact O-N 2.75Å; S1101-M1105 PolarHBondContact O-N 2.83Å | ||
| 1102 | R | 82.2 | Confident | 88.3 | Confident | 132 Ų | 132 | 51.8 Ų | 51.8 | 50% | 0.498 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -48.9 | -40.4 | 178.1 | -81.2 | -159.4 | 179.5 | -98.9 | 7.8 | 115.6 | K1104 M1105 Q1106 D1127 | R1102-K1104 VanDerWaalsContact C-N 3.33Å; R1102-K1104 PolarHBondContact O-N 3.37Å; R1102-M1105 HydrophobicContact CG-SD 4.22Å; R1102-M1105 WeakPolarHBondContact O-CB 3.5Å; R1102-M1105 PolarHBondContact O-N 3Å; R1102-Q1106 WeakPolarHBondContact O-CG 3.33Å; R1102-Q1106 PolarHBondContact O-N 3.06Å; R1102-D1127 IonicContact CZ-OD1 3.03Å; R1102-D1127 IonicContact NH1-OD1 2.64Å; R1102-D1127 PolarHBondContact NH1-OD1 3.33Å; R1102-D1127 IonicContact NH2-OD1 2.83Å; R1102-D1127 PolarHBondContact NH2-OD1 3.22Å |
| 1103 | P | 87.8 | Confident | 87.8 | Confident | 91 Ų | 91 | 55.4 Ų | 55.4 | 59% | 0.591 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -60.4 | -40.3 | 175.3 | -26.1 | 35.8 | 0 | 0 | 0 | 113.2 | S1101 Q1106 E1107 | S1101-P1103 VanDerWaalsContact C-CD 3.45Å; S1101-P1103 VanDerWaalsContact C-N 3.35Å; S1101-P1103 VanDerWaalsContact O-N 3.15Å; P1103-Q1106 PolarHBondContact O-N 2.82Å; P1103-E1107 PolarHBondContact O-N 3.07Å; P1103-E1107 VanDerWaalsContact O-N 3.1Å |
| 1104 | K | 89.3 | Confident | 87 | Confident | 96 Ų | 96 | 56.6 Ų | 56.6 | 42% | 0.417 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.6 | -37.1 | 174.1 | -70.9 | -177.8 | 179.2 | 178.4 | 0 | 111.7 | V1061 I1100 S1101 R1102 Q1106 E1107 V1108 | V1061-K1104 HydrophobicContact CG1-CB 3.72Å; V1061-K1104 HydrophobicContact CG1-CD 4.12Å; V1061-K1104 HydrophobicContact CG1-CG 3.93Å; I1100-K1104 HydrophobicContact CB-CB 4.13Å; I1100-K1104 HydrophobicContact CB-CD 4.37Å; I1100-K1104 HydrophobicContact CD1-CB 3.98Å; I1100-K1104 HydrophobicContact CG1-CB 4.45Å; S1101-K1104 WeakPolarHBondContact O-CA 3.02Å; S1101-K1104 WeakPolarHBondContact O-CB 3.32Å; S1101-K1104 PolarHBondContact O-N 2.75Å; R1102-K1104 VanDerWaalsContact C-N 3.33Å; R1102-K1104 PolarHBondContact O-N 3.37Å; K1104-Q1106 VanDerWaalsContact C-N 3.31Å; K1104-Q1106 PolarHBondContact O-N 3.01Å; K1104-E1107 WeakPolarHBondContact O-CB 3.47Å; K1104-E1107 PolarHBondContact O-N 2.59Å; K1104-V1108 WeakPolarHBondContact O-CG2 3.44Å; K1104-V1108 PolarHBondContact O-N 3.08Å |
| 1105 | M | 91.2 | Very high | 86.1 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.02 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 173.2 | -66.3 | 172.6 | 163.8 | 0 | 0 | 111.1 | F1097 I1100 S1101 R1102 E1107 V1108 V1109 A1126 I1130 | F1097-M1105 HydrophobicContact CD2-CG 4.38Å; F1097-M1105 HydrophobicContact CE2-CB 3.78Å; F1097-M1105 HydrophobicContact CE2-CG 3.85Å; F1097-M1105 HydrophobicContact CZ-CB 3.83Å; F1097-M1105 HydrophobicContact CZ-CG 3.91Å; F1097-M1105 WeakPolarHBondContact O-CE 3.44Å; I1100-M1105 HydrophobicContact CD1-CG 3.98Å; I1100-M1105 HydrophobicContact CG1-CG 3.77Å; I1100-M1105 VanDerWaalsContact O-CE 3.29Å; I1100-M1105 WeakPolarHBondContact O-CE 3.33Å; S1101-M1105 PolarHBondContact O-N 2.83Å; R1102-M1105 HydrophobicContact CG-SD 4.22Å; R1102-M1105 WeakPolarHBondContact O-CB 3.5Å; R1102-M1105 PolarHBondContact O-N 3Å; M1105-E1107 VanDerWaalsContact C-N 3.31Å; M1105-E1107 PolarHBondContact O-N 3.36Å; M1105-V1108 PolarHBondContact O-N 3.03Å; M1105-V1109 WeakPolarHBondContact O-CB 3.42Å; M1105-V1109 WeakPolarHBondContact O-CG2 3.23Å; M1105-V1109 PolarHBondContact O-N 2.85Å; M1105-A1126 HydrophobicContact CB-CB 4.17Å; M1105-I1130 HydrophobicContact CE-CD1 4.28Å; M1105-I1130 HydrophobicContact CE-CG1 4.35Å; M1105-I1130 HydrophobicContact SD-CD1 4.02Å; M1105-I1130 HydrophobicContact SD-CG1 4.45Å |
| 1106 | Q | 91.6 | Very high | 85 | Confident | 127 Ų | 127 | 61.6 Ų | 61.6 | 59% | 0.593 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.6 | -37.7 | 176.4 | -71.5 | 174.8 | -12.9 | 0 | 0 | 112.2 | R1102 P1103 K1104 V1109 A1110 | R1102-Q1106 WeakPolarHBondContact O-CG 3.33Å; R1102-Q1106 PolarHBondContact O-N 3.06Å; P1103-Q1106 PolarHBondContact O-N 2.82Å; K1104-Q1106 VanDerWaalsContact C-N 3.31Å; K1104-Q1106 PolarHBondContact O-N 3.01Å; Q1106-V1109 PolarHBondContact O-N 3.04Å; Q1106-A1110 PolarHBondContact O-N 2.77Å |
| 1107 | E | 92.6 | Very high | 84.1 | Confident | 121 Ų | 121 | 63.9 Ų | 63.9 | 57% | 0.565 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.9 | -42 | 174 | -172.2 | -179.1 | 171.4 | 0 | 0 | 112.1 | V1061 P1103 K1104 M1105 | V1061-E1107 HydrophobicContact CG2-CB 4.27Å; V1061-E1107 HydrophobicContact CG2-CG 3.85Å; P1103-E1107 PolarHBondContact O-N 3.07Å; P1103-E1107 VanDerWaalsContact O-N 3.1Å; K1104-E1107 WeakPolarHBondContact O-CB 3.47Å; K1104-E1107 PolarHBondContact O-N 2.59Å; M1105-E1107 VanDerWaalsContact C-N 3.31Å; M1105-E1107 PolarHBondContact O-N 3.36Å |
| 1108 | V | 91.7 | Very high | 83.1 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64 | -43.3 | 174.7 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | R1057 L1058 V1061 F1097 I1100 K1104 M1105 | R1057-V1108 HydrophobicContact CB-CG1 3.99Å; R1057-V1108 VanDerWaalsContact CD-O 3.3Å; R1057-V1108 WeakPolarHBondContact CD-O 3.39Å; L1058-V1108 HydrophobicContact CD2-CG1 4.42Å; L1058-V1108 HydrophobicContact CD2-CG2 4.01Å; L1058-V1108 HydrophobicContact CG-CG1 4.2Å; L1058-V1108 HydrophobicContact CG-CG2 4.41Å; V1061-V1108 HydrophobicContact CB-CG2 4Å; V1061-V1108 HydrophobicContact CG1-CG2 4.23Å; V1061-V1108 HydrophobicContact CG2-CG2 3.72Å; F1097-V1108 HydrophobicContact CD2-CB 4.36Å; F1097-V1108 HydrophobicContact CD2-CG1 4.11Å; F1097-V1108 HydrophobicContact CE2-CB 4.01Å; F1097-V1108 HydrophobicContact CE2-CG1 3.98Å; I1100-V1108 HydrophobicContact CD1-CG2 4.07Å; K1104-V1108 WeakPolarHBondContact O-CG2 3.44Å; K1104-V1108 PolarHBondContact O-N 3.08Å; M1105-V1108 PolarHBondContact O-N 3.03Å |
| 1109 | V | 91.8 | Very high | 82.5 | Confident | 9 Ų | 9 | 68.9 Ų | 68.9 | 6% | 0.055 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -74.6 | -25.9 | -173.9 | 172.5 | 0 | 0 | 0 | 0 | 113.1 | F1097 M1105 Q1106 N1111 L1112 A1124 A1126 L1129 | F1097-V1109 HydrophobicContact CE2-CG2 4.32Å; F1097-V1109 HydrophobicContact CZ-CG2 4.07Å; M1105-V1109 WeakPolarHBondContact O-CB 3.42Å; M1105-V1109 WeakPolarHBondContact O-CG2 3.23Å; M1105-V1109 PolarHBondContact O-N 2.85Å; Q1106-V1109 PolarHBondContact O-N 3.04Å; V1109-N1111 PolarHBondContact O-N 2.83Å; V1109-L1112 WeakPolarHBondContact O-CB 3.21Å; V1109-L1112 PolarHBondContact O-N 3.2Å; V1109-A1124 HydrophobicContact CG1-CB 4.19Å; V1109-A1124 WeakPolarHBondContact CG1-O 3.45Å; V1109-A1126 HydrophobicContact CG2-CB 4.16Å; V1109-L1129 HydrophobicContact CG2-CD1 3.57Å; V1109-L1129 HydrophobicContact CG2-CG 4.18Å |
| 1110 | A | 88.7 | Confident | 82.2 | Confident | 42 Ų | 42 | 70.7 Ų | 70.7 | 35% | 0.347 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 121.9 | -172 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1057 Q1106 L1112 | R1057-A1110 PolarHBondContact NH1-O 3.39Å; Q1106-A1110 PolarHBondContact O-N 2.77Å; A1110-L1112 PolarHBondContact O-N 3.12Å |
| 1111 | N | 83.5 | Confident | 82 | Confident | 126 Ų | 126 | 76.6 Ų | 76.6 | 67% | 0.674 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 19.7 | -176.5 | -41.7 | -81.2 | 0 | 0 | 0 | 115.1 | R1057 V1109 E1123 | R1057-N1111 PolarHBondContact NH2-O 2.89Å; V1109-N1111 PolarHBondContact O-N 2.83Å; N1111-E1123 PolarHBondContact N-OE1 2.85Å |
| 1112 | L | 87.6 | Confident | 82.1 | Confident | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.005 | 42% | 0.423 | C | S | . | . | trans | -81 | 130 | 169.9 | -175.6 | 67.8 | 0 | 0 | 0 | 108.8 | L1050 D1053 V1109 A1110 A1124 L1129 | L1050-L1112 HydrophobicContact CD1-CD1 4.37Å; L1050-L1112 HydrophobicContact CD1-CD2 4.25Å; L1050-L1112 HydrophobicContact CD1-CG 4.36Å; D1053-L1112 HydrophobicContact CB-CD1 3.86Å; D1053-L1112 WeakPolarHBondContact OD2-CD1 3.4Å; V1109-L1112 WeakPolarHBondContact O-CB 3.21Å; V1109-L1112 PolarHBondContact O-N 3.2Å; A1110-L1112 PolarHBondContact O-N 3.12Å; L1112-A1124 HydrophobicContact CB-CB 4.12Å; L1112-A1124 HydrophobicContact CD2-CB 4.08Å; L1112-A1124 HydrophobicContact CG-CB 4.18Å; L1112-A1124 PolarHBondContact O-N 3Å; L1112-L1129 HydrophobicContact CD2-CD1 3.58Å; L1112-L1129 HydrophobicContact CD2-CD2 3.76Å; L1112-L1129 HydrophobicContact CD2-CG 4.1Å | ||
| 1113 | Q | 83.2 | Confident | 82.2 | Confident | 120 Ų | 120 | 78.5 Ų | 78.5 | 56% | 0.561 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 130.6 | 175.7 | -70.4 | -165.6 | -12.6 | 0 | 0 | 110.8 | K1121 R1122 | Q1113-K1121 HydrophobicContact CB-CB 4.29Å; Q1113-K1121 HydrophobicContact CB-CD 4.28Å; Q1113-R1122 CarbonylContact C-O 3.56Å; Q1113-R1122 WeakPolarHBondContact CA-O 3.13Å |
| 1114 | Y | 77.9 | Confident | 82.2 | Confident | 30 Ų | 30 | 74.4 Ų | 74.4 | 12% | 0.118 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 134.7 | -176.9 | 175.4 | -103 | 0 | 0 | 0 | 109.9 | L1050 D1116 K1121 R1122 V1132 | L1050-Y1114 HydrophobicContact CD1-CD2 4.24Å; L1050-Y1114 HydrophobicContact CD2-CD2 3.67Å; L1050-Y1114 HydrophobicContact CD2-CE2 3.9Å; Y1114-D1116 HydrophobicContact CD1-CB 4.18Å; Y1114-D1116 HydrophobicContact CE1-CB 3.76Å; Y1114-K1121 WeakPolarHBondContact O-CA 3.31Å; Y1114-R1122 PolarHBondContact N-O 3.01Å; Y1114-R1122 PolarHBondContact O-N 2.98Å; Y1114-V1132 HydrophobicContact CE2-CG2 3.85Å |
| 1115 | D | 74.2 | Confident | 82 | Confident | 72 Ų | 72 | 73 Ų | 73 | 39% | 0.385 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 117.4 | 170.3 | -172.8 | -14.2 | 0 | 0 | 0 | 107.8 | G1117 G1119 | D1115-G1117 PolarHBondContact O-N 3.3Å; D1115-G1117 PolarHBondContact OD1-N 2.9Å; D1115-G1119 PolarHBondContact OD1-N 3.49Å; D1115-G1119 VanDerWaalsContact OD1-N 3.09Å |
| 1116 | D | 68.2 | Low | 81.8 | Confident | 66 Ų | 66 | 73.4 Ų | 73.4 | 35% | 0.353 | 40% | 0.404 | S | S | . | . | trans | -84.9 | 13.6 | -178.6 | 62.8 | 1.1 | 0 | 0 | 0 | 113.3 | Y1114 S1118 R1122 | Y1114-D1116 HydrophobicContact CD1-CB 4.18Å; Y1114-D1116 HydrophobicContact CE1-CB 3.76Å; D1116-S1118 VanDerWaalsContact C-N 3.32Å; D1116-S1118 WeakPolarHBondContact OD1-CB 3.36Å; D1116-S1118 PolarHBondContact OD1-N 3.06Å; D1116-S1118 PolarHBondContact OD1-OG 2.76Å; D1116-R1122 IonicContact OD2-CZ 3.19Å; D1116-R1122 IonicContact OD2-NE 3.7Å; D1116-R1122 IonicContact OD2-NH1 2.79Å; D1116-R1122 PolarHBondContact OD2-NH1 3.49Å | ||
| 1117 | G | 67.3 | Low | 81.3 | Confident | 72 Ų | 72 | 71.7 Ų | 71.7 | 74% | 0.742 | 40% | 0.399 | S | S | * | . | S | Bend | trans | 88.6 | -3.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D1115 G1119 | D1115-G1117 PolarHBondContact O-N 3.3Å; D1115-G1117 PolarHBondContact OD1-N 2.9Å; G1117-G1119 PolarHBondContact O-N 3.33Å |
| 1118 | S | 69.4 | Low | 80.9 | Confident | 80 Ų | 80 | 67.2 Ų | 67.2 | 56% | 0.559 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -75.9 | -10.6 | 171.3 | 68.5 | 0 | 0 | 0 | 0 | 113.3 | D1116 M1120 | D1116-S1118 VanDerWaalsContact C-N 3.32Å; D1116-S1118 WeakPolarHBondContact OD1-CB 3.36Å; D1116-S1118 PolarHBondContact OD1-N 3.06Å; D1116-S1118 PolarHBondContact OD1-OG 2.76Å; S1118-M1120 PolarHBondContact O-N 3.26Å; S1118-M1120 PolarHBondContact OG-N 3.19Å |
| 1119 | G | 68.8 | Low | 80.7 | Confident | 59 Ų | 59 | 67.2 Ų | 67.2 | 61% | 0.608 | 38% | 0.379 | S | S | * | . | S | Bend | trans | 78.2 | 2.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1115 G1117 | D1115-G1119 PolarHBondContact OD1-N 3.49Å; D1115-G1119 VanDerWaalsContact OD1-N 3.09Å; G1117-G1119 PolarHBondContact O-N 3.33Å |
| 1120 | M | 74.7 | Confident | 80.1 | Confident | 148 Ų | 148 | 67.5 Ų | 67.5 | 73% | 0.729 | 38% | 0.38 | S | S | * | . | trans | -107.4 | 129.3 | 171.1 | -69.5 | -160.7 | 178.5 | 0 | 0 | 110.5 | S1118 R1122 | S1118-M1120 PolarHBondContact O-N 3.26Å; S1118-M1120 PolarHBondContact OG-N 3.19Å; M1120-R1122 PolarHBondContact O-N 3.1Å | ||
| 1121 | K | 78.2 | Confident | 79.5 | Confident | 148 Ų | 148 | 71.2 Ų | 71.2 | 64% | 0.643 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 123 | 173 | -67.8 | -172.3 | 179.6 | -172.3 | 0 | 110.3 | Q1113 Y1114 | Q1113-K1121 HydrophobicContact CB-CB 4.29Å; Q1113-K1121 HydrophobicContact CB-CD 4.28Å; Y1114-K1121 WeakPolarHBondContact O-CA 3.31Å |
| 1122 | R | 84.3 | Confident | 79.5 | Confident | 112 Ų | 112 | 65.4 Ų | 65.4 | 42% | 0.423 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 167 | 170.2 | 71 | -176.9 | -162.8 | -167.7 | 8.5 | 110.5 | Q1113 Y1114 D1116 M1120 A1124 D1128 | Q1113-R1122 CarbonylContact C-O 3.56Å; Q1113-R1122 WeakPolarHBondContact CA-O 3.13Å; Y1114-R1122 PolarHBondContact N-O 3.01Å; Y1114-R1122 PolarHBondContact O-N 2.98Å; D1116-R1122 IonicContact OD2-CZ 3.19Å; D1116-R1122 IonicContact OD2-NE 3.7Å; D1116-R1122 IonicContact OD2-NH1 2.79Å; D1116-R1122 PolarHBondContact OD2-NH1 3.49Å; M1120-R1122 PolarHBondContact O-N 3.1Å; R1122-A1124 PolarHBondContact O-N 2.94Å; R1122-D1128 IonicContact NH2-OD1 2.62Å; R1122-D1128 PolarHBondContact NH2-OD1 2.81Å; R1122-D1128 IonicContact NH2-OD2 3.74Å |
| 1123 | E | 85 | Confident | 79.3 | Confident | 124 Ų | 124 | 65.3 Ų | 65.3 | 58% | 0.579 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 129.2 | 171.4 | -165.3 | 170.7 | -168.8 | 0 | 0 | 109.3 | N1111 | N1111-E1123 PolarHBondContact N-OE1 2.85Å |
| 1124 | A | 86.1 | Confident | 79 | Confident | 5 Ų | 5 | 63 Ų | 63 | 4% | 0.041 | 35% | 0.346 | C | S | . | . | trans | -67.7 | 148.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | V1109 L1112 R1122 | V1109-A1124 HydrophobicContact CG1-CB 4.19Å; V1109-A1124 WeakPolarHBondContact CG1-O 3.45Å; L1112-A1124 HydrophobicContact CB-CB 4.12Å; L1112-A1124 HydrophobicContact CD2-CB 4.08Å; L1112-A1124 HydrophobicContact CG-CB 4.18Å; L1112-A1124 PolarHBondContact O-N 3Å; R1122-A1124 PolarHBondContact O-N 2.94Å | ||
| 1125 | T | 86.9 | Confident | 78.8 | Confident | 66 Ų | 66 | 62.8 Ų | 62.8 | 41% | 0.405 | 35% | 0.347 | S | S | . | . | trans | -104.8 | 163.6 | 166.4 | 65.9 | 0 | 0 | 0 | 0 | 110.6 | D1127 D1128 L1129 | T1125-D1127 PolarHBondContact O-N 3.39Å; T1125-D1128 WeakPolarHBondContact CB-OD2 3.26Å; T1125-D1128 PolarHBondContact N-OD2 3.04Å; T1125-D1128 PolarHBondContact O-N 2.99Å; T1125-D1128 PolarHBondContact OG1-N 2.72Å; T1125-D1128 VanDerWaalsContact OG1-N 3.1Å; T1125-D1128 PolarHBondContact OG1-OD2 3.06Å; T1125-L1129 PolarHBondContact O-N 2.75Å | ||
| 1126 | A | 85.7 | Confident | 79.1 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 11% | 0.107 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.8 | -36.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | M1105 V1109 L1129 I1130 | M1105-A1126 HydrophobicContact CB-CB 4.17Å; V1109-A1126 HydrophobicContact CG2-CB 4.16Å; A1126-L1129 PolarHBondContact O-N 2.79Å; A1126-I1130 WeakPolarHBondContact O-CB 3.25Å; A1126-I1130 WeakPolarHBondContact O-CG1 2.92Å; A1126-I1130 PolarHBondContact O-N 3.36Å |
| 1127 | D | 82.4 | Confident | 79.5 | Confident | 91 Ų | 91 | 57.6 Ų | 57.6 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -73 | -32.1 | 179.5 | -55.9 | -46.8 | 0 | 0 | 0 | 112 | R1102 T1125 I1130 K1131 | R1102-D1127 IonicContact CZ-OD1 3.03Å; R1102-D1127 IonicContact NH1-OD1 2.64Å; R1102-D1127 PolarHBondContact NH1-OD1 3.33Å; R1102-D1127 IonicContact NH2-OD1 2.83Å; R1102-D1127 PolarHBondContact NH2-OD1 3.22Å; T1125-D1127 PolarHBondContact O-N 3.39Å; D1127-I1130 PolarHBondContact O-N 3.39Å; D1127-K1131 PolarHBondContact O-N 3.15Å |
| 1128 | D | 84.2 | Confident | 79.8 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 14% | 0.144 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.6 | -48.5 | 171 | -66 | -53.3 | 0 | 0 | 0 | 110.9 | R1122 T1125 K1131 V1132 | R1122-D1128 IonicContact NH2-OD1 2.62Å; R1122-D1128 PolarHBondContact NH2-OD1 2.81Å; R1122-D1128 IonicContact NH2-OD2 3.74Å; T1125-D1128 WeakPolarHBondContact CB-OD2 3.26Å; T1125-D1128 PolarHBondContact N-OD2 3.04Å; T1125-D1128 PolarHBondContact O-N 2.99Å; T1125-D1128 PolarHBondContact OG1-N 2.72Å; T1125-D1128 VanDerWaalsContact OG1-N 3.1Å; T1125-D1128 PolarHBondContact OG1-OD2 3.06Å; D1128-K1131 WeakPolarHBondContact O-CB 3.2Å; D1128-K1131 PolarHBondContact O-N 3.16Å; D1128-V1132 WeakPolarHBondContact O-CG2 3.39Å; D1128-V1132 PolarHBondContact O-N 2.78Å |
| 1129 | L | 86.2 | Confident | 80.2 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69 | -36.1 | 178.7 | -68 | -168.5 | 0 | 0 | 0 | 112.8 | M1054 F1097 V1109 L1112 T1125 A1126 K1131 V1132 V1133 | M1054-L1129 HydrophobicContact CE-CD1 4.38Å; M1054-L1129 HydrophobicContact CG-CD1 4.5Å; M1054-L1129 HydrophobicContact SD-CD1 4.14Å; M1054-L1129 HydrophobicContact SD-CD2 4.28Å; F1097-L1129 HydrophobicContact CD1-CB 4.29Å; F1097-L1129 HydrophobicContact CE1-CB 3.5Å; F1097-L1129 HydrophobicContact CE2-CD1 4.29Å; F1097-L1129 HydrophobicContact CZ-CB 3.72Å; F1097-L1129 HydrophobicContact CZ-CD1 4.04Å; V1109-L1129 HydrophobicContact CG2-CD1 3.57Å; V1109-L1129 HydrophobicContact CG2-CG 4.18Å; L1112-L1129 HydrophobicContact CD2-CD1 3.58Å; L1112-L1129 HydrophobicContact CD2-CD2 3.76Å; L1112-L1129 HydrophobicContact CD2-CG 4.1Å; T1125-L1129 PolarHBondContact O-N 2.75Å; A1126-L1129 PolarHBondContact O-N 2.79Å; L1129-K1131 VanDerWaalsContact C-N 3.27Å; L1129-K1131 PolarHBondContact O-N 3.5Å; L1129-V1132 PolarHBondContact O-N 3.14Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.46Å; L1129-V1133 PolarHBondContact O-N 3.4Å |
| 1130 | I | 79.5 | Confident | 80.6 | Confident | 15 Ų | 15 | 55.2 Ų | 55.2 | 8% | 0.077 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.4 | -48.1 | 173.7 | -74.9 | 165.6 | 0 | 0 | 0 | 109 | F1097 L1098 M1105 A1126 D1127 V1132 V1133 E1134 | F1097-I1130 HydrophobicContact CD1-CG1 4.49Å; F1097-I1130 HydrophobicContact CE1-CG1 3.82Å; L1098-I1130 HydrophobicContact CD2-CB 4.48Å; L1098-I1130 HydrophobicContact CD2-CG1 4.38Å; L1098-I1130 HydrophobicContact CD2-CG2 4.14Å; M1105-I1130 HydrophobicContact CE-CD1 4.28Å; M1105-I1130 HydrophobicContact CE-CG1 4.35Å; M1105-I1130 HydrophobicContact SD-CD1 4.02Å; M1105-I1130 HydrophobicContact SD-CG1 4.45Å; A1126-I1130 WeakPolarHBondContact O-CB 3.25Å; A1126-I1130 WeakPolarHBondContact O-CG1 2.92Å; A1126-I1130 PolarHBondContact O-N 3.36Å; D1127-I1130 PolarHBondContact O-N 3.39Å; I1130-V1132 PolarHBondContact O-N 3.5Å; I1130-V1133 PolarHBondContact O-N 3.35Å; I1130-E1134 HydrophobicContact CG2-CG 4.18Å; I1130-E1134 VanDerWaalsContact CG2-OE1 3.25Å; I1130-E1134 WeakPolarHBondContact CG2-OE1 3.38Å; I1130-E1134 WeakPolarHBondContact O-CB 3.18Å; I1130-E1134 VanDerWaalsContact O-CG 3.27Å; I1130-E1134 WeakPolarHBondContact O-CG 3.43Å; I1130-E1134 PolarHBondContact O-N 3.44Å |
| 1131 | K | 76 | Confident | 80.9 | Confident | 121 Ų | 121 | 50.6 Ų | 50.6 | 53% | 0.526 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60 | -45.2 | 178.3 | -174.4 | -174.9 | 173.6 | -165.9 | 0 | 112 | D1127 D1128 L1129 V1133 E1134 E1135 | D1127-K1131 PolarHBondContact O-N 3.15Å; D1128-K1131 WeakPolarHBondContact O-CB 3.2Å; D1128-K1131 PolarHBondContact O-N 3.16Å; L1129-K1131 VanDerWaalsContact C-N 3.27Å; L1129-K1131 PolarHBondContact O-N 3.5Å; K1131-V1133 PolarHBondContact O-N 3.35Å; K1131-E1134 PolarHBondContact O-N 2.87Å; K1131-E1135 WeakPolarHBondContact CE-OE1 3.32Å; K1131-E1135 IonicContact NZ-OE1 3.62Å; K1131-E1135 WeakPolarHBondContact O-CG 3.48Å; K1131-E1135 PolarHBondContact O-N 3.41Å |
| 1132 | V | 83.3 | Confident | 81 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.9 | -48.4 | 176.9 | 165.5 | 0 | 0 | 0 | 0 | 111.5 | W1047 L1051 Y1114 D1128 L1129 I1130 E1135 L1136 | W1047-V1132 HydrophobicContact CH2-CG1 4.32Å; W1047-V1132 HydrophobicContact CH2-CG2 3.94Å; W1047-V1132 HydrophobicContact CZ3-CB 4.38Å; W1047-V1132 HydrophobicContact CZ3-CG1 3.61Å; W1047-V1132 HydrophobicContact CZ3-CG2 3.89Å; L1051-V1132 HydrophobicContact CD2-CG1 4.25Å; Y1114-V1132 HydrophobicContact CE2-CG2 3.85Å; D1128-V1132 WeakPolarHBondContact O-CG2 3.39Å; D1128-V1132 PolarHBondContact O-N 2.78Å; L1129-V1132 PolarHBondContact O-N 3.14Å; I1130-V1132 PolarHBondContact O-N 3.5Å; V1132-E1135 PolarHBondContact O-N 2.81Å; V1132-L1136 HydrophobicContact CG1-CD1 4.21Å; V1132-L1136 WeakPolarHBondContact O-CG 3.41Å; V1132-L1136 PolarHBondContact O-N 3.36Å |
| 1133 | V | 84.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.5 | -38.4 | -179 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | M1054 I1094 E1095 F1097 L1098 L1129 I1130 K1131 E1135 L1136 T1137 | M1054-V1133 HydrophobicContact CE-CG2 3.44Å; M1054-V1133 VanDerWaalsContact CE-CG2 3.44Å; M1054-V1133 HydrophobicContact SD-CG2 4.26Å; I1094-V1133 HydrophobicContact CG2-CG1 4.32Å; I1094-V1133 HydrophobicContact CG2-CG2 3.79Å; E1095-V1133 HydrophobicContact CG-CG1 4.39Å; F1097-V1133 HydrophobicContact CB-CG2 4.42Å; F1097-V1133 HydrophobicContact CD1-CG2 4.12Å; L1098-V1133 HydrophobicContact CD1-CB 4.49Å; L1098-V1133 HydrophobicContact CD1-CG1 3.78Å; L1098-V1133 HydrophobicContact CD2-CB 4.19Å; L1098-V1133 HydrophobicContact CD2-CG1 4.19Å; L1098-V1133 HydrophobicContact CG-CB 4.25Å; L1098-V1133 HydrophobicContact CG-CG1 3.68Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.46Å; L1129-V1133 PolarHBondContact O-N 3.4Å; I1130-V1133 PolarHBondContact O-N 3.35Å; K1131-V1133 PolarHBondContact O-N 3.35Å; V1133-E1135 VanDerWaalsContact C-N 3.29Å; V1133-E1135 PolarHBondContact O-N 3.03Å; V1133-L1136 PolarHBondContact O-N 3.31Å; V1133-T1137 HydrophobicContact CG1-CG2 4.23Å; V1133-T1137 WeakPolarHBondContact O-CG2 3.38Å; V1133-T1137 PolarHBondContact O-N 3.18Å; V1133-T1137 PolarHBondContact O-OG1 3.44Å |
| 1134 | E | 75.3 | Confident | 80.6 | Confident | 70 Ų | 70 | 36.9 Ų | 36.9 | 33% | 0.327 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.3 | -30.5 | 173.3 | -74.8 | 175.5 | 177.4 | 0 | 0 | 113 | L1098 I1130 K1131 T1137 R1138 | L1098-E1134 HydrophobicContact CD1-CG 4.38Å; L1098-E1134 HydrophobicContact CD2-CG 4.3Å; I1130-E1134 HydrophobicContact CG2-CG 4.18Å; I1130-E1134 VanDerWaalsContact CG2-OE1 3.25Å; I1130-E1134 WeakPolarHBondContact CG2-OE1 3.38Å; I1130-E1134 WeakPolarHBondContact O-CB 3.18Å; I1130-E1134 VanDerWaalsContact O-CG 3.27Å; I1130-E1134 WeakPolarHBondContact O-CG 3.43Å; I1130-E1134 PolarHBondContact O-N 3.44Å; K1131-E1134 PolarHBondContact O-N 2.87Å; E1134-T1137 WeakPolarHBondContact CA-OG1 3.47Å; E1134-T1137 PolarHBondContact O-OG1 2.84Å; E1134-R1138 WeakPolarHBondContact O-CG 3.36Å |
| 1135 | E | 74 | Confident | 80.2 | Confident | 26 Ų | 26 | 38.9 Ų | 38.9 | 12% | 0.121 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -73.9 | -37.5 | 172.5 | -75.8 | 177.3 | 173.7 | 0 | 0 | 111.5 | K1131 V1132 V1133 R1138 | K1131-E1135 WeakPolarHBondContact CE-OE1 3.32Å; K1131-E1135 IonicContact NZ-OE1 3.62Å; K1131-E1135 WeakPolarHBondContact O-CG 3.48Å; K1131-E1135 PolarHBondContact O-N 3.41Å; V1132-E1135 PolarHBondContact O-N 2.81Å; V1133-E1135 VanDerWaalsContact C-N 3.29Å; V1133-E1135 PolarHBondContact O-N 3.03Å; E1135-R1138 PolarHBondContact O-N 3.31Å |
| 1136 | L | 81.5 | Confident | 79.8 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.7 | -37 | 174.5 | -71.4 | 170 | 0 | 0 | 0 | 112.2 | Y5 P1023 T1024 L1051 I1094 V1132 V1133 R1138 I1139 | Y5-L1136 HydrophobicContact CE2-CD1 4.23Å; P1023-L1136 HydrophobicContact CG-CD2 3.96Å; T1024-L1136 HydrophobicContact CG2-CD2 4.42Å; L1051-L1136 HydrophobicContact CD1-CD1 3.94Å; L1051-L1136 HydrophobicContact CD2-CD1 3.81Å; I1094-L1136 HydrophobicContact CG2-CD1 4.18Å; V1132-L1136 HydrophobicContact CG1-CD1 4.21Å; V1132-L1136 WeakPolarHBondContact O-CG 3.41Å; V1132-L1136 PolarHBondContact O-N 3.36Å; V1133-L1136 PolarHBondContact O-N 3.31Å; L1136-R1138 PolarHBondContact O-N 2.94Å; L1136-I1139 WeakPolarHBondContact O-CG1 3.38Å; L1136-I1139 PolarHBondContact O-N 2.64Å |
| 1137 | T | 76.6 | Confident | 79.4 | Confident | 28 Ų | 28 | 38.8 Ų | 38.8 | 17% | 0.172 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -68.5 | -13.4 | 178.7 | 61.6 | 0 | 0 | 0 | 0 | 113.2 | E1095 L1098 V1133 E1134 I1139 | E1095-T1137 VanDerWaalsContact CD-CG2 3.49Å; E1095-T1137 HydrophobicContact CG-CG2 3.68Å; E1095-T1137 VanDerWaalsContact OE1-CG2 3.23Å; E1095-T1137 WeakPolarHBondContact OE1-CG2 3.4Å; L1098-T1137 HydrophobicContact CD1-CG2 4.1Å; V1133-T1137 HydrophobicContact CG1-CG2 4.23Å; V1133-T1137 WeakPolarHBondContact O-CG2 3.38Å; V1133-T1137 PolarHBondContact O-N 3.18Å; V1133-T1137 PolarHBondContact O-OG1 3.44Å; E1134-T1137 WeakPolarHBondContact CA-OG1 3.47Å; E1134-T1137 PolarHBondContact O-OG1 2.84Å; T1137-I1139 VanDerWaalsContact C-N 3.33Å |
| 1138 | R | 74.1 | Confident | 79.1 | Confident | 128 Ų | 128 | 34.8 Ų | 34.8 | 48% | 0.483 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -81.7 | -7.8 | 175.2 | -70.1 | 172.8 | -171.4 | -157.5 | 1.9 | 113.6 | V1013 E1019 E1134 E1135 L1136 H1140 | V1013-R1138 WeakPolarHBondContact CB-O 3.49Å; V1013-R1138 VanDerWaalsContact CG1-O 3.3Å; V1013-R1138 WeakPolarHBondContact CG1-O 3.49Å; V1013-R1138 WeakPolarHBondContact CG2-O 3.23Å; E1019-R1138 IonicContact OE1-NH1 3.54Å; E1019-R1138 IonicContact OE2-NH1 2.71Å; E1134-R1138 WeakPolarHBondContact O-CG 3.36Å; E1135-R1138 PolarHBondContact O-N 3.31Å; L1136-R1138 PolarHBondContact O-N 2.94Å; R1138-H1140 VanDerWaalsContact C-N 3.32Å |
| 1139 | I | 77.9 | Confident | 78.7 | Confident | 19 Ų | 19 | 35.4 Ų | 35.4 | 10% | 0.097 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -83.3 | -10 | -178.2 | 77.4 | -170.7 | 0 | 0 | 0 | 112.8 | Y5 T1022 T1024 L1039 T1041 L1136 T1137 | Y5-I1139 HydrophobicContact CD1-CD1 4Å; Y5-I1139 HydrophobicContact CE1-CD1 3.9Å; T1022-I1139 HydrophobicContact CG2-CG2 4.23Å; T1024-I1139 HydrophobicContact CG2-CD1 4.2Å; L1039-I1139 HydrophobicContact CD2-CB 4.38Å; L1039-I1139 HydrophobicContact CD2-CD1 3.81Å; L1039-I1139 HydrophobicContact CD2-CG1 3.58Å; T1041-I1139 HydrophobicContact CG2-CD1 4.16Å; L1136-I1139 WeakPolarHBondContact O-CG1 3.38Å; L1136-I1139 PolarHBondContact O-N 2.64Å; T1137-I1139 VanDerWaalsContact C-N 3.33Å |
| 1140 | H | 75.6 | Confident | 78 | Confident | 14 Ų | 14 | 38.6 Ų | 38.6 | 7% | 0.065 | 17% | 0.172 | C | C | . | . | trans | -137.8 | 0 | -176.9 | 65.8 | 94.9 | 0 | 0 | 0 | 114.1 | V7 T8 A9 L1039 E1095 R1138 | V7-H1140 VanDerWaalsContact CG1-CD2 3.48Å; V7-H1140 WeakPolarHBondContact CG1-CD2 3.31Å; V7-H1140 WeakPolarHBondContact CG2-NE2 3.11Å; T8-H1140 PolarHBondContact O-CE1 3.11Å; T8-H1140 VanDerWaalsContact O-CE1 3.28Å; T8-H1140 PolarHBondContact O-ND1 2.92Å; A9-H1140 WeakPolarHBondContact CA-ND1 3.5Å; A9-H1140 HydrophobicContact CB-CB 3.89Å; L1039-H1140 HydrophobicContact CD2-CB 4.23Å; E1095-H1140 IonicContact OE1-CD2 3.65Å; E1095-H1140 IonicContact OE1-CE1 3.8Å; E1095-H1140 PolarHBondContact OE1-CE1 2.86Å; E1095-H1140 VanDerWaalsContact OE1-CE1 3.24Å; E1095-H1140 IonicContact OE1-NE2 3.86Å; E1095-H1140 PolarHBondContact OE1-NE2 3.48Å; R1138-H1140 VanDerWaalsContact C-N 3.32Å |
Retrieved 1,140 of 1,140 residues in 1219.6 ms
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