| 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 | 65.4 | Low | 88.5 | Confident | 169 Ų | 169 | 31.3 Ų | 31.3 | 83% | 0.833 | 17% | 0.168 | S | C | * | . | 0 | 141.3 | 0 | -65.4 | -172.9 | -164.3 | 0 | 0 | 107.1 | R1126 | M1-R1126 PolarHBondContact SD-NH2 3.17Š| |||
| 2 | S | 77.6 | Confident | 89 | Confident | 8 Ų | 8 | 28.8 Ų | 28.8 | 6% | 0.056 | 15% | 0.154 | C | C | . | . | trans | -118.7 | 135.6 | -164.7 | 21.8 | 0 | 0 | 0 | 0 | 108.9 | E1003 Y1015 R1126 | S2-E1003 WeakPolarHBondContact CB-OE1 3.39Å; S2-E1003 VanDerWaalsContact OG-CD 3.3Å; S2-E1003 PolarHBondContact OG-OE1 2.8Å; S2-Y1015 WeakPolarHBondContact CB-OH 3.32Å; S2-Y1015 WeakPolarHBondContact OG-CE1 3.43Å; S2-Y1015 PolarHBondContact OG-OH 3.42Å; S2-R1126 WeakPolarHBondContact O-CD 3.41Å | ||
| 3 | Y | 92.6 | Very high | 89.4 | Confident | 30 Ų | 30 | 27.8 Ų | 27.8 | 12% | 0.118 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 146.9 | -176.6 | -61.9 | -88.7 | 0 | 0 | 0 | 109 | Q1081 I1082 E1084 F1087 R1126 | Y3-Q1081 CarbonylContact O-C 3.58Å; Y3-Q1081 VanDerWaalsContact O-CA 3.31Å; Y3-Q1081 WeakPolarHBondContact O-CA 3.13Å; Y3-I1082 PolarHBondContact O-N 3.26Å; Y3-E1084 HydrophobicContact CD2-CB 3.94Å; Y3-E1084 HydrophobicContact CD2-CG 4.36Å; Y3-E1084 HydrophobicContact CE2-CB 3.43Å; Y3-E1084 VanDerWaalsContact CE2-CB 3.43Å; Y3-E1084 HydrophobicContact CE2-CG 3.5Å; Y3-F1087 HydrophobicContact CD1-CB 3.89Å; Y3-F1087 AromaticContact CD1-CD1 3.39Å; Y3-F1087 HydrophobicContact CD1-CD1 3.39Å; Y3-F1087 AromaticContact CD1-CD2 3.52Å; Y3-F1087 HydrophobicContact CD1-CD2 3.52Å; Y3-F1087 AromaticContact CD1-CE1 3.74Å; Y3-F1087 HydrophobicContact CD1-CE1 3.74Å; Y3-F1087 AromaticContact CD1-CE2 3.85Å; Y3-F1087 HydrophobicContact CD1-CE2 3.85Å; Y3-F1087 AromaticContact CD1-CG 3.28Å; Y3-F1087 HydrophobicContact CD1-CG 3.28Å; Y3-F1087 AromaticContact CD1-CZ 3.96Å; Y3-F1087 HydrophobicContact CD1-CZ 3.96Å; Y3-F1087 HydrophobicContact CD2-CB 4.31Å; Y3-F1087 AromaticContact CE1-CD1 3.58Å; Y3-F1087 HydrophobicContact CE1-CD1 3.58Å; Y3-F1087 HydrophobicContact CE1-CD2 4.49Å; Y3-F1087 AromaticContact CE1-CE1 3.8Å; Y3-F1087 HydrophobicContact CE1-CE1 3.8Å; Y3-F1087 AromaticContact CE1-CG 3.96Å; Y3-F1087 HydrophobicContact CE1-CG 3.96Å; Y3-F1087 HydrophobicContact CE1-CZ 4.35Å; Y3-F1087 HydrophobicContact CG-CB 3.71Å; Y3-F1087 HydrophobicContact CG-CD1 4.12Å; Y3-F1087 AromaticContact CG-CD2 3.91Å; Y3-F1087 HydrophobicContact CG-CD2 3.91Å; Y3-F1087 AromaticContact CG-CG 3.63Å; Y3-F1087 HydrophobicContact CG-CG 3.63Å; Y3-R1126 HydrophobicContact CD1-CB 4.28Å; Y3-R1126 HydrophobicContact CD1-CG 4.33Å; Y3-R1126 HydrophobicContact CE1-CG 4.4Å |
| 4 | N | 94.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 143.5 | -171.3 | -56.9 | -71.9 | 0 | 0 | 0 | 111.4 | Y1015 V1079 C1080 R1126 F1127 V1128 | N4-Y1015 VanDerWaalsContact ND2-CD2 3.34Å; N4-Y1015 WeakPolarHBondContact ND2-CD2 3.26Å; N4-V1079 HydrophobicContact CB-CG1 4.36Å; N4-C1080 CarbonylContact C-O 3.5Å; N4-C1080 WeakPolarHBondContact CA-O 3.44Å; N4-R1126 PolarHBondContact N-O 3.44Å; N4-F1127 HydrophobicContact CB-CD1 3.52Å; N4-F1127 HydrophobicContact CB-CE1 3.43Å; N4-F1127 VanDerWaalsContact CB-CE1 3.43Å; N4-F1127 HydrophobicContact CB-CG 4.22Å; N4-F1127 HydrophobicContact CB-CZ 4.06Å; N4-F1127 CarbonylContact O-C 3.54Å; N4-F1127 WeakPolarHBondContact O-CA 3.43Å; N4-V1128 PolarHBondContact O-N 2.91Å |
| 5 | Y | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 127.6 | 169.3 | 179.9 | -93.6 | 0 | 0 | 0 | 108.2 | V7 V1079 C1080 L1090 V1128 G1130 I1133 E1134 L1176 I1179 | Y5-V7 HydrophobicContact CD1-CB 4.44Å; Y5-V7 HydrophobicContact CD1-CG1 4.33Å; Y5-V7 HydrophobicContact CE1-CB 3.74Å; Y5-V7 HydrophobicContact CE1-CG1 3.77Å; Y5-V1079 WeakPolarHBondContact O-CA 3.41Å; Y5-C1080 PolarHBondContact N-O 2.84Å; Y5-C1080 PolarHBondContact O-N 3.36Å; Y5-L1090 HydrophobicContact CD2-CD1 4.36Å; Y5-V1128 HydrophobicContact CD2-CB 4.15Å; Y5-V1128 HydrophobicContact CD2-CG1 3.92Å; Y5-V1128 HydrophobicContact CE2-CG1 4.24Å; Y5-G1130 VanDerWaalsContact CE2-CA 3.42Å; Y5-G1130 WeakPolarHBondContact OH-CA 3.42Å; Y5-I1133 HydrophobicContact CE2-CG1 4.44Å; Y5-E1134 PolarHBondContact OH-OE1 3.03Å; Y5-L1176 HydrophobicContact CD2-CD1 3.99Å; Y5-L1176 HydrophobicContact CE1-CB 4.25Å; Y5-L1176 HydrophobicContact CE2-CD1 3.99Å; Y5-L1176 HydrophobicContact CG-CD1 4.35Å; Y5-I1179 HydrophobicContact CD1-CD1 3.95Å; Y5-I1179 HydrophobicContact CE1-CD1 4.01Å |
| 6 | V | 95.2 | Very high | 90.2 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.7 | -178.9 | 175 | 0 | 0 | 0 | 0 | 108.5 | F1013 F1037 L1039 Y1069 V1078 V1079 F1127 V1128 G1130 | V6-F1013 HydrophobicContact CG1-CE2 4.45Å; V6-F1037 HydrophobicContact CB-CE1 4.4Å; V6-F1037 HydrophobicContact CG1-CE1 4.04Å; V6-F1037 HydrophobicContact CG1-CZ 4.45Å; V6-L1039 HydrophobicContact CG1-CD1 4.24Å; V6-Y1069 HydrophobicContact CG1-CE1 4.39Å; V6-V1078 WeakPolarHBondContact CA-O 3.37Å; V6-V1079 HydrophobicContact CG1-CG2 4.38Å; V6-V1079 HydrophobicContact CG2-CB 4.38Å; V6-V1079 HydrophobicContact CG2-CG1 3.92Å; V6-V1079 HydrophobicContact CG2-CG2 3.86Å; V6-F1127 HydrophobicContact CG2-CD1 3.38Å; V6-F1127 HydrophobicContact CG2-CE1 3.53Å; V6-V1128 PolarHBondContact N-O 2.84Å; V6-G1130 WeakPolarHBondContact O-CA 3.47Å; V6-G1130 PolarHBondContact O-N 2.87Å |
| 7 | V | 93.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 144.6 | 178.6 | 64.4 | 0 | 0 | 0 | 0 | 111.7 | Y5 G1077 V1078 E1134 I1179 | Y5-V7 HydrophobicContact CD1-CB 4.44Å; Y5-V7 HydrophobicContact CD1-CG1 4.33Å; Y5-V7 HydrophobicContact CE1-CB 3.74Å; Y5-V7 HydrophobicContact CE1-CG1 3.77Å; V7-G1077 CarbonylContact O-C 3.48Å; V7-G1077 WeakPolarHBondContact O-CA 3.36Å; V7-V1078 HydrophobicContact CG1-CB 4.17Å; V7-V1078 PolarHBondContact N-O 2.81Å; V7-V1078 PolarHBondContact O-N 3.45Å; V7-E1134 WeakPolarHBondContact CG2-OE1 3.42Å; V7-I1179 HydrophobicContact CG1-CD1 4.3Å |
| 8 | T | 92 | Very high | 90.5 | Very high | 34 Ų | 34 | 24.9 Ų | 24.9 | 21% | 0.209 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 118.3 | 171.6 | -65 | 0 | 0 | 0 | 0 | 110.6 | H10 P11 D1131 | T8-H10 WeakPolarHBondContact CG2-O 3.42Å; T8-P11 HydrophobicContact CG2-CB 4.26Å; T8-D1131 WeakPolarHBondContact CB-OD1 3.04Å; T8-D1131 PolarHBondContact N-OD1 2.81Å; T8-D1131 PolarHBondContact OG1-OD2 3.46Å |
| 9 | A | 88.3 | Confident | 90.6 | Very high | 17 Ų | 17 | 25.1 Ų | 25.1 | 14% | 0.14 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | -42.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | L738 L1076 V1078 H1180 | A9-L738 HydrophobicContact CB-CD1 3.88Å; A9-L1076 WeakPolarHBondContact CA-O 3.29Å; A9-L1076 PolarHBondContact N-O 2.9Å; A9-V1078 HydrophobicContact CB-CG2 4.3Å; A9-H1180 HydrophobicContact CB-CB 3.79Å |
| 10 | H | 89.3 | Confident | 90.7 | Very high | 36 Ų | 36 | 25.3 Ų | 25.3 | 17% | 0.167 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 123.3 | 171.5 | -167.5 | -77.7 | 0 | 0 | 0 | 109.1 | T8 T13 S1075 L1076 | T8-H10 WeakPolarHBondContact CG2-O 3.42Å; H10-T13 VanDerWaalsContact CE1-CG2 3.47Å; H10-T13 WeakPolarHBondContact CE1-CG2 3.34Å; H10-S1075 CarbonylContact O-C 3.39Å; H10-S1075 WeakPolarHBondContact O-CA 3.36Å; H10-S1075 WeakPolarHBondContact O-CB 3.15Å; H10-L1076 HydrophobicContact CB-CB 3.92Å; H10-L1076 HydrophobicContact CB-CD1 4.37Å; H10-L1076 HydrophobicContact CB-CG 4.45Å; H10-L1076 PolarHBondContact N-O 2.56Å; H10-L1076 PolarHBondContact O-N 3.41Å |
| 11 | P | 91.5 | Very high | 90.6 | Very high | 47 Ų | 47 | 25 Ų | 25 | 31% | 0.305 | 14% | 0.144 | S | C | . | . | trans | -73.3 | 162.5 | -175.4 | 32.4 | -36.9 | 0 | 0 | 0 | 112.7 | T8 T13 R38 | T8-P11 HydrophobicContact CG2-CB 4.26Å; P11-T13 PolarHBondContact O-N 3.21Å; P11-R38 VanDerWaalsContact CB-NH1 3.34Å; P11-R38 VanDerWaalsContact CG-NH1 3.32Å | ||
| 12 | S | 93.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.007 | 11% | 0.112 | C | C | . | . | trans | -53.5 | 128.1 | 178.9 | 52 | 0 | 0 | 0 | 0 | 112.3 | K35 R38 E1041 E1073 | S12-K35 PolarHBondContact OG-O 3.09Å; S12-R38 PolarHBondContact O-NH2 3.44Å; S12-E1041 WeakPolarHBondContact CB-OE1 3.45Å; S12-E1073 CarbonylContact C-O 3.58Å; S12-E1073 WeakPolarHBondContact CA-O 3.32Å | ||
| 13 | T | 94.1 | Very high | 92.7 | Very high | 16 Ų | 16 | 18.2 Ų | 18.2 | 10% | 0.098 | 11% | 0.11 | C | C | . | . | trans | -105.2 | -23 | -176.9 | 42 | 0 | 0 | 0 | 0 | 112.9 | H10 P11 V15 N365 L366 E1073 G1074 | H10-T13 VanDerWaalsContact CE1-CG2 3.47Å; H10-T13 WeakPolarHBondContact CE1-CG2 3.34Å; P11-T13 PolarHBondContact O-N 3.21Å; T13-V15 PolarHBondContact O-N 2.8Å; T13-N365 PolarHBondContact OG1-OD1 2.86Å; T13-L366 HydrophobicContact CG2-CD1 3.84Å; T13-L366 PolarHBondContact OG1-N 3.29Å; T13-E1073 PolarHBondContact N-O 3.12Å; T13-G1074 PolarHBondContact OG1-O 2.99Å | ||
| 14 | A | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -64.1 | 128.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T16 R336 N365 E1073 | A14-T16 PolarHBondContact O-N 2.86Å; A14-R336 HydrophobicContact CB-CG 3.95Å; A14-N365 WeakPolarHBondContact CA-OD1 3.38Å; A14-N365 PolarHBondContact N-OD1 2.89Å; A14-E1073 WeakPolarHBondContact CB-O 3.01Å; A14-E1073 PolarHBondContact N-O 3.45Å | ||
| 15 | V | 94.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | trans | -83.2 | 113.8 | 174.8 | -179 | 0 | 0 | 0 | 0 | 108.4 | T13 L17 A18 M33 F34 S335 S340 | T13-V15 PolarHBondContact O-N 2.8Å; V15-L17 WeakPolarHBondContact CG1-O 3.47Å; V15-A18 HydrophobicContact CG1-CB 4.41Å; V15-M33 HydrophobicContact CB-CG 4.44Å; V15-M33 HydrophobicContact CG1-CG 3.87Å; V15-M33 HydrophobicContact CG2-CG 3.72Å; V15-M33 HydrophobicContact CG2-SD 3.61Å; V15-F34 WeakPolarHBondContact CA-O 3.41Å; V15-S335 PolarHBondContact N-O 3.28Å; V15-S340 WeakPolarHBondContact CG2-OG 3.19Å | ||
| 16 | T | 91.8 | Very high | 92.1 | Very high | 35 Ų | 35 | 21.8 Ų | 21.8 | 22% | 0.215 | 14% | 0.138 | C | C | . | . | trans | -90.9 | -21.9 | -179.3 | 56 | 0 | 0 | 0 | 0 | 112.8 | A14 F34 | A14-T16 PolarHBondContact O-N 2.86Å; T16-F34 PolarHBondContact N-O 3.07Å; T16-F34 PolarHBondContact OG1-O 2.82Å | ||
| 17 | L | 92.3 | Very high | 91.7 | Very high | 46 Ų | 46 | 28.6 Ų | 28.6 | 24% | 0.241 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 148.8 | 175.9 | 176.5 | 65.2 | 0 | 0 | 0 | 108.1 | V15 L19 F34 A64 | V15-L17 WeakPolarHBondContact CG1-O 3.47Å; L17-L19 HydrophobicContact CD1-CD2 4.13Å; L17-L19 HydrophobicContact CD2-CD1 4.31Å; L17-L19 HydrophobicContact CD2-CD2 4.29Å; L17-L19 HydrophobicContact CD2-CG 4.21Å; L17-L19 HydrophobicContact CG-CD2 4.27Å; L17-L19 HydrophobicContact CG-CG 4.23Å; L17-F34 HydrophobicContact CB-CB 4.02Å; L17-F34 HydrophobicContact CB-CD2 4.04Å; L17-F34 HydrophobicContact CB-CG 4.24Å; L17-F34 HydrophobicContact CD2-CD2 4.1Å; L17-F34 HydrophobicContact CD2-CE2 4.33Å; L17-F34 HydrophobicContact CG-CD2 4Å; L17-F34 WeakPolarHBondContact O-CB 3.33Å; L17-F34 WeakPolarHBondContact O-CD2 3.42Å; L17-F34 PolarHBondContact O-N 3.04Å; L17-A64 HydrophobicContact CD2-CB 3.81Å |
| 18 | A | 93.9 | Very high | 91.6 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 4% | 0.041 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 144.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | V15 L31 L32 S322 C324 F332 | V15-A18 HydrophobicContact CG1-CB 4.41Å; A18-L31 HydrophobicContact CB-CD1 4.14Å; A18-L32 CarbonylContact C-O 3.45Å; A18-L32 VanDerWaalsContact CA-O 3.26Å; A18-L32 WeakPolarHBondContact CA-O 3.41Å; A18-S322 WeakPolarHBondContact CB-OG 3.46Å; A18-S322 PolarHBondContact N-OG 3.16Å; A18-S322 VanDerWaalsContact N-OG 3.17Å; A18-C324 VanDerWaalsContact C-SG 3.5Å; A18-C324 PolarHBondContact O-SG 3.45Å; A18-F332 HydrophobicContact CB-CD1 3.9Å; A18-F332 HydrophobicContact CB-CE1 3.65Å |
| 19 | L | 92.8 | Very high | 91.6 | Very high | 29 Ų | 29 | 30.6 Ų | 30.6 | 15% | 0.152 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 138.1 | 178.7 | -59.4 | 174.6 | 0 | 0 | 0 | 109.2 | L17 L32 F34 A64 L66 L94 | L17-L19 HydrophobicContact CD1-CD2 4.13Å; L17-L19 HydrophobicContact CD2-CD1 4.31Å; L17-L19 HydrophobicContact CD2-CD2 4.29Å; L17-L19 HydrophobicContact CD2-CG 4.21Å; L17-L19 HydrophobicContact CG-CD2 4.27Å; L17-L19 HydrophobicContact CG-CG 4.23Å; L19-L32 PolarHBondContact N-O 2.77Å; L19-L32 PolarHBondContact O-N 3.31Å; L19-F34 HydrophobicContact CB-CE2 4.36Å; L19-F34 HydrophobicContact CD1-CE2 3.69Å; L19-F34 HydrophobicContact CD1-CZ 4.01Å; L19-F34 HydrophobicContact CG-CE2 3.87Å; L19-A64 HydrophobicContact CD1-CB 4.21Å; L19-L66 HydrophobicContact CB-CD1 4.09Å; L19-L66 HydrophobicContact CB-CG 4.26Å; L19-L66 HydrophobicContact CD1-CG 4.24Å; L19-L94 HydrophobicContact CD1-CD1 4.2Å |
| 20 | S | 91.7 | Very high | 91.9 | Very high | 28 Ų | 28 | 29.8 Ų | 29.8 | 20% | 0.196 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 143 | 170 | 59.9 | 0 | 0 | 0 | 0 | 111.5 | D30 L66 F277 Y325 | S20-D30 WeakPolarHBondContact CA-O 3.47Å; S20-L66 WeakPolarHBondContact O-CD1 3.4Å; S20-F277 WeakPolarHBondContact OG-CE2 3.46Å; S20-F277 VanDerWaalsContact OG-CZ 3.3Å; S20-F277 WeakPolarHBondContact OG-CZ 3.29Å; S20-Y325 PolarHBondContact OG-O 2.88Å |
| 21 | G | 89.8 | Confident | 92.1 | Very high | 21 Ų | 21 | 28 Ų | 28 | 22% | 0.216 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.6 | -175 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F23 D30 | G21-F23 PolarHBondContact O-N 2.87Å; G21-D30 PolarHBondContact N-O 3.39Å; G21-D30 WeakPolarHBondContact O-CA 3.46Å; G21-D30 VanDerWaalsContact O-CB 3.28Å; G21-D30 WeakPolarHBondContact O-CB 3.48Å; G21-D30 PolarHBondContact O-N 3.29Å |
| 22 | N | 91.7 | Very high | 92.3 | Very high | 33 Ų | 33 | 25.8 Ų | 25.8 | 18% | 0.176 | 16% | 0.157 | C | C | . | . | trans | -97.1 | 68.8 | -174.7 | 64.6 | -19.8 | 0 | 0 | 0 | 111.6 | S25 P26 S28 N90 S92 | N22-S25 CarbonylContact C-O 3.17Å; N22-S25 WeakPolarHBondContact CB-O 3.47Å; N22-P26 WeakPolarHBondContact CB-O 3.35Å; N22-P26 PolarHBondContact ND2-O 2.84Å; N22-S28 VanDerWaalsContact CA-O 3.32Å; N22-S28 WeakPolarHBondContact CA-O 3.48Å; N22-S28 VanDerWaalsContact CB-O 3.31Å; N22-S28 WeakPolarHBondContact CB-O 3.21Å; N22-N90 PolarHBondContact ND2-O 3.05Å; N22-S92 PolarHBondContact O-N 2.81Å; N22-S92 WeakPolarHBondContact OD1-CB 3.29Å; N22-S92 PolarHBondContact OD1-N 2.78Å; N22-S92 PolarHBondContact OD1-OG 2.84Å | ||
| 23 | F | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -86.9 | -35.8 | -171.2 | -178.9 | -114.3 | 0 | 0 | 0 | 113.8 | G21 D30 L32 V41 L66 K91 S92 L94 Y108 V113 | G21-F23 PolarHBondContact O-N 2.87Å; F23-D30 HydrophobicContact CB-CB 4.35Å; F23-D30 PolarHBondContact N-OD2 3.44Å; F23-L32 HydrophobicContact CB-CD1 3.94Å; F23-L32 HydrophobicContact CD1-CD1 4.43Å; F23-L32 HydrophobicContact CD1-CD2 3.95Å; F23-L32 HydrophobicContact CD1-CG 4.44Å; F23-L32 HydrophobicContact CE1-CD2 4.17Å; F23-L32 HydrophobicContact CG-CD1 4.28Å; F23-L32 HydrophobicContact CG-CD2 4.21Å; F23-V41 HydrophobicContact CD1-CG1 4.05Å; F23-V41 HydrophobicContact CD1-CG2 4.35Å; F23-V41 HydrophobicContact CE1-CG2 4.14Å; F23-L66 HydrophobicContact CB-CD2 4.35Å; F23-L66 HydrophobicContact CD2-CD2 4.03Å; F23-L66 HydrophobicContact CG-CD2 4.42Å; F23-K91 WeakPolarHBondContact O-CE 3.24Å; F23-S92 WeakPolarHBondContact CD2-O 3.4Å; F23-L94 HydrophobicContact CD2-CB 4.3Å; F23-L94 HydrophobicContact CE2-CB 3.66Å; F23-L94 HydrophobicContact CZ-CB 4.18Å; F23-Y108 HydrophobicContact CE1-CD2 4.25Å; F23-Y108 HydrophobicContact CE1-CG 4.43Å; F23-Y108 WeakPolarHBondContact O-CB 3.47Å; F23-V113 HydrophobicContact CE1-CG2 3.96Å; F23-V113 HydrophobicContact CZ-CG2 4.23Å |
| 24 | T | 92.4 | Very high | 92.5 | Very high | 18 Ų | 18 | 25 Ų | 25 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -83.7 | -41.5 | -178.4 | 64.9 | 0 | 0 | 0 | 0 | 111.5 | S28 D30 V41 R52 K91 Y108 | T24-S28 PolarHBondContact OG1-OG 2.77Å; T24-D30 WeakPolarHBondContact CG2-OD1 3.42Å; T24-D30 PolarHBondContact N-OD2 2.95Å; T24-D30 VanDerWaalsContact OG1-CG 3.22Å; T24-D30 PolarHBondContact OG1-OD1 2.92Å; T24-D30 PolarHBondContact OG1-OD2 2.82Å; T24-V41 HydrophobicContact CG2-CG1 3.66Å; T24-R52 HydrophobicContact CG2-CG 4.49Å; T24-K91 VanDerWaalsContact O-CE 3.27Å; T24-K91 WeakPolarHBondContact O-CE 3.39Å; T24-K91 PolarHBondContact O-NZ 3.41Å; T24-Y108 HydrophobicContact CG2-CD1 4Å; T24-Y108 HydrophobicContact CG2-CD2 4.44Å; T24-Y108 HydrophobicContact CG2-CE1 4.04Å; T24-Y108 HydrophobicContact CG2-CG 4.2Å |
| 25 | S | 90 | Very high | 92.4 | Very high | 43 Ų | 43 | 26 Ų | 26 | 30% | 0.301 | 16% | 0.156 | S | C | . | . | trans | -145.9 | 161.4 | 174.7 | 72.3 | 0 | 0 | 0 | 0 | 110.8 | N22 D27 S28 | N22-S25 CarbonylContact C-O 3.17Å; N22-S25 WeakPolarHBondContact CB-O 3.47Å; S25-D27 PolarHBondContact O-N 2.81Å; S25-S28 PolarHBondContact N-OG 2.94Å; S25-S28 PolarHBondContact O-N 2.89Å; S25-S28 PolarHBondContact O-OG 2.8Å; S25-S28 WeakPolarHBondContact OG-CB 3.16Å; S25-S28 PolarHBondContact OG-N 2.8Å; S25-S28 VanDerWaalsContact OG-N 3.12Å; S25-S28 PolarHBondContact OG-OG 2.88Å | ||
| 26 | P | 87.3 | Confident | 92.3 | Very high | 45 Ų | 45 | 26 Ų | 26 | 29% | 0.292 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -33.2 | 176.1 | -23.2 | 32.7 | 0 | 0 | 0 | 114.1 | N22 K91 | N22-P26 WeakPolarHBondContact CB-O 3.35Å; N22-P26 PolarHBondContact ND2-O 2.84Å; P26-K91 HydrophobicContact CG-CB 4.11Å |
| 27 | D | 87.6 | Confident | 92.3 | Very high | 144 Ų | 144 | 25.9 Ų | 25.9 | 77% | 0.77 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -8 | -173.5 | -55.9 | -41.2 | 0 | 0 | 0 | 113.5 | S25 | S25-D27 PolarHBondContact O-N 2.81Š|
| 28 | S | 90 | Very high | 92.4 | Very high | 16 Ų | 16 | 24.9 Ų | 24.9 | 11% | 0.112 | 15% | 0.148 | C | C | . | . | trans | -85.6 | 145.8 | -179.8 | 52.9 | 0 | 0 | 0 | 0 | 111.4 | N22 T24 S25 D30 | N22-S28 VanDerWaalsContact CA-O 3.32Å; N22-S28 WeakPolarHBondContact CA-O 3.48Å; N22-S28 VanDerWaalsContact CB-O 3.31Å; N22-S28 WeakPolarHBondContact CB-O 3.21Å; T24-S28 PolarHBondContact OG1-OG 2.77Å; S25-S28 PolarHBondContact N-OG 2.94Å; S25-S28 PolarHBondContact O-N 2.89Å; S25-S28 PolarHBondContact O-OG 2.8Å; S25-S28 WeakPolarHBondContact OG-CB 3.16Å; S25-S28 PolarHBondContact OG-N 2.8Å; S25-S28 VanDerWaalsContact OG-N 3.12Å; S25-S28 PolarHBondContact OG-OG 2.88Å; S28-D30 PolarHBondContact OG-OD2 3.06Å | ||
| 29 | V | 91.7 | Very high | 92.4 | Very high | 61 Ų | 61 | 24.7 Ų | 24.7 | 37% | 0.37 | 15% | 0.146 | S | C | . | . | trans | -96 | 114.3 | 160.3 | -175.8 | 0 | 0 | 0 | 0 | 107.4 | V44 L326 | V29-V44 HydrophobicContact CB-CB 4.22Å; V29-V44 HydrophobicContact CB-CG2 4.13Å; V29-V44 HydrophobicContact CG1-CG2 3.96Å; V29-V44 WeakPolarHBondContact O-CB 3.24Å; V29-V44 WeakPolarHBondContact O-CG2 3.43Å; V29-V44 PolarHBondContact O-N 3.25Å; V29-L326 HydrophobicContact CG1-CB 4.31Å; V29-L326 HydrophobicContact CG1-CD2 4.31Å; V29-L326 WeakPolarHBondContact CG1-O 3.29Å | ||
| 30 | D | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 147 | 178.8 | -54.5 | -69.1 | 0 | 0 | 0 | 111 | S20 G21 F23 T24 S28 F42 T43 | S20-D30 WeakPolarHBondContact CA-O 3.47Å; G21-D30 PolarHBondContact N-O 3.39Å; G21-D30 WeakPolarHBondContact O-CA 3.46Å; G21-D30 VanDerWaalsContact O-CB 3.28Å; G21-D30 WeakPolarHBondContact O-CB 3.48Å; G21-D30 PolarHBondContact O-N 3.29Å; F23-D30 HydrophobicContact CB-CB 4.35Å; F23-D30 PolarHBondContact N-OD2 3.44Å; T24-D30 WeakPolarHBondContact CG2-OD1 3.42Å; T24-D30 PolarHBondContact N-OD2 2.95Å; T24-D30 VanDerWaalsContact OG1-CG 3.22Å; T24-D30 PolarHBondContact OG1-OD1 2.92Å; T24-D30 PolarHBondContact OG1-OD2 2.82Å; S28-D30 PolarHBondContact OG-OD2 3.06Å; D30-F42 CarbonylContact C-O 3.45Å; D30-F42 WeakPolarHBondContact CA-O 3.29Å; D30-F42 WeakPolarHBondContact CB-O 3.31Å; D30-T43 WeakPolarHBondContact OD1-CA 3.28Å; D30-T43 WeakPolarHBondContact OD1-CB 3.15Å; D30-T43 WeakPolarHBondContact OD1-CG2 3.48Å; D30-T43 PolarHBondContact OD1-OG1 3.36Å |
| 31 | L | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 121.6 | 171.7 | 173.5 | 72 | 0 | 0 | 0 | 108 | A18 M33 F42 L49 C324 L326 F332 | A18-L31 HydrophobicContact CB-CD1 4.14Å; L31-M33 HydrophobicContact CD2-CE 4.42Å; L31-F42 HydrophobicContact CB-CB 4.25Å; L31-F42 PolarHBondContact N-O 2.75Å; L31-F42 PolarHBondContact O-N 2.94Å; L31-L49 HydrophobicContact CB-CD2 4.21Å; L31-L49 HydrophobicContact CD2-CD1 3.71Å; L31-L49 HydrophobicContact CD2-CD2 4.11Å; L31-C324 HydrophobicContact CD1-CB 4.1Å; L31-L326 HydrophobicContact CB-CD1 4.49Å; L31-L326 HydrophobicContact CB-CD2 4.14Å; L31-L326 HydrophobicContact CD1-CD2 4.23Å; L31-L326 HydrophobicContact CD2-CD1 4.45Å; L31-F332 HydrophobicContact CD1-CB 4.32Å; L31-F332 HydrophobicContact CD1-CD1 3.77Å; L31-F332 HydrophobicContact CD1-CE1 4.38Å; L31-F332 HydrophobicContact CD1-CG 4.1Å; L31-F332 HydrophobicContact CD2-CB 4.17Å; L31-F332 HydrophobicContact CD2-CD1 3.91Å; L31-F332 HydrophobicContact CD2-CD2 3.74Å; L31-F332 HydrophobicContact CD2-CE1 4.26Å; L31-F332 HydrophobicContact CD2-CE2 4.11Å; L31-F332 HydrophobicContact CD2-CG 3.63Å; L31-F332 HydrophobicContact CD2-CZ 4.37Å; L31-F332 HydrophobicContact CG-CD1 4.46Å |
| 32 | L | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 114.8 | 172 | -65.6 | 88.4 | 0 | 0 | 0 | 108.9 | A18 L19 F23 F34 F39 E40 L66 L94 | A18-L32 CarbonylContact C-O 3.45Å; A18-L32 VanDerWaalsContact CA-O 3.26Å; A18-L32 WeakPolarHBondContact CA-O 3.41Å; L19-L32 PolarHBondContact N-O 2.77Å; L19-L32 PolarHBondContact O-N 3.31Å; F23-L32 HydrophobicContact CB-CD1 3.94Å; F23-L32 HydrophobicContact CD1-CD1 4.43Å; F23-L32 HydrophobicContact CD1-CD2 3.95Å; F23-L32 HydrophobicContact CD1-CG 4.44Å; F23-L32 HydrophobicContact CE1-CD2 4.17Å; F23-L32 HydrophobicContact CG-CD1 4.28Å; F23-L32 HydrophobicContact CG-CD2 4.21Å; L32-F34 HydrophobicContact CB-CE2 3.74Å; L32-F34 HydrophobicContact CB-CZ 4.14Å; L32-F34 HydrophobicContact CD2-CZ 4.38Å; L32-F39 HydrophobicContact CD2-CD2 4.36Å; L32-F39 HydrophobicContact CD2-CE2 4.4Å; L32-E40 CarbonylContact C-O 3.54Å; L32-E40 WeakPolarHBondContact CA-O 3.24Å; L32-L66 HydrophobicContact CD1-CD1 3.99Å; L32-L66 HydrophobicContact CD1-CD2 4.09Å; L32-L66 HydrophobicContact CD1-CG 4.47Å; L32-L66 HydrophobicContact CD2-CD2 4.38Å; L32-L94 HydrophobicContact CD2-CD1 4.38Å; L32-L94 HydrophobicContact CD2-CD2 3.74Å |
| 33 | M | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 117.5 | -179.6 | -170.1 | -174.1 | -55.9 | 0 | 0 | 109.9 | V15 L31 K35 F39 E40 F42 F332 F363 | V15-M33 HydrophobicContact CB-CG 4.44Å; V15-M33 HydrophobicContact CG1-CG 3.87Å; V15-M33 HydrophobicContact CG2-CG 3.72Å; V15-M33 HydrophobicContact CG2-SD 3.61Å; L31-M33 HydrophobicContact CD2-CE 4.42Å; M33-K35 WeakPolarHBondContact SD-CE 3.49Å; M33-F39 CarbonylContact O-C 3.57Å; M33-F39 WeakPolarHBondContact O-CA 3.37Å; M33-F39 WeakPolarHBondContact O-CB 3.36Å; M33-E40 HydrophobicContact CB-CB 4.45Å; M33-E40 PolarHBondContact N-O 2.83Å; M33-E40 PolarHBondContact O-N 3.27Å; M33-F42 HydrophobicContact CB-CD2 4.49Å; M33-F42 HydrophobicContact CB-CE2 4.15Å; M33-F42 HydrophobicContact CE-CE2 3.88Å; M33-F42 HydrophobicContact CE-CZ 4.38Å; M33-F332 HydrophobicContact CE-CE1 4.28Å; M33-F332 HydrophobicContact CE-CE2 3.6Å; M33-F332 HydrophobicContact CE-CZ 3.35Å; M33-F332 HydrophobicContact CG-CZ 4.44Å; M33-F332 HydrophobicContact SD-CZ 4.23Å; M33-F363 HydrophobicContact CE-CD1 4.32Å; M33-F363 HydrophobicContact CE-CE1 4.32Å; M33-F363 HydrophobicContact CE-CG 4.46Å; M33-F363 HydrophobicContact CE-CZ 4.46Å |
| 34 | F | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 130.4 | -177.9 | -62.1 | -97 | 0 | 0 | 0 | 110.8 | V15 T16 L17 L19 L32 F39 I61 A64 L94 I96 | V15-F34 WeakPolarHBondContact CA-O 3.41Å; T16-F34 PolarHBondContact N-O 3.07Å; T16-F34 PolarHBondContact OG1-O 2.82Å; L17-F34 HydrophobicContact CB-CB 4.02Å; L17-F34 HydrophobicContact CB-CD2 4.04Å; L17-F34 HydrophobicContact CB-CG 4.24Å; L17-F34 HydrophobicContact CD2-CD2 4.1Å; L17-F34 HydrophobicContact CD2-CE2 4.33Å; L17-F34 HydrophobicContact CG-CD2 4Å; L17-F34 WeakPolarHBondContact O-CB 3.33Å; L17-F34 WeakPolarHBondContact O-CD2 3.42Å; L17-F34 PolarHBondContact O-N 3.04Å; L19-F34 HydrophobicContact CB-CE2 4.36Å; L19-F34 HydrophobicContact CD1-CE2 3.69Å; L19-F34 HydrophobicContact CD1-CZ 4.01Å; L19-F34 HydrophobicContact CG-CE2 3.87Å; L32-F34 HydrophobicContact CB-CE2 3.74Å; L32-F34 HydrophobicContact CB-CZ 4.14Å; L32-F34 HydrophobicContact CD2-CZ 4.38Å; F34-F39 HydrophobicContact CD1-CB 3.55Å; F34-F39 HydrophobicContact CD1-CG 4.21Å; F34-F39 HydrophobicContact CE1-CB 3.79Å; F34-F39 HydrophobicContact CE1-CD1 4.25Å; F34-F39 AromaticContact CE1-CG 3.98Å; F34-F39 HydrophobicContact CE1-CG 3.98Å; F34-F39 HydrophobicContact CG-CB 4.04Å; F34-F39 HydrophobicContact CZ-CB 4.45Å; F34-I61 HydrophobicContact CD1-CD1 3.63Å; F34-I61 HydrophobicContact CD1-CG2 4.08Å; F34-I61 HydrophobicContact CE1-CD1 4.23Å; F34-A64 HydrophobicContact CD1-CB 4.49Å; F34-A64 HydrophobicContact CE1-CB 3.84Å; F34-A64 HydrophobicContact CE2-CB 4.43Å; F34-A64 HydrophobicContact CZ-CB 3.82Å; F34-L94 HydrophobicContact CE1-CD2 4.34Å; F34-L94 HydrophobicContact CZ-CD1 3.86Å; F34-L94 HydrophobicContact CZ-CD2 4.13Å; F34-I96 HydrophobicContact CE1-CD1 4.31Å |
| 35 | K | 94.1 | Very high | 92.6 | Very high | 20 Ų | 20 | 24.2 Ų | 24.2 | 9% | 0.087 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 80.3 | 179.2 | -60.6 | 176.5 | -177.1 | 162.5 | 0 | 109 | S12 M33 N37 R38 E40 | S12-K35 PolarHBondContact OG-O 3.09Å; M33-K35 WeakPolarHBondContact SD-CE 3.49Å; K35-N37 PolarHBondContact O-N 3.28Å; K35-R38 CarbonylContact C-O 3.46Å; K35-R38 HydrophobicContact CB-CG 3.92Å; K35-R38 PolarHBondContact N-O 2.78Å; K35-R38 WeakPolarHBondContact O-CG 3.48Å; K35-R38 PolarHBondContact O-N 2.8Å; K35-R38 VanDerWaalsContact O-N 3.16Å; K35-E40 IonicContact NZ-OE1 3.81Å; K35-E40 PolarHBondContact NZ-OE1 3.34Å; K35-E40 IonicContact NZ-OE2 3.79Å; K35-E40 PolarHBondContact NZ-OE2 2.83Å |
| 36 | T | 92 | Very high | 92.4 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | -86.2 | 177.1 | -47.2 | 0 | 0 | 0 | 0 | 114.9 | R60 I61 E1041 E1073 | T36-R60 HydrophobicContact CG2-CG 3.91Å; T36-I61 WeakPolarHBondContact O-CB 3.43Å; T36-I61 WeakPolarHBondContact O-CG1 3.19Å; T36-I61 PolarHBondContact O-N 2.91Å; T36-E1041 HydrophobicContact CG2-CG 4.17Å; T36-E1073 HydrophobicContact CG2-CG 4.47Å; T36-E1073 WeakPolarHBondContact OG1-CG 3.45Å |
| 37 | N | 92.3 | Very high | 92.2 | Very high | 33 Ų | 33 | 27.1 Ų | 27.1 | 18% | 0.176 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 6.8 | -176.9 | 71.4 | -13.9 | 0 | 0 | 0 | 113.3 | K35 L57 A59 | K35-N37 PolarHBondContact O-N 3.28Å; N37-L57 PolarHBondContact O-N 3.34Å; N37-A59 VanDerWaalsContact CA-O 3.25Å; N37-A59 WeakPolarHBondContact CA-O 3.32Å; N37-A59 VanDerWaalsContact CB-O 3.3Å; N37-A59 WeakPolarHBondContact CB-O 3.22Å |
| 38 | R | 92.8 | Very high | 91.9 | Very high | 26 Ų | 26 | 29 Ų | 29 | 10% | 0.098 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 159.9 | 176.7 | 65.2 | 178.1 | 176.8 | 173.4 | 4.8 | 110.9 | P11 S12 K35 E40 V55 K56 | P11-R38 VanDerWaalsContact CB-NH1 3.34Å; P11-R38 VanDerWaalsContact CG-NH1 3.32Å; S12-R38 PolarHBondContact O-NH2 3.44Å; K35-R38 CarbonylContact C-O 3.46Å; K35-R38 HydrophobicContact CB-CG 3.92Å; K35-R38 PolarHBondContact N-O 2.78Å; K35-R38 WeakPolarHBondContact O-CG 3.48Å; K35-R38 PolarHBondContact O-N 2.8Å; K35-R38 VanDerWaalsContact O-N 3.16Å; R38-E40 IonicContact CZ-OE1 3.55Å; R38-V55 CarbonylContact C-O 3.53Å; R38-V55 WeakPolarHBondContact CA-O 3.49Å; R38-V55 WeakPolarHBondContact CB-O 3.46Å; R38-K56 HydrophobicContact CB-CG 4.24Å |
| 39 | F | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 151.3 | 165.6 | 67 | -86.9 | 0 | 0 | 0 | 110.8 | L32 M33 F34 V41 V55 L57 I61 L94 I96 L106 V113 | L32-F39 HydrophobicContact CD2-CD2 4.36Å; L32-F39 HydrophobicContact CD2-CE2 4.4Å; M33-F39 CarbonylContact O-C 3.57Å; M33-F39 WeakPolarHBondContact O-CA 3.37Å; M33-F39 WeakPolarHBondContact O-CB 3.36Å; F34-F39 HydrophobicContact CD1-CB 3.55Å; F34-F39 HydrophobicContact CD1-CG 4.21Å; F34-F39 HydrophobicContact CE1-CB 3.79Å; F34-F39 HydrophobicContact CE1-CD1 4.25Å; F34-F39 AromaticContact CE1-CG 3.98Å; F34-F39 HydrophobicContact CE1-CG 3.98Å; F34-F39 HydrophobicContact CG-CB 4.04Å; F34-F39 HydrophobicContact CZ-CB 4.45Å; F39-V41 HydrophobicContact CD2-CG2 3.98Å; F39-V41 HydrophobicContact CE2-CG2 3.78Å; F39-V55 HydrophobicContact CD1-CB 4.05Å; F39-V55 HydrophobicContact CD1-CG1 4.38Å; F39-V55 HydrophobicContact CD2-CB 4.4Å; F39-V55 HydrophobicContact CE1-CB 3.56Å; F39-V55 HydrophobicContact CE1-CG1 3.57Å; F39-V55 HydrophobicContact CE1-CG2 4.26Å; F39-V55 HydrophobicContact CE2-CB 3.96Å; F39-V55 HydrophobicContact CE2-CG2 3.85Å; F39-V55 HydrophobicContact CG-CB 4.44Å; F39-V55 HydrophobicContact CZ-CB 3.52Å; F39-V55 HydrophobicContact CZ-CG1 3.72Å; F39-V55 HydrophobicContact CZ-CG2 3.68Å; F39-V55 PolarHBondContact N-O 2.98Å; F39-V55 PolarHBondContact O-N 3.07Å; F39-L57 HydrophobicContact CD1-CD1 4.37Å; F39-L57 HydrophobicContact CE1-CD1 4.27Å; F39-L57 HydrophobicContact CE1-CG 4.48Å; F39-I61 HydrophobicContact CD1-CD1 4.26Å; F39-L94 HydrophobicContact CE1-CD2 4.44Å; F39-L94 HydrophobicContact CE2-CD2 4.02Å; F39-L94 HydrophobicContact CZ-CD2 3.97Å; F39-I96 HydrophobicContact CD1-CD1 4.43Å; F39-I96 HydrophobicContact CE1-CD1 4.15Å; F39-L106 HydrophobicContact CE1-CD1 3.99Å; F39-L106 HydrophobicContact CZ-CD1 3.91Å; F39-V113 HydrophobicContact CE2-CG2 4.39Å; F39-V113 HydrophobicContact CZ-CG1 4.2Å; F39-V113 HydrophobicContact CZ-CG2 4.43Å |
| 40 | E | 94.6 | Very high | 91.7 | Very high | 19 Ų | 19 | 29.6 Ų | 29.6 | 9% | 0.089 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 130.9 | -178.3 | -70.2 | 163.8 | -163.3 | 0 | 0 | 108.4 | L32 M33 K35 R38 F42 L51 T54 | L32-E40 CarbonylContact C-O 3.54Å; L32-E40 WeakPolarHBondContact CA-O 3.24Å; M33-E40 HydrophobicContact CB-CB 4.45Å; M33-E40 PolarHBondContact N-O 2.83Å; M33-E40 PolarHBondContact O-N 3.27Å; K35-E40 IonicContact NZ-OE1 3.81Å; K35-E40 PolarHBondContact NZ-OE1 3.34Å; K35-E40 IonicContact NZ-OE2 3.79Å; K35-E40 PolarHBondContact NZ-OE2 2.83Å; R38-E40 IonicContact CZ-OE1 3.55Å; E40-F42 HydrophobicContact CB-CD2 4.16Å; E40-F42 HydrophobicContact CB-CE2 3.45Å; E40-F42 VanDerWaalsContact CB-CE2 3.45Å; E40-F42 HydrophobicContact CB-CZ 4.12Å; E40-F42 HydrophobicContact CG-CE2 4.48Å; E40-F42 WeakPolarHBondContact OE2-CZ 3.45Å; E40-L51 HydrophobicContact CB-CD1 3.82Å; E40-L51 HydrophobicContact CG-CD1 4.19Å; E40-T54 HydrophobicContact CG-CG2 4.04Å |
| 41 | V | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 114.2 | 178.8 | -176.9 | 0 | 0 | 0 | 0 | 107.9 | F23 T24 F39 R52 Q53 V113 | F23-V41 HydrophobicContact CD1-CG1 4.05Å; F23-V41 HydrophobicContact CD1-CG2 4.35Å; F23-V41 HydrophobicContact CE1-CG2 4.14Å; T24-V41 HydrophobicContact CG2-CG1 3.66Å; F39-V41 HydrophobicContact CD2-CG2 3.98Å; F39-V41 HydrophobicContact CE2-CG2 3.78Å; V41-R52 HydrophobicContact CG1-CB 4.46Å; V41-R52 WeakPolarHBondContact O-CB 3.3Å; V41-R52 PolarHBondContact O-N 2.95Å; V41-Q53 PolarHBondContact N-O 2.94Å; V41-Q53 PolarHBondContact O-N 2.88Å; V41-V113 HydrophobicContact CG2-CG2 4.5Å |
| 42 | F | 94.2 | Very high | 91.1 | Very high | 12 Ų | 12 | 40 Ų | 40 | 5% | 0.053 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 143.6 | 174.6 | -63.8 | -94.4 | 0 | 0 | 0 | 110.1 | D30 L31 M33 E40 L49 N50 L51 F363 | D30-F42 CarbonylContact C-O 3.45Å; D30-F42 WeakPolarHBondContact CA-O 3.29Å; D30-F42 WeakPolarHBondContact CB-O 3.31Å; L31-F42 HydrophobicContact CB-CB 4.25Å; L31-F42 PolarHBondContact N-O 2.75Å; L31-F42 PolarHBondContact O-N 2.94Å; M33-F42 HydrophobicContact CB-CD2 4.49Å; M33-F42 HydrophobicContact CB-CE2 4.15Å; M33-F42 HydrophobicContact CE-CE2 3.88Å; M33-F42 HydrophobicContact CE-CZ 4.38Å; E40-F42 HydrophobicContact CB-CD2 4.16Å; E40-F42 HydrophobicContact CB-CE2 3.45Å; E40-F42 VanDerWaalsContact CB-CE2 3.45Å; E40-F42 HydrophobicContact CB-CZ 4.12Å; E40-F42 HydrophobicContact CG-CE2 4.48Å; E40-F42 WeakPolarHBondContact OE2-CZ 3.45Å; F42-L49 HydrophobicContact CB-CB 4.23Å; F42-L49 HydrophobicContact CB-CD2 4.02Å; F42-L49 HydrophobicContact CD1-CB 3.84Å; F42-L49 HydrophobicContact CG-CB 4.31Å; F42-N50 CarbonylContact C-O 3.55Å; F42-N50 VanDerWaalsContact CA-O 3.31Å; F42-N50 WeakPolarHBondContact CA-O 3.26Å; F42-L51 HydrophobicContact CD1-CB 3.91Å; F42-L51 HydrophobicContact CD1-CD1 4.26Å; F42-L51 HydrophobicContact CD2-CD1 4.46Å; F42-L51 HydrophobicContact CE1-CB 3.67Å; F42-L51 HydrophobicContact CE1-CD1 3.9Å; F42-L51 HydrophobicContact CE1-CG 4.32Å; F42-L51 HydrophobicContact CE2-CD1 4.11Å; F42-L51 HydrophobicContact CZ-CB 4.4Å; F42-L51 HydrophobicContact CZ-CD1 3.81Å; F42-F363 HydrophobicContact CZ-CE1 4.41Å |
| 43 | T | 93.8 | Very high | 90.8 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 4% | 0.043 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 135.4 | 167.2 | -55.1 | 0 | 0 | 0 | 0 | 108.9 | D30 C45 N50 R52 | D30-T43 WeakPolarHBondContact OD1-CA 3.28Å; D30-T43 WeakPolarHBondContact OD1-CB 3.15Å; D30-T43 WeakPolarHBondContact OD1-CG2 3.48Å; D30-T43 PolarHBondContact OD1-OG1 3.36Å; T43-C45 PolarHBondContact O-N 2.78Å; T43-N50 PolarHBondContact N-O 3.45Å; T43-N50 PolarHBondContact O-N 3.41Å; T43-R52 VanDerWaalsContact OG1-CG 3.26Å; T43-R52 WeakPolarHBondContact OG1-CG 3.23Å; T43-R52 PolarHBondContact OG1-NE 3.22Å; T43-R52 VanDerWaalsContact OG1-NE 3.13Å |
| 44 | V | 92 | Very high | 90.6 | Very high | 28 Ų | 28 | 44 Ų | 44 | 17% | 0.17 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 123.6 | 175.6 | -178.7 | 0 | 0 | 0 | 0 | 109.3 | V29 L49 L326 L330 | V29-V44 HydrophobicContact CB-CB 4.22Å; V29-V44 HydrophobicContact CB-CG2 4.13Å; V29-V44 HydrophobicContact CG1-CG2 3.96Å; V29-V44 WeakPolarHBondContact O-CB 3.24Å; V29-V44 WeakPolarHBondContact O-CG2 3.43Å; V29-V44 PolarHBondContact O-N 3.25Å; V44-L49 HydrophobicContact CG2-CD2 3.89Å; V44-L326 HydrophobicContact CG2-CB 4.15Å; V44-L326 HydrophobicContact CG2-CD1 4.03Å; V44-L326 HydrophobicContact CG2-CG 4.5Å; V44-L330 HydrophobicContact CG1-CD1 3.84Å |
| 45 | C | 87.8 | Confident | 90.4 | Very high | 54 Ų | 54 | 44.3 Ų | 44.3 | 37% | 0.365 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 98.8 | 176.1 | -74.8 | 0 | 0 | 0 | 0 | 109.3 | T43 N47 R48 N50 | T43-C45 PolarHBondContact O-N 2.78Å; C45-N47 PolarHBondContact O-N 3.44Å; C45-R48 PolarHBondContact N-O 2.8Å; C45-R48 PolarHBondContact O-N 2.93Å; C45-N50 WeakPolarHBondContact CB-ND2 3.24Å; C45-N50 PolarHBondContact SG-ND2 3.19Å |
| 46 | G | 84.4 | Confident | 90.2 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 59% | 0.588 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | -122.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 47 | N | 83.3 | Confident | 90.2 | Very high | 91 Ų | 91 | 49.7 Ų | 49.7 | 49% | 0.487 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 14.2 | 178.2 | -65.1 | 2.5 | 0 | 0 | 0 | 113.2 | C45 L330 I360 | C45-N47 PolarHBondContact O-N 3.44Å; N47-L330 HydrophobicContact CB-CD2 4.47Å; N47-I360 HydrophobicContact CB-CD1 4.45Å; N47-I360 VanDerWaalsContact O-CG2 3.26Å; N47-I360 WeakPolarHBondContact O-CG2 3.39Å |
| 48 | R | 82.2 | Confident | 90.2 | Very high | 184 Ų | 184 | 50 Ų | 50 | 69% | 0.694 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 155.8 | -177.9 | -67.2 | -172.2 | 179.5 | -176.8 | -0.2 | 112.1 | C45 | C45-R48 PolarHBondContact N-O 2.8Å; C45-R48 PolarHBondContact O-N 2.93Å |
| 49 | L | 87.7 | Confident | 90.1 | Very high | 11 Ų | 11 | 48.8 Ų | 48.8 | 6% | 0.058 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 123.5 | 172.9 | -69.7 | 168.8 | 0 | 0 | 0 | 109.9 | L31 F42 V44 L326 L342 F363 | L31-L49 HydrophobicContact CB-CD2 4.21Å; L31-L49 HydrophobicContact CD2-CD1 3.71Å; L31-L49 HydrophobicContact CD2-CD2 4.11Å; F42-L49 HydrophobicContact CB-CB 4.23Å; F42-L49 HydrophobicContact CB-CD2 4.02Å; F42-L49 HydrophobicContact CD1-CB 3.84Å; F42-L49 HydrophobicContact CG-CB 4.31Å; V44-L49 HydrophobicContact CG2-CD2 3.89Å; L49-L326 HydrophobicContact CD2-CD1 4Å; L49-L342 HydrophobicContact CD1-CB 4.46Å; L49-L342 HydrophobicContact CD1-CD1 4.19Å; L49-L342 HydrophobicContact CD1-CD2 4Å; L49-L342 HydrophobicContact CD1-CG 4.45Å; L49-L342 HydrophobicContact CG-CD2 3.94Å; L49-F363 HydrophobicContact CD1-CE2 4.2Å; L49-F363 HydrophobicContact CD1-CZ 3.81Å |
| 50 | N | 88.2 | Confident | 90 | Very high | 78 Ų | 78 | 50.9 Ų | 50.9 | 42% | 0.417 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 114.8 | 174 | -79.1 | -28.6 | 0 | 0 | 0 | 109.8 | F42 T43 C45 R52 | F42-N50 CarbonylContact C-O 3.55Å; F42-N50 VanDerWaalsContact CA-O 3.31Å; F42-N50 WeakPolarHBondContact CA-O 3.26Å; T43-N50 PolarHBondContact N-O 3.45Å; T43-N50 PolarHBondContact O-N 3.41Å; C45-N50 WeakPolarHBondContact CB-ND2 3.24Å; C45-N50 PolarHBondContact SG-ND2 3.19Å; N50-R52 PolarHBondContact O-N 3.09Å |
| 51 | L | 89.3 | Confident | 90 | Very high | 87 Ų | 87 | 50.6 Ų | 50.6 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 117.8 | 174.8 | -179.7 | 64.7 | 0 | 0 | 0 | 110 | E40 F42 | E40-L51 HydrophobicContact CB-CD1 3.82Å; E40-L51 HydrophobicContact CG-CD1 4.19Å; F42-L51 HydrophobicContact CD1-CB 3.91Å; F42-L51 HydrophobicContact CD1-CD1 4.26Å; F42-L51 HydrophobicContact CD2-CD1 4.46Å; F42-L51 HydrophobicContact CE1-CB 3.67Å; F42-L51 HydrophobicContact CE1-CD1 3.9Å; F42-L51 HydrophobicContact CE1-CG 4.32Å; F42-L51 HydrophobicContact CE2-CD1 4.11Å; F42-L51 HydrophobicContact CZ-CB 4.4Å; F42-L51 HydrophobicContact CZ-CD1 3.81Å |
| 52 | R | 89.5 | Confident | 89.8 | Confident | 133 Ų | 133 | 52.5 Ų | 52.5 | 50% | 0.502 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -48.9 | 176.1 | -65.2 | -63.2 | -169 | 171.9 | -1.1 | 111.9 | T24 V41 T43 N50 | T24-R52 HydrophobicContact CG2-CG 4.49Å; V41-R52 HydrophobicContact CG1-CB 4.46Å; V41-R52 WeakPolarHBondContact O-CB 3.3Å; V41-R52 PolarHBondContact O-N 2.95Å; T43-R52 VanDerWaalsContact OG1-CG 3.26Å; T43-R52 WeakPolarHBondContact OG1-CG 3.23Å; T43-R52 PolarHBondContact OG1-NE 3.22Å; T43-R52 VanDerWaalsContact OG1-NE 3.13Å; N50-R52 PolarHBondContact O-N 3.09Å |
| 53 | Q | 89.5 | Confident | 89.7 | Confident | 30 Ų | 30 | 52.5 Ų | 52.5 | 14% | 0.14 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 142.5 | -173.9 | -171.9 | 169.8 | 12.1 | 0 | 0 | 111.4 | V41 V55 | V41-Q53 PolarHBondContact N-O 2.94Å; V41-Q53 PolarHBondContact O-N 2.88Å; Q53-V55 HydrophobicContact CG-CG2 3.97Å |
| 54 | T | 90.4 | Very high | 89.7 | Confident | 52 Ų | 52 | 52.7 Ų | 52.7 | 32% | 0.319 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 124.8 | 165.3 | -55.8 | 0 | 0 | 0 | 0 | 108.9 | E40 | E40-T54 HydrophobicContact CG-CG2 4.04Å |
| 55 | V | 91.3 | Very high | 89.8 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 121.4 | -179.1 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | R38 F39 Q53 L57 V113 A1104 | R38-V55 CarbonylContact C-O 3.53Å; R38-V55 WeakPolarHBondContact CA-O 3.49Å; R38-V55 WeakPolarHBondContact CB-O 3.46Å; F39-V55 HydrophobicContact CD1-CB 4.05Å; F39-V55 HydrophobicContact CD1-CG1 4.38Å; F39-V55 HydrophobicContact CD2-CB 4.4Å; F39-V55 HydrophobicContact CE1-CB 3.56Å; F39-V55 HydrophobicContact CE1-CG1 3.57Å; F39-V55 HydrophobicContact CE1-CG2 4.26Å; F39-V55 HydrophobicContact CE2-CB 3.96Å; F39-V55 HydrophobicContact CE2-CG2 3.85Å; F39-V55 HydrophobicContact CG-CB 4.44Å; F39-V55 HydrophobicContact CZ-CB 3.52Å; F39-V55 HydrophobicContact CZ-CG1 3.72Å; F39-V55 HydrophobicContact CZ-CG2 3.68Å; F39-V55 PolarHBondContact N-O 2.98Å; F39-V55 PolarHBondContact O-N 3.07Å; Q53-V55 HydrophobicContact CG-CG2 3.97Å; V55-L57 HydrophobicContact CG1-CD2 4.27Å; V55-V113 HydrophobicContact CG2-CB 3.88Å; V55-V113 HydrophobicContact CG2-CG2 3.72Å; V55-A1104 HydrophobicContact CG1-CB 3.54Å |
| 56 | K | 89.7 | Confident | 90.1 | Very high | 132 Ų | 132 | 51.1 Ų | 51.1 | 57% | 0.574 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 133.1 | 174.1 | -68.5 | -174.7 | 178.4 | -176.4 | 0 | 110.6 | R38 S1103 | R38-K56 HydrophobicContact CB-CG 4.24Å; K56-S1103 PolarHBondContact O-OG 2.82Å |
| 57 | L | 91.5 | Very high | 90.4 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | trans | -113.5 | 142.1 | 178.5 | -60 | 178.3 | 0 | 0 | 0 | 110.1 | N37 F39 V55 A59 I61 I96 A1104 L1107 | N37-L57 PolarHBondContact O-N 3.34Å; F39-L57 HydrophobicContact CD1-CD1 4.37Å; F39-L57 HydrophobicContact CE1-CD1 4.27Å; F39-L57 HydrophobicContact CE1-CG 4.48Å; V55-L57 HydrophobicContact CG1-CD2 4.27Å; L57-A59 PolarHBondContact O-N 2.81Å; L57-I61 HydrophobicContact CD1-CD1 3.75Å; L57-I61 HydrophobicContact CD1-CG1 3.85Å; L57-I96 HydrophobicContact CD1-CD1 3.89Å; L57-A1104 HydrophobicContact CD2-CB 3.8Å; L57-A1104 WeakPolarHBondContact CD2-O 3.49Å; L57-L1107 HydrophobicContact CB-CD1 3.9Å; L57-L1107 HydrophobicContact CD2-CD1 4.24Å | ||
| 58 | H | 92.2 | Very high | 90.7 | Very high | 38 Ų | 38 | 46.3 Ų | 46.3 | 18% | 0.176 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -79 | 53 | 166 | -66.3 | 176.9 | 0 | 0 | 0 | 110.5 | S1103 L1107 H1109 W1112 | H58-S1103 VanDerWaalsContact CG-CB 3.47Å; H58-S1103 PolarHBondContact N-OG 2.68Å; H58-S1103 WeakPolarHBondContact ND1-CB 3.26Å; H58-L1107 HydrophobicContact CB-CB 4.04Å; H58-H1109 AromaticContact CE1-CD2 3.82Å; H58-H1109 WeakPolarHBondContact ND1-CB 3.23Å; H58-H1109 AromaticContact ND1-CD2 3.94Å; H58-W1112 HydrophobicContact CB-CB 3.92Å; H58-W1112 HydrophobicContact CB-CG 3.95Å; H58-W1112 VanDerWaalsContact O-CB 3.24Å; H58-W1112 WeakPolarHBondContact O-CB 3.24Å |
| 59 | A | 91.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -164.3 | 152.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | N37 L57 T98 L1107 | N37-A59 VanDerWaalsContact CA-O 3.25Å; N37-A59 WeakPolarHBondContact CA-O 3.32Å; N37-A59 VanDerWaalsContact CB-O 3.3Å; N37-A59 WeakPolarHBondContact CB-O 3.22Å; L57-A59 PolarHBondContact O-N 2.81Å; A59-T98 HydrophobicContact CB-CG2 3.5Å; A59-L1107 HydrophobicContact CB-CD1 3.67Å |
| 60 | R | 92.7 | Very high | 89.9 | Confident | 43 Ų | 43 | 40 Ų | 40 | 16% | 0.162 | 20% | 0.203 | C | C | . | . | trans | -81.5 | 121.8 | 163.2 | -174.4 | 170.5 | -176.4 | 126.8 | -2.9 | 109.1 | T36 A62 T98 L99 G1040 E1073 W1112 | T36-R60 HydrophobicContact CG2-CG 3.91Å; R60-A62 PolarHBondContact O-N 2.9Å; R60-T98 WeakPolarHBondContact O-CA 3.44Å; R60-L99 HydrophobicContact CB-CB 4.22Å; R60-L99 PolarHBondContact O-N 2.96Å; R60-G1040 PolarHBondContact NH1-O 3.11Å; R60-E1073 IonicContact CZ-OE1 3.92Å; R60-E1073 VanDerWaalsContact CZ-OE1 3.24Å; R60-E1073 IonicContact NH1-OE1 3.08Å; R60-E1073 PolarHBondContact NH1-OE1 2.89Å; R60-E1073 IonicContact NH2-OE1 3.25Å; R60-E1073 PolarHBondContact NH2-OE1 2.92Å; R60-W1112 HydrophobicContact CB-CH2 3.98Å; R60-W1112 HydrophobicContact CB-CZ3 4.1Å; R60-W1112 VanDerWaalsContact N-CZ3 3.27Å | ||
| 61 | I | 92.9 | Very high | 88.8 | Confident | 13 Ų | 13 | 39.4 Ų | 39.4 | 7% | 0.067 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 120.7 | 176.7 | -58.8 | 170.8 | 0 | 0 | 0 | 107.2 | F34 T36 F39 L57 A64 I96 | F34-I61 HydrophobicContact CD1-CD1 3.63Å; F34-I61 HydrophobicContact CD1-CG2 4.08Å; F34-I61 HydrophobicContact CE1-CD1 4.23Å; T36-I61 WeakPolarHBondContact O-CB 3.43Å; T36-I61 WeakPolarHBondContact O-CG1 3.19Å; T36-I61 PolarHBondContact O-N 2.91Å; F39-I61 HydrophobicContact CD1-CD1 4.26Å; L57-I61 HydrophobicContact CD1-CD1 3.75Å; L57-I61 HydrophobicContact CD1-CG1 3.85Å; I61-A64 HydrophobicContact CG2-CB 4.39Å; I61-I96 HydrophobicContact CG1-CG2 4.31Å; I61-I96 HydrophobicContact CG2-CG2 4.09Å |
| 62 | A | 90.8 | Very high | 87.1 | Confident | 41 Ų | 41 | 36.5 Ų | 36.5 | 34% | 0.339 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -41.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R60 A97 M132 | R60-A62 PolarHBondContact O-N 2.9Å; A62-A97 PolarHBondContact N-O 3.09Å; A62-M132 HydrophobicContact CB-CB 4.08Å; A62-M132 HydrophobicContact CB-SD 4.13Å |
| 63 | A | 91.8 | Very high | 84.6 | Confident | 12 Ų | 12 | 38.3 Ų | 38.3 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 150.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | A97 M132 L134 | A63-A97 HydrophobicContact CB-CB 4.48Å; A63-A97 PolarHBondContact N-O 3.09Å; A63-A97 VanDerWaalsContact N-O 3.12Å; A63-A97 PolarHBondContact O-N 3.46Å; A63-M132 WeakPolarHBondContact CB-O 3.27Å; A63-L134 HydrophobicContact CB-CB 3.63Å |
| 64 | A | 94.3 | Very high | 82 | Confident | 11 Ų | 11 | 41.4 Ų | 41.4 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 152.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L17 L19 F34 I61 L94 A95 I96 | L17-A64 HydrophobicContact CD2-CB 3.81Å; L19-A64 HydrophobicContact CD1-CB 4.21Å; F34-A64 HydrophobicContact CD1-CB 4.49Å; F34-A64 HydrophobicContact CE1-CB 3.84Å; F34-A64 HydrophobicContact CE2-CB 4.43Å; F34-A64 HydrophobicContact CZ-CB 3.82Å; I61-A64 HydrophobicContact CG2-CB 4.39Å; A64-L94 HydrophobicContact CB-CD1 4.22Å; A64-A95 CarbonylContact C-O 3.55Å; A64-A95 WeakPolarHBondContact CA-O 3.27Å; A64-A95 WeakPolarHBondContact CB-O 3.4Å; A64-I96 HydrophobicContact CB-CG1 4.03Å |
| 65 | T | 94 | Very high | 79.3 | Confident | 26 Ų | 26 | 45.5 Ų | 45.5 | 16% | 0.16 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 147.5 | 174.4 | -168.8 | 0 | 0 | 0 | 0 | 111.2 | A95 L134 W136 F143 | T65-A95 HydrophobicContact CG2-CB 4.2Å; T65-A95 PolarHBondContact N-O 2.8Å; T65-A95 PolarHBondContact O-N 3.29Å; T65-L134 HydrophobicContact CG2-CD2 3.94Å; T65-L134 HydrophobicContact CG2-CG 4.03Å; T65-W136 HydrophobicContact CG2-CB 4.12Å; T65-F143 HydrophobicContact CG2-CD1 3.98Å; T65-F143 HydrophobicContact CG2-CE1 3.95Å |
| 66 | L | 93.4 | Very high | 76.2 | Confident | 22 Ų | 22 | 54.3 Ų | 54.3 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 143.9 | 170.4 | -71.6 | 173.4 | 0 | 0 | 0 | 109.7 | L19 S20 F23 L32 C93 L94 | L19-L66 HydrophobicContact CB-CD1 4.09Å; L19-L66 HydrophobicContact CB-CG 4.26Å; L19-L66 HydrophobicContact CD1-CG 4.24Å; S20-L66 WeakPolarHBondContact O-CD1 3.4Å; F23-L66 HydrophobicContact CB-CD2 4.35Å; F23-L66 HydrophobicContact CD2-CD2 4.03Å; F23-L66 HydrophobicContact CG-CD2 4.42Å; L32-L66 HydrophobicContact CD1-CD1 3.99Å; L32-L66 HydrophobicContact CD1-CD2 4.09Å; L32-L66 HydrophobicContact CD1-CG 4.47Å; L32-L66 HydrophobicContact CD2-CD2 4.38Å; L66-C93 WeakPolarHBondContact CA-O 3.29Å; L66-C93 WeakPolarHBondContact CD2-O 3.33Å; L66-L94 HydrophobicContact CD2-CB 4.21Å; L66-L94 HydrophobicContact CD2-CD1 4.18Å |
| 67 | F | 92.6 | Very high | 73.2 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 2% | 0.022 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 160.6 | -179.7 | 76.3 | -79.8 | 0 | 0 | 0 | 112 | A69 S92 C93 A95 I105 W136 F143 W157 | F67-A69 HydrophobicContact CE2-CB 4.45Å; F67-S92 CarbonylContact O-C 3.53Å; F67-S92 WeakPolarHBondContact O-CA 3.2Å; F67-C93 HydrophobicContact CD1-CB 4.04Å; F67-C93 WeakPolarHBondContact CD1-O 3.43Å; F67-C93 HydrophobicContact CE1-CB 3.46Å; F67-C93 VanDerWaalsContact CE1-CB 3.46Å; F67-C93 HydrophobicContact CE2-CB 4.12Å; F67-C93 HydrophobicContact CZ-CB 3.51Å; F67-C93 PolarHBondContact N-O 3.45Å; F67-C93 PolarHBondContact O-N 3.46Å; F67-A95 HydrophobicContact CD1-CB 4.04Å; F67-A95 HydrophobicContact CE1-CB 4Å; F67-I105 HydrophobicContact CE1-CG2 3.9Å; F67-I105 HydrophobicContact CZ-CG2 3.59Å; F67-W136 HydrophobicContact CB-CD2 3.61Å; F67-W136 HydrophobicContact CB-CE3 4.06Å; F67-W136 HydrophobicContact CB-CG 3.93Å; F67-W136 HydrophobicContact CB-CH2 4.25Å; F67-W136 HydrophobicContact CB-CZ2 3.91Å; F67-W136 HydrophobicContact CB-CZ3 4.35Å; F67-W136 AromaticContact CD2-CH2 3.83Å; F67-W136 HydrophobicContact CD2-CH2 3.83Å; F67-W136 HydrophobicContact CD2-CZ2 4.13Å; F67-W136 HydrophobicContact CD2-CZ3 4.13Å; F67-W136 HydrophobicContact CG-CH2 4.45Å; F67-F143 HydrophobicContact CB-CE1 3.99Å; F67-F143 HydrophobicContact CB-CZ 4.15Å; F67-F143 AromaticContact CD1-CE1 3.77Å; F67-F143 HydrophobicContact CD1-CE1 3.77Å; F67-F143 AromaticContact CD1-CZ 3.55Å; F67-F143 HydrophobicContact CD1-CZ 3.55Å; F67-F143 HydrophobicContact CD2-CE1 4.34Å; F67-F143 AromaticContact CD2-CZ 3.65Å; F67-F143 HydrophobicContact CD2-CZ 3.65Å; F67-F143 HydrophobicContact CE1-CE1 4.33Å; F67-F143 AromaticContact CE1-CZ 3.74Å; F67-F143 HydrophobicContact CE1-CZ 3.74Å; F67-F143 HydrophobicContact CE2-CE2 4.5Å; F67-F143 AromaticContact CE2-CZ 3.84Å; F67-F143 HydrophobicContact CE2-CZ 3.84Å; F67-F143 AromaticContact CG-CE1 3.78Å; F67-F143 HydrophobicContact CG-CE1 3.78Å; F67-F143 AromaticContact CG-CZ 3.5Å; F67-F143 HydrophobicContact CG-CZ 3.5Å; F67-F143 VanDerWaalsContact CG-CZ 3.5Å; F67-F143 AromaticContact CZ-CZ 3.88Å; F67-F143 HydrophobicContact CZ-CZ 3.88Å; F67-W157 AromaticContact CE2-CE3 3.95Å; F67-W157 HydrophobicContact CE2-CE3 3.95Å; F67-W157 AromaticContact CE2-CZ3 3.92Å; F67-W157 HydrophobicContact CE2-CZ3 3.92Å; F67-W157 HydrophobicContact CZ-CE3 4.07Å; F67-W157 HydrophobicContact CZ-CZ3 4.04Å |
| 68 | V | 88.7 | Confident | 70.2 | Confident | 43 Ų | 43 | 57.6 Ų | 57.6 | 26% | 0.261 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 127.1 | 175.4 | 177.5 | 0 | 0 | 0 | 0 | 109.6 | N90 | V68-N90 HydrophobicContact CG1-CB 3.52Å |
| 69 | A | 81.6 | Confident | 67.2 | Low | 2 Ų | 2 | 64 Ų | 64 | 2% | 0.017 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 136.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F67 G71 S72 W157 | F67-A69 HydrophobicContact CE2-CB 4.45Å; A69-G71 PolarHBondContact O-N 2.86Å; A69-S72 PolarHBondContact O-OG 3.17Å; A69-S72 VanDerWaalsContact O-OG 3.08Å; A69-W157 HydrophobicContact CB-CH2 4.29Å; A69-W157 HydrophobicContact CB-CZ3 3.73Å |
| 70 | E | 72.6 | Confident | 64.1 | Low | 59 Ų | 59 | 72.2 Ų | 72.2 | 28% | 0.276 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 119.7 | 171.2 | -161.3 | -175.7 | 176 | 0 | 0 | 109.3 | Y141 R158 | E70-Y141 HydrophobicContact CB-CD1 3.76Å; E70-Y141 HydrophobicContact CB-CD2 4.31Å; E70-Y141 HydrophobicContact CB-CE1 4.14Å; E70-Y141 HydrophobicContact CB-CG 3.86Å; E70-Y141 HydrophobicContact CG-CD1 4.27Å; E70-Y141 HydrophobicContact CG-CD2 3.94Å; E70-Y141 HydrophobicContact CG-CE1 4.46Å; E70-Y141 HydrophobicContact CG-CE2 4.14Å; E70-Y141 HydrophobicContact CG-CG 4Å; E70-R158 IonicContact OE1-CZ 2.84Å; E70-R158 IonicContact OE1-NE 3.8Å; E70-R158 PolarHBondContact OE1-NE 3.17Å; E70-R158 IonicContact OE1-NH2 2.92Å; E70-R158 PolarHBondContact OE1-NH2 3.23Å; E70-R158 VanDerWaalsContact OE2-CG 3.27Å; E70-R158 WeakPolarHBondContact OE2-CG 3.15Å; E70-R158 IonicContact OE2-CZ 2.88Å; E70-R158 IonicContact OE2-NE 2.77Å; E70-R158 PolarHBondContact OE2-NE 2.97Å; E70-R158 IonicContact OE2-NH2 3.24Å; E70-R158 PolarHBondContact OE2-NH2 2.79Å |
| 71 | G | 63.8 | Low | 61 | Low | 67 Ų | 67 | 77.6 Ų | 77.6 | 69% | 0.691 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.7 | 11.9 | 179 | 0 | 0 | 0 | 0 | 0 | 116.7 | A69 E73 | A69-G71 PolarHBondContact O-N 2.86Å; G71-E73 PolarHBondContact O-N 2.9Å; G71-E73 VanDerWaalsContact O-N 3.14Å |
| 72 | S | 53.3 | Low | 57.9 | Low | 26 Ų | 26 | 83.8 Ų | 83.8 | 18% | 0.182 | 49% | 0.487 | C | S | . | . | trans | -71.4 | 99.9 | 165.6 | -46.1 | 0 | 0 | 0 | 0 | 107.8 | A69 N90 | A69-S72 PolarHBondContact O-OG 3.17Å; A69-S72 VanDerWaalsContact O-OG 3.08Å; S72-N90 VanDerWaalsContact CB-CG 3.49Å; S72-N90 WeakPolarHBondContact CB-OD1 3.11Å | ||
| 73 | E | 37.4 | Very low | 54.8 | Low | 171 Ų | 171 | 89.9 Ų | 89.9 | 80% | 0.799 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 131.6 | -179.7 | -75.9 | -161.7 | 163.6 | 0 | 0 | 110.1 | G71 L75 | G71-E73 PolarHBondContact O-N 2.9Å; G71-E73 VanDerWaalsContact O-N 3.14Å; E73-L75 PolarHBondContact O-N 2.82Å |
| 74 | P | 35.9 | Very low | 51.7 | Low | 94 Ų | 94 | 97.6 Ų | 97.6 | 61% | 0.61 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 131.1 | 163.9 | 28.1 | -28.9 | 0 | 0 | 0 | 106.9 | Q76 | P74-Q76 PolarHBondContact O-N 3.23Å; P74-Q76 VanDerWaalsContact O-N 3.15Å |
| 75 | L | 32.3 | Very low | 48.4 | Very low | 138 Ų | 138 | 106.2 Ų | 106.2 | 72% | 0.723 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 127.4 | 172.8 | -94.2 | 140.1 | 0 | 0 | 0 | 107.2 | E73 A77 E89 | E73-L75 PolarHBondContact O-N 2.82Å; L75-A77 VanDerWaalsContact C-N 3.35Å; L75-A77 PolarHBondContact O-N 3.03Å; L75-E89 PolarHBondContact N-OE2 2.78Å |
| 76 | Q | 26.9 | Very low | 45.3 | Very low | 193 Ų | 193 | 112.4 Ų | 112.4 | 90% | 0.902 | 62% | 0.623 | S | S | * | * | trans | -50.3 | 92.8 | -174.8 | -75.8 | 178.6 | -17.6 | 0 | 0 | 112.2 | P74 | P74-Q76 PolarHBondContact O-N 3.23Å; P74-Q76 VanDerWaalsContact O-N 3.15Å | ||
| 77 | A | 26.6 | Very low | 42.3 | Very low | 89 Ų | 89 | 118.2 Ų | 118.2 | 74% | 0.736 | 65% | 0.649 | S | S | * | * | trans | -106.9 | 124.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | L75 | L75-A77 VanDerWaalsContact C-N 3.35Å; L75-A77 PolarHBondContact O-N 3.03Å | ||
| 78 | S | 27.7 | Very low | 39.6 | Very low | 115 Ų | 115 | 122.7 Ų | 122.7 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | trans | -48.1 | 141.5 | -173.8 | 45 | 0 | 0 | 0 | 0 | 115.3 | Q80 | S78-Q80 PolarHBondContact O-N 2.98Š| ||
| 79 | I | 30.6 | Very low | 37.8 | Very low | 172 Ų | 172 | 125.3 Ų | 125.3 | 88% | 0.882 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -51.5 | 96 | 168.2 | -59.1 | 164.5 | 0 | 0 | 0 | 110.4 | ||
| 80 | Q | 27.2 | Very low | 37.3 | Very low | 175 Ų | 175 | 127.7 Ų | 127.7 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | 175 | 81.9 | 151.3 | -101.1 | 174.7 | 3.6 | 0 | 0 | 109.3 | S78 | S78-Q80 PolarHBondContact O-N 2.98Š| ||
| 81 | N | 26.1 | Very low | 38 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 83% | 0.834 | 70% | 0.702 | S | S | * | * | trans | 166.7 | 101.6 | 148.1 | -83.7 | -19.1 | 0 | 0 | 0 | 108.7 | ||||
| 82 | V | 28.6 | Very low | 39.3 | Very low | 142 Ų | 142 | 125.2 Ų | 125.2 | 86% | 0.861 | 67% | 0.673 | S | S | * | * | trans | -104.8 | 17.8 | -171.3 | 170.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 83 | L | 26.4 | Very low | 41.2 | Very low | 170 Ų | 170 | 124.1 Ų | 124.1 | 89% | 0.89 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -138.7 | 11.5 | -173 | -76.7 | 173 | 0 | 0 | 0 | 117.8 | ||
| 84 | Q | 25.2 | Very low | 43.9 | Very low | 174 Ų | 174 | 116 Ų | 116 | 81% | 0.813 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -159.1 | 134.2 | 169.9 | -106.4 | 163.6 | 0.6 | 0 | 0 | 107 | ||
| 85 | E | 26.1 | Very low | 46.8 | Very low | 191 Ų | 191 | 111.5 Ų | 111.5 | 89% | 0.893 | 60% | 0.598 | S | S | * | * | trans | 85.8 | 83.8 | -177.7 | -54.1 | 174.3 | 170.6 | 0 | 0 | 116.1 | ||||
| 86 | V | 28.8 | Very low | 49.8 | Very low | 157 Ų | 157 | 105 Ų | 105 | 95% | 0.952 | 56% | 0.564 | S | S | * | * | trans | -123.4 | 22.5 | 159.5 | -172.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 87 | Q | 31 | Very low | 52.9 | Low | 143 Ų | 143 | 95.8 Ų | 95.8 | 67% | 0.668 | 52% | 0.521 | S | S | * | . | trans | -100 | 129.2 | 172.1 | -70.3 | -170.4 | -32.6 | 0 | 0 | 107.9 | E280 | Q87-E280 PolarHBondContact NE2-OE2 2.7Å; Q87-E280 VanDerWaalsContact NE2-OE2 3.14Å | ||
| 88 | C | 34.3 | Very low | 56 | Low | 100 Ų | 100 | 91.5 Ų | 91.5 | 68% | 0.676 | 49% | 0.486 | S | S | * | . | S | Bend | trans | 84.9 | 81.1 | 166.6 | -49.2 | 0 | 0 | 0 | 0 | 118.3 | ||
| 89 | E | 51.1 | Low | 58.9 | Low | 97 Ų | 97 | 87.3 Ų | 87.3 | 45% | 0.453 | 45% | 0.454 | S | S | . | . | trans | -147.2 | -10 | 144.1 | -79.8 | -157.4 | 161.7 | 0 | 0 | 114.5 | L75 | L75-E89 PolarHBondContact N-OE2 2.78Š| ||
| 90 | N | 70.7 | Confident | 61.7 | Low | 53 Ų | 53 | 79.5 Ų | 79.5 | 28% | 0.283 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -103.5 | 116.7 | -173.2 | -71.8 | -22.7 | 0 | 0 | 0 | 113.4 | N22 V68 S72 | N22-N90 PolarHBondContact ND2-O 3.05Å; V68-N90 HydrophobicContact CG1-CB 3.52Å; S72-N90 VanDerWaalsContact CB-CG 3.49Å; S72-N90 WeakPolarHBondContact CB-OD1 3.11Å |
| 91 | K | 87.5 | Confident | 64.6 | Low | 62 Ų | 62 | 71.3 Ų | 71.3 | 27% | 0.27 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 133.4 | 170.6 | 178.5 | 174.3 | 177.4 | 160.1 | 0 | 111.7 | F23 T24 P26 Y108 | F23-K91 WeakPolarHBondContact O-CE 3.24Å; T24-K91 VanDerWaalsContact O-CE 3.27Å; T24-K91 WeakPolarHBondContact O-CE 3.39Å; T24-K91 PolarHBondContact O-NZ 3.41Å; P26-K91 HydrophobicContact CG-CB 4.11Å; K91-Y108 WeakPolarHBondContact CE-O 3.22Å; K91-Y108 PolarHBondContact NZ-O 3.28Å |
| 92 | S | 91.7 | Very high | 67.7 | Low | 11 Ų | 11 | 64 Ų | 64 | 8% | 0.077 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 146.4 | 176.8 | -70.5 | 0 | 0 | 0 | 0 | 112.6 | N22 F23 F67 | N22-S92 PolarHBondContact O-N 2.81Å; N22-S92 WeakPolarHBondContact OD1-CB 3.29Å; N22-S92 PolarHBondContact OD1-N 2.78Å; N22-S92 PolarHBondContact OD1-OG 2.84Å; F23-S92 WeakPolarHBondContact CD2-O 3.4Å; F67-S92 CarbonylContact O-C 3.53Å; F67-S92 WeakPolarHBondContact O-CA 3.2Å |
| 93 | C | 93.2 | Very high | 70.7 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 3% | 0.027 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 167.1 | 165.4 | -65.3 | 0 | 0 | 0 | 0 | 109.7 | L66 F67 | L66-C93 WeakPolarHBondContact CA-O 3.29Å; L66-C93 WeakPolarHBondContact CD2-O 3.33Å; F67-C93 HydrophobicContact CD1-CB 4.04Å; F67-C93 WeakPolarHBondContact CD1-O 3.43Å; F67-C93 HydrophobicContact CE1-CB 3.46Å; F67-C93 VanDerWaalsContact CE1-CB 3.46Å; F67-C93 HydrophobicContact CE2-CB 4.12Å; F67-C93 HydrophobicContact CZ-CB 3.51Å; F67-C93 PolarHBondContact N-O 3.45Å; F67-C93 PolarHBondContact O-N 3.46Å |
| 94 | L | 95.1 | Very high | 74 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 124.3 | -178.1 | 173.5 | 63.9 | 0 | 0 | 0 | 110.5 | L19 F23 L32 F34 F39 A64 L66 I96 I105 L106 | L19-L94 HydrophobicContact CD1-CD1 4.2Å; F23-L94 HydrophobicContact CD2-CB 4.3Å; F23-L94 HydrophobicContact CE2-CB 3.66Å; F23-L94 HydrophobicContact CZ-CB 4.18Å; L32-L94 HydrophobicContact CD2-CD1 4.38Å; L32-L94 HydrophobicContact CD2-CD2 3.74Å; F34-L94 HydrophobicContact CE1-CD2 4.34Å; F34-L94 HydrophobicContact CZ-CD1 3.86Å; F34-L94 HydrophobicContact CZ-CD2 4.13Å; F39-L94 HydrophobicContact CE1-CD2 4.44Å; F39-L94 HydrophobicContact CE2-CD2 4.02Å; F39-L94 HydrophobicContact CZ-CD2 3.97Å; A64-L94 HydrophobicContact CB-CD1 4.22Å; L66-L94 HydrophobicContact CD2-CB 4.21Å; L66-L94 HydrophobicContact CD2-CD1 4.18Å; L94-I96 HydrophobicContact CD1-CG1 4.37Å; L94-I96 HydrophobicContact CD2-CD1 3.97Å; L94-I96 HydrophobicContact CD2-CG1 4.24Å; L94-I96 HydrophobicContact CG-CD1 4.3Å; L94-I96 HydrophobicContact CG-CG1 4.04Å; L94-I105 CarbonylContact O-C 3.48Å; L94-I105 WeakPolarHBondContact O-CA 3.29Å; L94-L106 HydrophobicContact CB-CB 4.27Å; L94-L106 HydrophobicContact CD2-CD1 4.2Å; L94-L106 PolarHBondContact N-O 3.12Å; L94-L106 PolarHBondContact O-N 3.38Å |
| 95 | A | 95.7 | Very high | 77.2 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 134.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | A64 T65 F67 F103 L104 L134 F143 | A64-A95 CarbonylContact C-O 3.55Å; A64-A95 WeakPolarHBondContact CA-O 3.27Å; A64-A95 WeakPolarHBondContact CB-O 3.4Å; T65-A95 HydrophobicContact CG2-CB 4.2Å; T65-A95 PolarHBondContact N-O 2.8Å; T65-A95 PolarHBondContact O-N 3.29Å; F67-A95 HydrophobicContact CD1-CB 4.04Å; F67-A95 HydrophobicContact CE1-CB 4Å; A95-F103 HydrophobicContact CB-CE2 4.35Å; A95-F103 HydrophobicContact CB-CZ 3.88Å; A95-L104 CarbonylContact C-O 3.58Å; A95-L104 WeakPolarHBondContact CA-O 3.19Å; A95-L134 HydrophobicContact CB-CD2 4.45Å; A95-F143 HydrophobicContact CB-CD1 4.22Å; A95-F143 HydrophobicContact CB-CE1 3.57Å; A95-F143 HydrophobicContact CB-CZ 3.89Å |
| 96 | I | 95.2 | Very high | 80.5 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 131.9 | 178.9 | -66.7 | 176.6 | 0 | 0 | 0 | 109.6 | F34 F39 L57 I61 A64 L94 T98 F103 L104 L106 | F34-I96 HydrophobicContact CE1-CD1 4.31Å; F39-I96 HydrophobicContact CD1-CD1 4.43Å; F39-I96 HydrophobicContact CE1-CD1 4.15Å; L57-I96 HydrophobicContact CD1-CD1 3.89Å; I61-I96 HydrophobicContact CG1-CG2 4.31Å; I61-I96 HydrophobicContact CG2-CG2 4.09Å; A64-I96 HydrophobicContact CB-CG1 4.03Å; L94-I96 HydrophobicContact CD1-CG1 4.37Å; L94-I96 HydrophobicContact CD2-CD1 3.97Å; L94-I96 HydrophobicContact CD2-CG1 4.24Å; L94-I96 HydrophobicContact CG-CD1 4.3Å; L94-I96 HydrophobicContact CG-CG1 4.04Å; I96-T98 HydrophobicContact CG2-CG2 4.1Å; I96-F103 CarbonylContact O-C 3.52Å; I96-F103 WeakPolarHBondContact O-CA 3.39Å; I96-L104 HydrophobicContact CB-CB 4.3Å; I96-L104 PolarHBondContact N-O 3.37Å; I96-L104 PolarHBondContact O-N 3.16Å; I96-L106 HydrophobicContact CD1-CD1 3.72Å |
| 97 | A | 93.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 135.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | A62 A63 F103 M132 L134 L145 | A62-A97 PolarHBondContact N-O 3.09Å; A63-A97 HydrophobicContact CB-CB 4.48Å; A63-A97 PolarHBondContact N-O 3.09Å; A63-A97 VanDerWaalsContact N-O 3.12Å; A63-A97 PolarHBondContact O-N 3.46Å; A97-F103 HydrophobicContact CB-CD2 4.16Å; A97-M132 HydrophobicContact CB-SD 3.5Å; A97-M132 VanDerWaalsContact CB-SD 3.5Å; A97-L134 HydrophobicContact CB-CD2 4.5Å; A97-L145 HydrophobicContact CB-CD1 4.27Å |
| 98 | T | 91.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 157.2 | -176.5 | 63.7 | 0 | 0 | 0 | 0 | 111.5 | A59 R60 I96 K100 N101 E102 | A59-T98 HydrophobicContact CB-CG2 3.5Å; R60-T98 WeakPolarHBondContact O-CA 3.44Å; I96-T98 HydrophobicContact CG2-CG2 4.1Å; T98-K100 PolarHBondContact O-N 3.21Å; T98-N101 PolarHBondContact O-N 2.64Å; T98-N101 VanDerWaalsContact O-N 3.1Å; T98-E102 PolarHBondContact N-O 2.73Å; T98-E102 WeakPolarHBondContact OG1-CA 3.32Å; T98-E102 VanDerWaalsContact OG1-CB 3.32Å; T98-E102 WeakPolarHBondContact OG1-CB 3.46Å; T98-E102 PolarHBondContact OG1-N 2.85Å; T98-E102 PolarHBondContact OG1-O 3.38Å |
| 99 | L | 88.3 | Confident | 89 | Confident | 27 Ų | 27 | 15.8 Ų | 15.8 | 14% | 0.141 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -35 | 178.5 | -171.3 | 71.8 | 0 | 0 | 0 | 112.2 | R60 N101 T125 F128 F1011 | R60-L99 HydrophobicContact CB-CB 4.22Å; R60-L99 PolarHBondContact O-N 2.96Å; L99-N101 PolarHBondContact O-N 3.02Å; L99-T125 HydrophobicContact CD1-CG2 4.26Å; L99-T125 HydrophobicContact CD2-CG2 4.43Å; L99-T125 HydrophobicContact CG-CG2 3.87Å; L99-T125 WeakPolarHBondContact O-CG2 3.2Å; L99-F128 HydrophobicContact CD2-CD1 4.29Å; L99-F128 HydrophobicContact CD2-CE1 4.44Å; L99-F1011 HydrophobicContact CD2-CD2 3.96Å; L99-F1011 HydrophobicContact CD2-CE2 3.64Å |
| 100 | K | 88.1 | Confident | 90.6 | Very high | 8 Ų | 8 | 16.9 Ų | 16.9 | 4% | 0.035 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 29.9 | 178.5 | -73.7 | -170.9 | 166.8 | 177.7 | 0 | 113.7 | T98 E102 R1111 W1112 A1114 | T98-K100 PolarHBondContact O-N 3.21Å; K100-E102 VanDerWaalsContact C-N 3.31Å; K100-E102 PolarHBondContact O-N 2.9Å; K100-R1111 WeakPolarHBondContact CD-O 3.37Å; K100-R1111 PolarHBondContact NZ-O 3.45Å; K100-R1111 PolarHBondContact O-NH2 2.93Å; K100-W1112 PolarHBondContact NZ-O 3.02Å; K100-A1114 PolarHBondContact NZ-O 2.81Å |
| 101 | N | 88.5 | Confident | 91.3 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.011 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 59.2 | 36.2 | 170.4 | -70.2 | -17.2 | 0 | 0 | 0 | 114.9 | T98 L99 F121 G122 Y124 T126 | T98-N101 PolarHBondContact O-N 2.64Å; T98-N101 VanDerWaalsContact O-N 3.1Å; L99-N101 PolarHBondContact O-N 3.02Å; N101-F121 VanDerWaalsContact C-CE1 3.44Å; N101-F121 VanDerWaalsContact CA-CE2 3.48Å; N101-F121 VanDerWaalsContact CA-CZ 3.42Å; N101-F121 HydrophobicContact CB-CD2 3.59Å; N101-F121 HydrophobicContact CB-CE2 3.43Å; N101-F121 VanDerWaalsContact CB-CE2 3.43Å; N101-F121 HydrophobicContact CB-CG 4.34Å; N101-F121 HydrophobicContact CB-CZ 3.96Å; N101-F121 VanDerWaalsContact O-CD1 3.24Å; N101-F121 WeakPolarHBondContact O-CD1 3.28Å; N101-F121 WeakPolarHBondContact O-CG 3.31Å; N101-F121 PolarHBondContact O-N 2.79Å; N101-F121 WeakPolarHBondContact OD1-CE2 3.46Å; N101-G122 WeakPolarHBondContact CB-O 3.49Å; N101-Y124 PolarHBondContact ND2-O 3.36Å; N101-T126 PolarHBondContact ND2-OG1 2.81Å |
| 102 | E | 90.7 | Very high | 91.3 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.009 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 137.6 | 168.3 | -51.1 | -175.4 | 87.1 | 0 | 0 | 110 | T98 K100 K118 I120 L1107 | T98-E102 PolarHBondContact N-O 2.73Å; T98-E102 WeakPolarHBondContact OG1-CA 3.32Å; T98-E102 VanDerWaalsContact OG1-CB 3.32Å; T98-E102 WeakPolarHBondContact OG1-CB 3.46Å; T98-E102 PolarHBondContact OG1-N 2.85Å; T98-E102 PolarHBondContact OG1-O 3.38Å; K100-E102 VanDerWaalsContact C-N 3.31Å; K100-E102 PolarHBondContact O-N 2.9Å; E102-K118 WeakPolarHBondContact OE1-CE 3.47Å; E102-K118 IonicContact OE1-NZ 2.74Å; E102-K118 PolarHBondContact OE1-NZ 3.5Å; E102-I120 HydrophobicContact CG-CG1 4.16Å; E102-L1107 HydrophobicContact CB-CD2 4.14Å; E102-L1107 VanDerWaalsContact CD-CD2 3.42Å; E102-L1107 HydrophobicContact CG-CD2 4.38Å; E102-L1107 WeakPolarHBondContact OE1-CD2 3.25Å; E102-L1107 WeakPolarHBondContact OE2-CD2 3.4Å |
| 103 | F | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131.9 | 175.9 | -171.2 | -98.5 | 0 | 0 | 0 | 109.9 | A95 I96 A97 I105 K118 K119 F121 L134 F143 I155 I165 M167 | A95-F103 HydrophobicContact CB-CE2 4.35Å; A95-F103 HydrophobicContact CB-CZ 3.88Å; I96-F103 CarbonylContact O-C 3.52Å; I96-F103 WeakPolarHBondContact O-CA 3.39Å; A97-F103 HydrophobicContact CB-CD2 4.16Å; F103-I105 HydrophobicContact CE1-CD1 4.21Å; F103-I105 HydrophobicContact CE1-CG1 3.93Å; F103-K118 CarbonylContact O-C 3.52Å; F103-K118 WeakPolarHBondContact O-CA 3.21Å; F103-K119 PolarHBondContact N-O 2.81Å; F103-K119 PolarHBondContact O-N 3.26Å; F103-F121 HydrophobicContact CB-CD1 3.84Å; F103-F121 HydrophobicContact CB-CE1 3.95Å; F103-L134 HydrophobicContact CE2-CD1 3.9Å; F103-L134 HydrophobicContact CE2-CD2 4.16Å; F103-F143 HydrophobicContact CZ-CD2 4.16Å; F103-F143 HydrophobicContact CZ-CE2 4.44Å; F103-F143 HydrophobicContact CZ-CG 4.23Å; F103-I155 HydrophobicContact CD1-CG2 4.25Å; F103-I155 HydrophobicContact CD2-CD1 3.86Å; F103-I155 HydrophobicContact CE1-CD1 4.37Å; F103-I155 HydrophobicContact CE1-CG2 3.85Å; F103-I155 HydrophobicContact CE2-CD1 3.63Å; F103-I155 HydrophobicContact CG-CD1 4.32Å; F103-I155 HydrophobicContact CZ-CD1 3.9Å; F103-I155 HydrophobicContact CZ-CG2 4.21Å; F103-I165 HydrophobicContact CD1-CD1 3.72Å; F103-I165 HydrophobicContact CD1-CG2 4.08Å; F103-I165 HydrophobicContact CE1-CD1 4.18Å; F103-I165 HydrophobicContact CE1-CG2 4.36Å; F103-M167 HydrophobicContact CB-CE 4.25Å; F103-M167 HydrophobicContact CG-CE 4.4Å |
| 104 | L | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 146.6 | -174.4 | -59.8 | 173.6 | 0 | 0 | 0 | 110.7 | A95 I96 G117 K118 G1105 L1107 | A95-L104 CarbonylContact C-O 3.58Å; A95-L104 WeakPolarHBondContact CA-O 3.19Å; I96-L104 HydrophobicContact CB-CB 4.3Å; I96-L104 PolarHBondContact N-O 3.37Å; I96-L104 PolarHBondContact O-N 3.16Å; L104-G117 WeakPolarHBondContact CA-O 3.48Å; L104-K118 HydrophobicContact CD2-CB 4.02Å; L104-K118 HydrophobicContact CD2-CD 4.23Å; L104-K118 HydrophobicContact CD2-CG 3.78Å; L104-G1105 WeakPolarHBondContact CD2-O 3.15Å; L104-L1107 HydrophobicContact CD1-CD1 3.93Å; L104-L1107 HydrophobicContact CD1-CD2 4.04Å; L104-L1107 HydrophobicContact CD1-CG 4.1Å; L104-L1107 HydrophobicContact CD2-CD2 4.06Å; L104-L1107 HydrophobicContact CG-CD2 4.37Å |
| 105 | I | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.7 | 168.6 | -57.7 | 177.2 | 0 | 0 | 0 | 108 | F67 L94 F103 I116 G117 W157 I165 | F67-I105 HydrophobicContact CE1-CG2 3.9Å; F67-I105 HydrophobicContact CZ-CG2 3.59Å; L94-I105 CarbonylContact O-C 3.48Å; L94-I105 WeakPolarHBondContact O-CA 3.29Å; F103-I105 HydrophobicContact CE1-CD1 4.21Å; F103-I105 HydrophobicContact CE1-CG1 3.93Å; I105-I116 HydrophobicContact CB-CG1 4.04Å; I105-I116 HydrophobicContact CG2-CD1 3.71Å; I105-I116 HydrophobicContact CG2-CG1 3.51Å; I105-I116 WeakPolarHBondContact O-CG1 3.48Å; I105-I116 PolarHBondContact O-N 2.89Å; I105-G117 PolarHBondContact N-O 3.24Å; I105-G117 PolarHBondContact O-N 3.08Å; I105-W157 HydrophobicContact CD1-CB 3.48Å; I105-W157 VanDerWaalsContact CD1-CB 3.48Å; I105-W157 HydrophobicContact CD1-CD2 3.45Å; I105-W157 VanDerWaalsContact CD1-CD2 3.45Å; I105-W157 HydrophobicContact CD1-CE3 4.04Å; I105-W157 HydrophobicContact CD1-CG 3.16Å; I105-I165 HydrophobicContact CD1-CD1 3.79Å; I105-I165 HydrophobicContact CD1-CG1 4.11Å; I105-I165 HydrophobicContact CG1-CD1 3.97Å |
| 106 | L | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 145.8 | -175.1 | -53.9 | -179.5 | 0 | 0 | 0 | 110.7 | F39 L94 I96 V113 R114 T115 | F39-L106 HydrophobicContact CE1-CD1 3.99Å; F39-L106 HydrophobicContact CZ-CD1 3.91Å; L94-L106 HydrophobicContact CB-CB 4.27Å; L94-L106 HydrophobicContact CD2-CD1 4.2Å; L94-L106 PolarHBondContact N-O 3.12Å; L94-L106 PolarHBondContact O-N 3.38Å; I96-L106 HydrophobicContact CD1-CD1 3.72Å; L106-V113 HydrophobicContact CB-CG1 3.88Å; L106-V113 HydrophobicContact CD1-CG1 4.07Å; L106-V113 HydrophobicContact CG-CG1 4.38Å; L106-R114 CarbonylContact C-O 3.55Å; L106-R114 WeakPolarHBondContact CA-O 3.41Å; L106-T115 HydrophobicContact CD2-CG2 3.99Å; L106-T115 WeakPolarHBondContact CD2-OG1 3.47Å |
| 107 | E | 92.1 | Very high | 90.1 | Very high | 29 Ų | 29 | 31 Ų | 31 | 14% | 0.136 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 151.4 | 170.6 | 70.3 | -178.4 | -167.7 | 0 | 0 | 110.2 | A109 V113 R114 I116 R159 | E107-A109 HydrophobicContact CG-CB 4.43Å; E107-V113 CarbonylContact O-C 3.49Å; E107-V113 WeakPolarHBondContact O-CA 3.16Å; E107-R114 HydrophobicContact CG-CB 4.24Å; E107-R114 PolarHBondContact N-O 2.93Å; E107-R114 PolarHBondContact O-N 2.91Å; E107-I116 HydrophobicContact CB-CD1 4.14Å; E107-I116 HydrophobicContact CG-CD1 4.4Å; E107-I116 HydrophobicContact CG-CG2 3.71Å; E107-R159 IonicContact OE2-CZ 2.82Å; E107-R159 IonicContact OE2-NE 3.64Å; E107-R159 IonicContact OE2-NH2 3.53Å; E107-R159 PolarHBondContact OE2-NH2 3.04Å |
| 108 | Y | 92 | Very high | 89.9 | Confident | 17 Ų | 17 | 34.6 Ų | 34.6 | 7% | 0.067 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 123.5 | 166.3 | -164.7 | -103.7 | 0 | 0 | 0 | 109 | F23 T24 K91 D111 V113 | F23-Y108 HydrophobicContact CE1-CD2 4.25Å; F23-Y108 HydrophobicContact CE1-CG 4.43Å; F23-Y108 WeakPolarHBondContact O-CB 3.47Å; T24-Y108 HydrophobicContact CG2-CD1 4Å; T24-Y108 HydrophobicContact CG2-CD2 4.44Å; T24-Y108 HydrophobicContact CG2-CE1 4.04Å; T24-Y108 HydrophobicContact CG2-CG 4.2Å; K91-Y108 WeakPolarHBondContact CE-O 3.22Å; K91-Y108 PolarHBondContact NZ-O 3.28Å; Y108-D111 WeakPolarHBondContact OH-CA 3.26Å; Y108-V113 HydrophobicContact CD2-CG2 3.84Å; Y108-V113 HydrophobicContact CE2-CG2 4.47Å |
| 109 | A | 88.7 | Confident | 89.9 | Confident | 19 Ų | 19 | 37.5 Ų | 37.5 | 16% | 0.157 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 140.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | E107 D111 Q112 | E107-A109 HydrophobicContact CG-CB 4.43Å; A109-D111 VanDerWaalsContact C-N 3.32Å; A109-D111 PolarHBondContact O-N 3.25Å; A109-Q112 PolarHBondContact N-O 2.96Å; A109-Q112 PolarHBondContact O-N 3.14Å; A109-Q112 VanDerWaalsContact O-N 3.12Å |
| 110 | D | 86.1 | Confident | 89.9 | Confident | 120 Ų | 120 | 40.2 Ų | 40.2 | 64% | 0.642 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 49.4 | -177 | -51.3 | -37.3 | 0 | 0 | 0 | 112.5 | Q112 R114 | D110-Q112 PolarHBondContact O-N 2.81Å; D110-Q112 VanDerWaalsContact O-N 3.08Å; D110-R114 IonicContact OD2-CZ 2.61Å; D110-R114 IonicContact OD2-NH1 3.42Å; D110-R114 PolarHBondContact OD2-NH1 2.88Å; D110-R114 IonicContact OD2-NH2 3.66Å; D110-R114 PolarHBondContact OD2-NH2 2.66Å |
| 111 | D | 84.4 | Confident | 89.8 | Confident | 121 Ų | 121 | 41.1 Ų | 41.1 | 65% | 0.647 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 21.8 | -177.8 | -61.5 | -39.1 | 0 | 0 | 0 | 115.3 | Y108 A109 | Y108-D111 WeakPolarHBondContact OH-CA 3.26Å; A109-D111 VanDerWaalsContact C-N 3.32Å; A109-D111 PolarHBondContact O-N 3.25Å |
| 112 | Q | 87.1 | Confident | 89.4 | Confident | 88 Ų | 88 | 41.9 Ų | 41.9 | 41% | 0.411 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 144.3 | -178.8 | -68.3 | -68.3 | -35.1 | 0 | 0 | 111.5 | A109 D110 R114 | A109-Q112 PolarHBondContact N-O 2.96Å; A109-Q112 PolarHBondContact O-N 3.14Å; A109-Q112 VanDerWaalsContact O-N 3.12Å; D110-Q112 PolarHBondContact O-N 2.81Å; D110-Q112 VanDerWaalsContact O-N 3.08Å; Q112-R114 PolarHBondContact O-N 2.81Å |
| 113 | V | 89.8 | Confident | 88.4 | Confident | 18 Ų | 18 | 48 Ų | 48 | 11% | 0.109 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 124.9 | 166.7 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | F23 F39 V41 V55 L106 E107 Y108 | F23-V113 HydrophobicContact CE1-CG2 3.96Å; F23-V113 HydrophobicContact CZ-CG2 4.23Å; F39-V113 HydrophobicContact CE2-CG2 4.39Å; F39-V113 HydrophobicContact CZ-CG1 4.2Å; F39-V113 HydrophobicContact CZ-CG2 4.43Å; V41-V113 HydrophobicContact CG2-CG2 4.5Å; V55-V113 HydrophobicContact CG2-CB 3.88Å; V55-V113 HydrophobicContact CG2-CG2 3.72Å; L106-V113 HydrophobicContact CB-CG1 3.88Å; L106-V113 HydrophobicContact CD1-CG1 4.07Å; L106-V113 HydrophobicContact CG-CG1 4.38Å; E107-V113 CarbonylContact O-C 3.49Å; E107-V113 WeakPolarHBondContact O-CA 3.16Å; Y108-V113 HydrophobicContact CD2-CG2 3.84Å; Y108-V113 HydrophobicContact CE2-CG2 4.47Å |
| 114 | R | 88.9 | Confident | 87.2 | Confident | 108 Ų | 108 | 52.6 Ų | 52.6 | 41% | 0.408 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 150.8 | 178 | -64.4 | -174.4 | 176.1 | 160.5 | 0 | 111.2 | L106 E107 D110 Q112 | L106-R114 CarbonylContact C-O 3.55Å; L106-R114 WeakPolarHBondContact CA-O 3.41Å; E107-R114 HydrophobicContact CG-CB 4.24Å; E107-R114 PolarHBondContact N-O 2.93Å; E107-R114 PolarHBondContact O-N 2.91Å; D110-R114 IonicContact OD2-CZ 2.61Å; D110-R114 IonicContact OD2-NH1 3.42Å; D110-R114 PolarHBondContact OD2-NH1 2.88Å; D110-R114 IonicContact OD2-NH2 3.66Å; D110-R114 PolarHBondContact OD2-NH2 2.66Å; Q112-R114 PolarHBondContact O-N 2.81Å |
| 115 | T | 88.9 | Confident | 85.9 | Confident | 55 Ų | 55 | 53.3 Ų | 53.3 | 34% | 0.337 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 123.7 | 174.3 | -52.3 | 0 | 0 | 0 | 0 | 109.9 | L106 G117 G1105 | L106-T115 HydrophobicContact CD2-CG2 3.99Å; L106-T115 WeakPolarHBondContact CD2-OG1 3.47Å; T115-G117 WeakPolarHBondContact CG2-O 3.29Å; T115-G1105 WeakPolarHBondContact OG1-CA 3.34Å; T115-G1105 PolarHBondContact OG1-N 3.32Å |
| 116 | I | 89 | Confident | 84.2 | Confident | 31 Ų | 31 | 56.3 Ų | 56.3 | 16% | 0.159 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | -15.2 | -179.7 | 58.3 | 177.6 | 0 | 0 | 0 | 113 | I105 E107 W157 | I105-I116 HydrophobicContact CB-CG1 4.04Å; I105-I116 HydrophobicContact CG2-CD1 3.71Å; I105-I116 HydrophobicContact CG2-CG1 3.51Å; I105-I116 WeakPolarHBondContact O-CG1 3.48Å; I105-I116 PolarHBondContact O-N 2.89Å; E107-I116 HydrophobicContact CB-CD1 4.14Å; E107-I116 HydrophobicContact CG-CD1 4.4Å; E107-I116 HydrophobicContact CG-CG2 3.71Å; I116-W157 HydrophobicContact CB-CZ2 4.41Å; I116-W157 HydrophobicContact CD1-CH2 3.47Å; I116-W157 VanDerWaalsContact CD1-CH2 3.47Å; I116-W157 HydrophobicContact CD1-CZ2 3.56Å; I116-W157 HydrophobicContact CD1-CZ3 4.46Å; I116-W157 HydrophobicContact CG1-CH2 4.34Å; I116-W157 HydrophobicContact CG1-CZ2 3.94Å |
| 117 | G | 88.9 | Confident | 82.7 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 142.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L104 I105 T115 | L104-G117 WeakPolarHBondContact CA-O 3.48Å; I105-G117 PolarHBondContact N-O 3.24Å; I105-G117 PolarHBondContact O-N 3.08Å; T115-G117 WeakPolarHBondContact CG2-O 3.29Å |
| 118 | K | 90.5 | Very high | 81.2 | Confident | 76 Ų | 76 | 57.4 Ų | 57.4 | 33% | 0.33 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 136.7 | 172.7 | 177 | -179.3 | -168.2 | -176.2 | 0 | 109.9 | E102 F103 L104 G1105 G1106 | E102-K118 WeakPolarHBondContact OE1-CE 3.47Å; E102-K118 IonicContact OE1-NZ 2.74Å; E102-K118 PolarHBondContact OE1-NZ 3.5Å; F103-K118 CarbonylContact O-C 3.52Å; F103-K118 WeakPolarHBondContact O-CA 3.21Å; L104-K118 HydrophobicContact CD2-CB 4.02Å; L104-K118 HydrophobicContact CD2-CD 4.23Å; L104-K118 HydrophobicContact CD2-CG 3.78Å; K118-G1105 WeakPolarHBondContact CD-O 3.47Å; K118-G1106 PolarHBondContact NZ-O 2.67Å |
| 119 | K | 91.2 | Very high | 79.9 | Confident | 61 Ų | 61 | 64 Ų | 64 | 27% | 0.265 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 140.1 | 168.2 | -175.7 | 155 | 179.5 | 158.5 | 0 | 112.1 | F103 I165 M167 | F103-K119 PolarHBondContact N-O 2.81Å; F103-K119 PolarHBondContact O-N 3.26Å; K119-I165 HydrophobicContact CB-CB 3.93Å; K119-I165 HydrophobicContact CB-CD1 4.26Å; K119-I165 HydrophobicContact CB-CG2 4.24Å; K119-I165 HydrophobicContact CD-CB 3.98Å; K119-I165 HydrophobicContact CD-CG2 4.21Å; K119-I165 WeakPolarHBondContact CD-O 3.49Å; K119-I165 WeakPolarHBondContact CE-O 3.39Å; K119-I165 PolarHBondContact NZ-O 2.9Å; K119-M167 HydrophobicContact CD-CG 4.28Å; K119-M167 HydrophobicContact CD-SD 4.12Å; K119-M167 HydrophobicContact CG-SD 4.21Å |
| 120 | I | 87.9 | Confident | 78.9 | Confident | 85 Ų | 85 | 64.9 Ų | 64.9 | 44% | 0.436 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 128.3 | 169.4 | -53.7 | -178.5 | 0 | 0 | 0 | 107 | E102 G122 | E102-I120 HydrophobicContact CG-CG1 4.16Å; I120-G122 VanDerWaalsContact CG2-O 3.31Å; I120-G122 WeakPolarHBondContact CG2-O 3.3Å |
| 121 | F | 86.8 | Confident | 78.4 | Confident | 26 Ų | 26 | 63.4 Ų | 63.4 | 11% | 0.114 | 32% | 0.317 | C | S | . | . | trans | -116.3 | -2.2 | -174.8 | 61.8 | -109.5 | 0 | 0 | 0 | 113.8 | N101 F103 M132 L145 R153 M167 | N101-F121 VanDerWaalsContact C-CE1 3.44Å; N101-F121 VanDerWaalsContact CA-CE2 3.48Å; N101-F121 VanDerWaalsContact CA-CZ 3.42Å; N101-F121 HydrophobicContact CB-CD2 3.59Å; N101-F121 HydrophobicContact CB-CE2 3.43Å; N101-F121 VanDerWaalsContact CB-CE2 3.43Å; N101-F121 HydrophobicContact CB-CG 4.34Å; N101-F121 HydrophobicContact CB-CZ 3.96Å; N101-F121 VanDerWaalsContact O-CD1 3.24Å; N101-F121 WeakPolarHBondContact O-CD1 3.28Å; N101-F121 WeakPolarHBondContact O-CG 3.31Å; N101-F121 PolarHBondContact O-N 2.79Å; N101-F121 WeakPolarHBondContact OD1-CE2 3.46Å; F103-F121 HydrophobicContact CB-CD1 3.84Å; F103-F121 HydrophobicContact CB-CE1 3.95Å; F121-M132 HydrophobicContact CE2-CE 4.34Å; F121-M132 HydrophobicContact CZ-CE 3.98Å; F121-M132 HydrophobicContact CZ-SD 4.17Å; F121-L145 HydrophobicContact CE1-CD2 4.04Å; F121-L145 HydrophobicContact CE2-CD2 4.1Å; F121-L145 HydrophobicContact CZ-CD2 3.74Å; F121-R153 VanDerWaalsContact CE2-NH1 3.28Å; F121-M167 HydrophobicContact CB-CE 3.8Å; F121-M167 HydrophobicContact CB-SD 3.43Å; F121-M167 WeakPolarHBondContact CB-SD 3.36Å; F121-M167 HydrophobicContact CD1-CE 3.72Å; F121-M167 HydrophobicContact CD1-SD 4.33Å; F121-M167 HydrophobicContact CE1-CE 4.49Å; F121-M167 HydrophobicContact CG-CE 3.97Å; F121-M167 HydrophobicContact CG-SD 4.25Å | ||
| 122 | G | 79.1 | Confident | 78.6 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | trans | -160.3 | 142.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | N101 I120 Y124 R1111 | N101-G122 WeakPolarHBondContact CB-O 3.49Å; I120-G122 VanDerWaalsContact CG2-O 3.31Å; I120-G122 WeakPolarHBondContact CG2-O 3.3Å; G122-Y124 VanDerWaalsContact C-N 3.28Å; G122-Y124 PolarHBondContact O-N 3.08Å; G122-R1111 PolarHBondContact O-NH2 2.96Å; G122-R1111 VanDerWaalsContact O-NH2 3.1Å | ||
| 123 | E | 69.6 | Low | 78.7 | Confident | 130 Ų | 130 | 55.5 Ų | 55.5 | 61% | 0.607 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -73.5 | -24.3 | 179.4 | -70.2 | -170.7 | 159 | 0 | 0 | 112.6 | R1111 | E123-R1111 VanDerWaalsContact C-NH2 3.3Å; E123-R1111 VanDerWaalsContact O-CZ 3.25Å; E123-R1111 PolarHBondContact O-NH1 3.27Å; E123-R1111 PolarHBondContact O-NH2 3.02Å |
| 124 | Y | 69.2 | Low | 78.8 | Confident | 97 Ų | 97 | 55.5 Ų | 55.5 | 38% | 0.38 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -138 | 157.2 | -167.4 | -56.3 | -58.5 | 0 | 0 | 0 | 111.3 | N101 G122 T126 E1116 R1121 | N101-Y124 PolarHBondContact ND2-O 3.36Å; G122-Y124 VanDerWaalsContact C-N 3.28Å; G122-Y124 PolarHBondContact O-N 3.08Å; Y124-T126 PolarHBondContact O-N 2.98Å; Y124-E1116 WeakPolarHBondContact CA-OE1 3.23Å; Y124-E1116 VanDerWaalsContact CB-OE1 3.24Å; Y124-E1116 WeakPolarHBondContact CB-OE1 3.22Å; Y124-R1121 VanDerWaalsContact CD2-NH1 3.34Å; Y124-R1121 VanDerWaalsContact CE1-NH1 3.27Å; Y124-R1121 VanDerWaalsContact CG-NH2 3.32Å |
| 125 | T | 66.1 | Low | 79 | Confident | 14 Ų | 14 | 51.3 Ų | 51.3 | 9% | 0.086 | 26% | 0.261 | C | S | . | . | trans | -71.6 | 119.5 | 174.1 | -46.3 | 0 | 0 | 0 | 0 | 108.6 | L99 F128 E1116 | L99-T125 HydrophobicContact CD1-CG2 4.26Å; L99-T125 HydrophobicContact CD2-CG2 4.43Å; L99-T125 HydrophobicContact CG-CG2 3.87Å; L99-T125 WeakPolarHBondContact O-CG2 3.2Å; T125-F128 HydrophobicContact CG2-CD1 4.01Å; T125-F128 HydrophobicContact CG2-CD2 4.26Å; T125-F128 HydrophobicContact CG2-CE1 3.66Å; T125-F128 HydrophobicContact CG2-CE2 3.93Å; T125-F128 HydrophobicContact CG2-CG 4.31Å; T125-F128 HydrophobicContact CG2-CZ 3.63Å; T125-E1116 WeakPolarHBondContact CB-OE2 3.37Å; T125-E1116 PolarHBondContact N-OE1 2.74Å; T125-E1116 PolarHBondContact N-OE2 3.22Å; T125-E1116 PolarHBondContact OG1-OE2 2.87Å | ||
| 126 | T | 58.6 | Low | 79.2 | Confident | 63 Ų | 63 | 50.7 Ų | 50.7 | 39% | 0.387 | 25% | 0.253 | S | S | . | . | trans | -99.9 | -21.2 | -170.7 | 45 | 0 | 0 | 0 | 0 | 113 | N101 Y124 F147 E149 | N101-T126 PolarHBondContact ND2-OG1 2.81Å; Y124-T126 PolarHBondContact O-N 2.98Å; T126-F147 WeakPolarHBondContact OG1-CE2 3.21Å; T126-E149 WeakPolarHBondContact CB-OE1 3.18Å; T126-E149 WeakPolarHBondContact CG2-OE1 3.3Å | ||
| 127 | S | 61.3 | Low | 79.4 | Confident | 20 Ų | 20 | 49.4 Ų | 49.4 | 14% | 0.14 | 25% | 0.246 | C | C | . | . | trans | -150.7 | 124.2 | 168.2 | 69.9 | 0 | 0 | 0 | 0 | 112.5 | S130 | S127-S130 PolarHBondContact OG-O 3.11Š| ||
| 128 | F | 61.8 | Low | 79.3 | Confident | 32 Ų | 32 | 53.4 Ų | 53.4 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -88.8 | -18.2 | 171.7 | -65 | -90.7 | 0 | 0 | 0 | 112.8 | L99 T125 F1010 F1011 E1116 | L99-F128 HydrophobicContact CD2-CD1 4.29Å; L99-F128 HydrophobicContact CD2-CE1 4.44Å; T125-F128 HydrophobicContact CG2-CD1 4.01Å; T125-F128 HydrophobicContact CG2-CD2 4.26Å; T125-F128 HydrophobicContact CG2-CE1 3.66Å; T125-F128 HydrophobicContact CG2-CE2 3.93Å; T125-F128 HydrophobicContact CG2-CG 4.31Å; T125-F128 HydrophobicContact CG2-CZ 3.63Å; F128-F1010 HydrophobicContact CB-CD1 4.07Å; F128-F1010 HydrophobicContact CB-CE1 4.22Å; F128-F1010 HydrophobicContact CD1-CB 4.36Å; F128-F1010 AromaticContact CD1-CD1 3.69Å; F128-F1010 HydrophobicContact CD1-CD1 3.69Å; F128-F1010 AromaticContact CD2-CD1 3.25Å; F128-F1010 HydrophobicContact CD2-CD1 3.25Å; F128-F1010 AromaticContact CD2-CE1 3.41Å; F128-F1010 HydrophobicContact CD2-CE1 3.41Å; F128-F1010 VanDerWaalsContact CD2-CE1 3.41Å; F128-F1010 HydrophobicContact CE1-CB 4.01Å; F128-F1010 AromaticContact CE1-CD1 3.8Å; F128-F1010 HydrophobicContact CE1-CD1 3.8Å; F128-F1010 HydrophobicContact CE1-CG 4.4Å; F128-F1010 AromaticContact CE2-CD1 3.37Å; F128-F1010 HydrophobicContact CE2-CD1 3.37Å; F128-F1010 AromaticContact CE2-CE1 3.77Å; F128-F1010 HydrophobicContact CE2-CE1 3.77Å; F128-F1010 HydrophobicContact CE2-CG 4.37Å; F128-F1010 AromaticContact CG-CD1 3.4Å; F128-F1010 HydrophobicContact CG-CD1 3.4Å; F128-F1010 VanDerWaalsContact CG-CD1 3.4Å; F128-F1010 AromaticContact CG-CE1 3.84Å; F128-F1010 HydrophobicContact CG-CE1 3.84Å; F128-F1010 HydrophobicContact CZ-CB 4.21Å; F128-F1010 AromaticContact CZ-CD1 3.64Å; F128-F1010 HydrophobicContact CZ-CD1 3.64Å; F128-F1010 HydrophobicContact CZ-CE1 4.48Å; F128-F1010 HydrophobicContact CZ-CG 4.31Å; F128-F1011 HydrophobicContact CD1-CD2 4.43Å; F128-F1011 HydrophobicContact CD1-CE2 4.19Å; F128-E1116 HydrophobicContact CZ-CG 4.33Å |
| 129 | Y | 63.7 | Low | 79.2 | Confident | 157 Ų | 157 | 52.7 Ų | 52.7 | 62% | 0.616 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -108.4 | -12.3 | -171.3 | -53.5 | -68.5 | 0 | 0 | 0 | 113.9 | T1009 F1010 | Y129-T1009 PolarHBondContact OH-OG1 3.21Å; Y129-F1010 HydrophobicContact CE2-CE1 4.34Å |
| 130 | S | 67.9 | Low | 79.1 | Confident | 36 Ų | 36 | 52.3 Ų | 52.3 | 25% | 0.252 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -107.7 | 128.6 | -177.7 | -156.8 | 0 | 0 | 0 | 0 | 109.6 | S127 | S127-S130 PolarHBondContact OG-O 3.11Š|
| 131 | P | 76.6 | Confident | 79.2 | Confident | 89 Ų | 89 | 52.2 Ų | 52.2 | 58% | 0.578 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 142.4 | 179.4 | 27.6 | -33.2 | 0 | 0 | 0 | 110.3 | ||
| 132 | M | 87.3 | Confident | 79.5 | Confident | 23 Ų | 23 | 51.1 Ų | 51.1 | 11% | 0.113 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -87.7 | 124.1 | 173.2 | -168.6 | 176.7 | -76.1 | 0 | 0 | 107.8 | A62 A63 A97 F121 L145 F147 | A62-M132 HydrophobicContact CB-CB 4.08Å; A62-M132 HydrophobicContact CB-SD 4.13Å; A63-M132 WeakPolarHBondContact CB-O 3.27Å; A97-M132 HydrophobicContact CB-SD 3.5Å; A97-M132 VanDerWaalsContact CB-SD 3.5Å; F121-M132 HydrophobicContact CE2-CE 4.34Å; F121-M132 HydrophobicContact CZ-CE 3.98Å; F121-M132 HydrophobicContact CZ-SD 4.17Å; M132-L145 HydrophobicContact CG-CD1 3.48Å; M132-L145 VanDerWaalsContact CG-CD1 3.48Å; M132-L145 HydrophobicContact SD-CD1 3.8Å; M132-F147 HydrophobicContact CG-CB 4.39Å |
| 133 | I | 89.1 | Confident | 80.3 | Confident | 20 Ų | 20 | 50.3 Ų | 50.3 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 119.1 | -178.3 | -55.2 | 159 | 0 | 0 | 0 | 108.1 | I135 L145 A146 I177 M180 | I133-I135 HydrophobicContact CG2-CG2 4.14Å; I133-L145 WeakPolarHBondContact O-CA 3.4Å; I133-A146 PolarHBondContact N-O 2.71Å; I133-A146 PolarHBondContact O-N 3.15Å; I133-I177 HydrophobicContact CD1-CG2 3.99Å; I133-M180 HydrophobicContact CB-CE 3.87Å; I133-M180 HydrophobicContact CB-CG 4.32Å; I133-M180 HydrophobicContact CG2-CE 3.72Å; I133-M180 HydrophobicContact CG2-CG 3.6Å; I133-M180 VanDerWaalsContact O-CE 3.24Å; I133-M180 WeakPolarHBondContact O-CE 3.33Å |
| 134 | L | 92.6 | Very high | 81.5 | Confident | 19 Ų | 19 | 44.1 Ų | 44.1 | 10% | 0.099 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 115.7 | 177.1 | 178.5 | 64.1 | 0 | 0 | 0 | 109.6 | A63 T65 A95 A97 F103 F143 G144 L145 | A63-L134 HydrophobicContact CB-CB 3.63Å; T65-L134 HydrophobicContact CG2-CD2 3.94Å; T65-L134 HydrophobicContact CG2-CG 4.03Å; A95-L134 HydrophobicContact CB-CD2 4.45Å; A97-L134 HydrophobicContact CB-CD2 4.5Å; F103-L134 HydrophobicContact CE2-CD1 3.9Å; F103-L134 HydrophobicContact CE2-CD2 4.16Å; L134-F143 HydrophobicContact CD1-CB 4.01Å; L134-F143 HydrophobicContact CD1-CD1 4.39Å; L134-G144 WeakPolarHBondContact CA-O 3.1Å; L134-L145 HydrophobicContact CB-CD1 4.4Å; L134-L145 HydrophobicContact CD1-CD1 4.34Å |
| 135 | I | 93 | Very high | 82.6 | Confident | 19 Ų | 19 | 39.5 Ų | 39.5 | 10% | 0.097 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 151.2 | 179 | 56 | 173.6 | 0 | 0 | 0 | 111.1 | I133 F143 G144 M180 F182 I191 | I133-I135 HydrophobicContact CG2-CG2 4.14Å; I135-F143 CarbonylContact O-C 3.59Å; I135-F143 VanDerWaalsContact O-CA 3.23Å; I135-F143 WeakPolarHBondContact O-CA 3.19Å; I135-G144 WeakPolarHBondContact CG1-O 3.43Å; I135-G144 PolarHBondContact N-O 2.95Å; I135-G144 PolarHBondContact O-N 3.18Å; I135-M180 HydrophobicContact CD1-CB 4.49Å; I135-M180 HydrophobicContact CD1-CE 4.01Å; I135-M180 HydrophobicContact CD1-CG 3.97Å; I135-M180 HydrophobicContact CD1-SD 3.84Å; I135-M180 HydrophobicContact CG1-CE 3.89Å; I135-M180 HydrophobicContact CG1-SD 4.39Å; I135-M180 HydrophobicContact CG2-CG 4.36Å; I135-M180 VanDerWaalsContact CG2-O 3.26Å; I135-M180 WeakPolarHBondContact CG2-O 3.36Å; I135-F182 HydrophobicContact CB-CD2 4.03Å; I135-F182 HydrophobicContact CB-CE2 4.26Å; I135-F182 HydrophobicContact CD1-CD2 3.52Å; I135-F182 HydrophobicContact CD1-CE2 3.61Å; I135-F182 HydrophobicContact CD1-CG 4.05Å; I135-F182 HydrophobicContact CD1-CZ 4.16Å; I135-F182 HydrophobicContact CG1-CD2 3.66Å; I135-F182 HydrophobicContact CG1-CE2 3.52Å; I135-F182 HydrophobicContact CG1-CZ 4.37Å; I135-I191 HydrophobicContact CD1-CG2 4.19Å |
| 136 | W | 92.8 | Very high | 83.6 | Confident | 43 Ų | 43 | 38.8 Ų | 38.8 | 16% | 0.163 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 133.7 | 179.5 | 166.8 | -115.4 | 0 | 0 | 0 | 110.4 | T65 F67 Y141 F143 | T65-W136 HydrophobicContact CG2-CB 4.12Å; F67-W136 HydrophobicContact CB-CD2 3.61Å; F67-W136 HydrophobicContact CB-CE3 4.06Å; F67-W136 HydrophobicContact CB-CG 3.93Å; F67-W136 HydrophobicContact CB-CH2 4.25Å; F67-W136 HydrophobicContact CB-CZ2 3.91Å; F67-W136 HydrophobicContact CB-CZ3 4.35Å; F67-W136 AromaticContact CD2-CH2 3.83Å; F67-W136 HydrophobicContact CD2-CH2 3.83Å; F67-W136 HydrophobicContact CD2-CZ2 4.13Å; F67-W136 HydrophobicContact CD2-CZ3 4.13Å; F67-W136 HydrophobicContact CG-CH2 4.45Å; W136-Y141 VanDerWaalsContact CH2-C 3.49Å; W136-Y141 AromaticContact CH2-CD1 3.92Å; W136-Y141 HydrophobicContact CH2-CD1 3.92Å; W136-Y141 HydrophobicContact CH2-CG 4.33Å; W136-Y141 AromaticContact CZ2-CD1 3.96Å; W136-Y141 HydrophobicContact CZ2-CD1 3.96Å; W136-F143 HydrophobicContact CB-CD1 4.26Å; W136-F143 HydrophobicContact CB-CE1 4.48Å; W136-F143 HydrophobicContact CD2-CD1 4.37Å; W136-F143 HydrophobicContact CD2-CE1 4.11Å; W136-F143 AromaticContact CE3-CD1 3.53Å; W136-F143 HydrophobicContact CE3-CD1 3.53Å; W136-F143 HydrophobicContact CE3-CD2 4.14Å; W136-F143 AromaticContact CE3-CE1 3.39Å; W136-F143 HydrophobicContact CE3-CE1 3.39Å; W136-F143 HydrophobicContact CE3-CE2 4.03Å; W136-F143 AromaticContact CE3-CG 3.9Å; W136-F143 HydrophobicContact CE3-CG 3.9Å; W136-F143 AromaticContact CE3-CZ 3.65Å; W136-F143 HydrophobicContact CE3-CZ 3.65Å; W136-F143 HydrophobicContact CZ3-CD1 4.23Å; W136-F143 HydrophobicContact CZ3-CD2 4.08Å; W136-F143 AromaticContact CZ3-CE1 3.89Å; W136-F143 HydrophobicContact CZ3-CE1 3.89Å; W136-F143 AromaticContact CZ3-CE2 3.72Å; W136-F143 HydrophobicContact CZ3-CE2 3.72Å; W136-F143 HydrophobicContact CZ3-CG 4.31Å; W136-F143 AromaticContact CZ3-CZ 3.62Å; W136-F143 HydrophobicContact CZ3-CZ 3.62Å |
| 137 | D | 92.6 | Very high | 84.5 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 105.8 | 171.9 | -171.9 | -17.7 | 0 | 0 | 0 | 110 | A139 H140 Y141 V142 F182 | D137-A139 VanDerWaalsContact C-N 3.29Å; D137-A139 PolarHBondContact O-N 2.86Å; D137-A139 WeakPolarHBondContact OD1-CB 3.4Å; D137-A139 PolarHBondContact OD1-N 2.78Å; D137-H140 PolarHBondContact OD1-N 3.38Å; D137-H140 IonicContact OD1-ND1 3.65Å; D137-H140 PolarHBondContact OD1-ND1 2.88Å; D137-H140 IonicContact OD2-CE1 2.78Å; D137-H140 IonicContact OD2-CG 3.34Å; D137-H140 IonicContact OD2-ND1 3.8Å; D137-H140 PolarHBondContact OD2-ND1 3.45Å; D137-Y141 WeakPolarHBondContact O-CA 3.24Å; D137-Y141 PolarHBondContact O-N 2.86Å; D137-V142 HydrophobicContact CB-CG2 3.74Å; D137-V142 PolarHBondContact N-O 3.44Å; D137-V142 PolarHBondContact O-N 3.39Å; D137-F182 HydrophobicContact CB-CB 4.21Å; D137-F182 HydrophobicContact CB-CD1 4.04Å; D137-F182 HydrophobicContact CB-CD2 3.58Å; D137-F182 HydrophobicContact CB-CE1 4.26Å; D137-F182 HydrophobicContact CB-CE2 3.79Å; D137-F182 HydrophobicContact CB-CG 3.7Å; D137-F182 HydrophobicContact CB-CZ 4.15Å |
| 138 | P | 87.6 | Confident | 84.6 | Confident | 90 Ų | 90 | 39.5 Ų | 39.5 | 58% | 0.584 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -22.4 | 179.6 | 28.3 | -33.8 | 0 | 0 | 0 | 113.5 | ||
| 139 | A | 87.9 | Confident | 84.7 | Confident | 61 Ų | 61 | 40.4 Ų | 40.4 | 50% | 0.504 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -35.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D137 | D137-A139 VanDerWaalsContact C-N 3.29Å; D137-A139 PolarHBondContact O-N 2.86Å; D137-A139 WeakPolarHBondContact OD1-CB 3.4Å; D137-A139 PolarHBondContact OD1-N 2.78Å |
| 140 | H | 90.1 | Very high | 85.2 | Confident | 52 Ų | 52 | 35.2 Ų | 35.2 | 24% | 0.241 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | -1.9 | -175.4 | -55.6 | 98.2 | 0 | 0 | 0 | 114.1 | D137 V142 Y186 E187 P189 | D137-H140 PolarHBondContact OD1-N 3.38Å; D137-H140 IonicContact OD1-ND1 3.65Å; D137-H140 PolarHBondContact OD1-ND1 2.88Å; D137-H140 IonicContact OD2-CE1 2.78Å; D137-H140 IonicContact OD2-CG 3.34Å; D137-H140 IonicContact OD2-ND1 3.8Å; D137-H140 PolarHBondContact OD2-ND1 3.45Å; H140-V142 HydrophobicContact CB-CG2 4.09Å; H140-V142 WeakPolarHBondContact O-CG1 3.47Å; H140-V142 PolarHBondContact O-N 3.19Å; H140-Y186 PolarHBondContact CE1-O 2.74Å; H140-Y186 PolarHBondContact NE2-O 2.81Å; H140-E187 VanDerWaalsContact NE2-C 3.31Å; H140-E187 PolarHBondContact NE2-O 2.87Å; H140-E187 VanDerWaalsContact NE2-O 3.09Å; H140-P189 HydrophobicContact CB-CG 3.83Å |
| 141 | Y | 90 | Very high | 86 | Confident | 83 Ų | 83 | 36.8 Ų | 36.8 | 33% | 0.325 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 43.9 | -178 | -60 | -87.2 | 0 | 0 | 0 | 114.3 | E70 W136 D137 | E70-Y141 HydrophobicContact CB-CD1 3.76Å; E70-Y141 HydrophobicContact CB-CD2 4.31Å; E70-Y141 HydrophobicContact CB-CE1 4.14Å; E70-Y141 HydrophobicContact CB-CG 3.86Å; E70-Y141 HydrophobicContact CG-CD1 4.27Å; E70-Y141 HydrophobicContact CG-CD2 3.94Å; E70-Y141 HydrophobicContact CG-CE1 4.46Å; E70-Y141 HydrophobicContact CG-CE2 4.14Å; E70-Y141 HydrophobicContact CG-CG 4Å; W136-Y141 VanDerWaalsContact CH2-C 3.49Å; W136-Y141 AromaticContact CH2-CD1 3.92Å; W136-Y141 HydrophobicContact CH2-CD1 3.92Å; W136-Y141 HydrophobicContact CH2-CG 4.33Å; W136-Y141 AromaticContact CZ2-CD1 3.96Å; W136-Y141 HydrophobicContact CZ2-CD1 3.96Å; D137-Y141 WeakPolarHBondContact O-CA 3.24Å; D137-Y141 PolarHBondContact O-N 2.86Å |
| 142 | V | 93.4 | Very high | 86.6 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.024 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 150.7 | -178.3 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | D137 H140 L154 K156 F182 P189 | D137-V142 HydrophobicContact CB-CG2 3.74Å; D137-V142 PolarHBondContact N-O 3.44Å; D137-V142 PolarHBondContact O-N 3.39Å; H140-V142 HydrophobicContact CB-CG2 4.09Å; H140-V142 WeakPolarHBondContact O-CG1 3.47Å; H140-V142 PolarHBondContact O-N 3.19Å; V142-L154 HydrophobicContact CB-CD1 3.94Å; V142-L154 HydrophobicContact CB-CG 4.31Å; V142-L154 HydrophobicContact CG2-CD1 3.81Å; V142-K156 HydrophobicContact CG1-CD 4.26Å; V142-K156 HydrophobicContact CG1-CG 3.85Å; V142-F182 HydrophobicContact CG2-CZ 4.13Å; V142-P189 HydrophobicContact CG2-CB 4.17Å; V142-P189 HydrophobicContact CG2-CG 4.07Å |
| 143 | F | 95.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 145.3 | 168.8 | -46.7 | -97.3 | 0 | 0 | 0 | 110.8 | T65 F67 A95 F103 L134 I135 W136 L154 I155 | T65-F143 HydrophobicContact CG2-CD1 3.98Å; T65-F143 HydrophobicContact CG2-CE1 3.95Å; F67-F143 HydrophobicContact CB-CE1 3.99Å; F67-F143 HydrophobicContact CB-CZ 4.15Å; F67-F143 AromaticContact CD1-CE1 3.77Å; F67-F143 HydrophobicContact CD1-CE1 3.77Å; F67-F143 AromaticContact CD1-CZ 3.55Å; F67-F143 HydrophobicContact CD1-CZ 3.55Å; F67-F143 HydrophobicContact CD2-CE1 4.34Å; F67-F143 AromaticContact CD2-CZ 3.65Å; F67-F143 HydrophobicContact CD2-CZ 3.65Å; F67-F143 HydrophobicContact CE1-CE1 4.33Å; F67-F143 AromaticContact CE1-CZ 3.74Å; F67-F143 HydrophobicContact CE1-CZ 3.74Å; F67-F143 HydrophobicContact CE2-CE2 4.5Å; F67-F143 AromaticContact CE2-CZ 3.84Å; F67-F143 HydrophobicContact CE2-CZ 3.84Å; F67-F143 AromaticContact CG-CE1 3.78Å; F67-F143 HydrophobicContact CG-CE1 3.78Å; F67-F143 AromaticContact CG-CZ 3.5Å; F67-F143 HydrophobicContact CG-CZ 3.5Å; F67-F143 VanDerWaalsContact CG-CZ 3.5Å; F67-F143 AromaticContact CZ-CZ 3.88Å; F67-F143 HydrophobicContact CZ-CZ 3.88Å; A95-F143 HydrophobicContact CB-CD1 4.22Å; A95-F143 HydrophobicContact CB-CE1 3.57Å; A95-F143 HydrophobicContact CB-CZ 3.89Å; F103-F143 HydrophobicContact CZ-CD2 4.16Å; F103-F143 HydrophobicContact CZ-CE2 4.44Å; F103-F143 HydrophobicContact CZ-CG 4.23Å; L134-F143 HydrophobicContact CD1-CB 4.01Å; L134-F143 HydrophobicContact CD1-CD1 4.39Å; I135-F143 CarbonylContact O-C 3.59Å; I135-F143 VanDerWaalsContact O-CA 3.23Å; I135-F143 WeakPolarHBondContact O-CA 3.19Å; W136-F143 HydrophobicContact CB-CD1 4.26Å; W136-F143 HydrophobicContact CB-CE1 4.48Å; W136-F143 HydrophobicContact CD2-CD1 4.37Å; W136-F143 HydrophobicContact CD2-CE1 4.11Å; W136-F143 AromaticContact CE3-CD1 3.53Å; W136-F143 HydrophobicContact CE3-CD1 3.53Å; W136-F143 HydrophobicContact CE3-CD2 4.14Å; W136-F143 AromaticContact CE3-CE1 3.39Å; W136-F143 HydrophobicContact CE3-CE1 3.39Å; W136-F143 HydrophobicContact CE3-CE2 4.03Å; W136-F143 AromaticContact CE3-CG 3.9Å; W136-F143 HydrophobicContact CE3-CG 3.9Å; W136-F143 AromaticContact CE3-CZ 3.65Å; W136-F143 HydrophobicContact CE3-CZ 3.65Å; W136-F143 HydrophobicContact CZ3-CD1 4.23Å; W136-F143 HydrophobicContact CZ3-CD2 4.08Å; W136-F143 AromaticContact CZ3-CE1 3.89Å; W136-F143 HydrophobicContact CZ3-CE1 3.89Å; W136-F143 AromaticContact CZ3-CE2 3.72Å; W136-F143 HydrophobicContact CZ3-CE2 3.72Å; W136-F143 HydrophobicContact CZ3-CG 4.31Å; W136-F143 AromaticContact CZ3-CZ 3.62Å; W136-F143 HydrophobicContact CZ3-CZ 3.62Å; F143-L154 CarbonylContact O-C 3.57Å; F143-L154 WeakPolarHBondContact O-CA 3.17Å; F143-I155 HydrophobicContact CB-CB 4.03Å; F143-I155 HydrophobicContact CB-CD1 4.31Å; F143-I155 HydrophobicContact CB-CG1 4.45Å; F143-I155 HydrophobicContact CD2-CB 4.25Å; F143-I155 HydrophobicContact CD2-CG2 4.39Å; F143-I155 PolarHBondContact N-O 3.33Å; F143-I155 PolarHBondContact O-N 3.14Å |
| 144 | G | 94 | Very high | 87 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 131.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | L134 I135 F152 | L134-G144 WeakPolarHBondContact CA-O 3.1Å; I135-G144 WeakPolarHBondContact CG1-O 3.43Å; I135-G144 PolarHBondContact N-O 2.95Å; I135-G144 PolarHBondContact O-N 3.18Å; G144-F152 VanDerWaalsContact CA-CE2 3.49Å; G144-F152 VanDerWaalsContact CA-CZ 3.44Å |
| 145 | L | 92.1 | Very high | 87 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 122.3 | 177.1 | 178.9 | 70.1 | 0 | 0 | 0 | 109.6 | A97 F121 M132 I133 L134 F147 R153 I155 M167 | A97-L145 HydrophobicContact CB-CD1 4.27Å; F121-L145 HydrophobicContact CE1-CD2 4.04Å; F121-L145 HydrophobicContact CE2-CD2 4.1Å; F121-L145 HydrophobicContact CZ-CD2 3.74Å; M132-L145 HydrophobicContact CG-CD1 3.48Å; M132-L145 VanDerWaalsContact CG-CD1 3.48Å; M132-L145 HydrophobicContact SD-CD1 3.8Å; I133-L145 WeakPolarHBondContact O-CA 3.4Å; L134-L145 HydrophobicContact CB-CD1 4.4Å; L134-L145 HydrophobicContact CD1-CD1 4.34Å; L145-F147 HydrophobicContact CG-CD1 4.49Å; L145-R153 HydrophobicContact CB-CB 4.2Å; L145-R153 PolarHBondContact N-O 2.76Å; L145-R153 PolarHBondContact O-N 3.04Å; L145-I155 HydrophobicContact CB-CD1 3.84Å; L145-I155 HydrophobicContact CB-CG1 4.49Å; L145-I155 HydrophobicContact CD2-CD1 4.13Å; L145-M167 HydrophobicContact CD2-CE 4.3Å |
| 146 | A | 87.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 149.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I133 I177 M180 | I133-A146 PolarHBondContact N-O 2.71Å; I133-A146 PolarHBondContact O-N 3.15Å; A146-I177 HydrophobicContact CB-CD1 4.06Å; A146-M180 HydrophobicContact CB-CE 3.45Å; A146-M180 VanDerWaalsContact CB-CE 3.45Å; A146-M180 HydrophobicContact CB-SD 3.72Å; A146-M180 VanDerWaalsContact N-CE 3.34Å |
| 147 | F | 77.3 | Confident | 86.8 | Confident | 10 Ų | 10 | 31.3 Ų | 31.3 | 4% | 0.044 | 18% | 0.175 | C | C | . | . | trans | -159.7 | -177.6 | 175.5 | 56.9 | -82.2 | 0 | 0 | 0 | 107.4 | T126 M132 L145 E149 | T126-F147 WeakPolarHBondContact OG1-CE2 3.21Å; M132-F147 HydrophobicContact CG-CB 4.39Å; L145-F147 HydrophobicContact CG-CD1 4.49Å; F147-E149 HydrophobicContact CD2-CB 4.33Å; F147-E149 HydrophobicContact CD2-CG 4.31Å; F147-E149 HydrophobicContact CE2-CB 3.81Å; F147-E149 HydrophobicContact CE2-CG 3.59Å; F147-E149 HydrophobicContact CZ-CB 4.27Å; F147-E149 HydrophobicContact CZ-CG 4.29Å; F147-E149 CarbonylContact O-C 3.48Å; F147-E149 PolarHBondContact O-N 2.99Å | ||
| 148 | C | 64.2 | Low | 86.3 | Confident | 87 Ų | 87 | 38.8 Ų | 38.8 | 59% | 0.588 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -52.6 | -7.7 | -169.3 | -141.1 | 0 | 0 | 0 | 0 | 118.1 | ||
| 149 | E | 64.3 | Low | 85.8 | Confident | 51 Ų | 51 | 40.1 Ų | 40.1 | 24% | 0.238 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -77.5 | 142.1 | 167.8 | -73.9 | -178.5 | -150.5 | 0 | 0 | 109.2 | T126 F147 K151 R153 | T126-E149 WeakPolarHBondContact CB-OE1 3.18Å; T126-E149 WeakPolarHBondContact CG2-OE1 3.3Å; F147-E149 HydrophobicContact CD2-CB 4.33Å; F147-E149 HydrophobicContact CD2-CG 4.31Å; F147-E149 HydrophobicContact CE2-CB 3.81Å; F147-E149 HydrophobicContact CE2-CG 3.59Å; F147-E149 HydrophobicContact CZ-CB 4.27Å; F147-E149 HydrophobicContact CZ-CG 4.29Å; F147-E149 CarbonylContact O-C 3.48Å; F147-E149 PolarHBondContact O-N 2.99Å; E149-K151 HydrophobicContact CB-CB 4.29Å; E149-K151 HydrophobicContact CB-CG 4.4Å; E149-K151 PolarHBondContact O-N 2.51Å; E149-K151 WeakPolarHBondContact OE2-CD 3.43Å; E149-K151 IonicContact OE2-NZ 3.95Å; E149-K151 PolarHBondContact OE2-NZ 2.98Å; E149-R153 IonicContact OE2-NH2 3.2Å |
| 150 | A | 74.6 | Confident | 84.9 | Confident | 48 Ų | 48 | 40.7 Ų | 40.7 | 40% | 0.397 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -67.1 | 50.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M171 I172 | A150-M171 HydrophobicContact CB-CE 4.37Å; A150-M171 WeakPolarHBondContact O-CA 3.25Å; A150-M171 WeakPolarHBondContact O-CE 3.42Å; A150-I172 PolarHBondContact O-N 2.85Å |
| 151 | K | 83.4 | Confident | 83.6 | Confident | 70 Ų | 70 | 40.7 Ų | 40.7 | 30% | 0.304 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 126.9 | -173.2 | -66.5 | -177.3 | -164.5 | 148 | 0 | 110.6 | E149 F170 M171 | E149-K151 HydrophobicContact CB-CB 4.29Å; E149-K151 HydrophobicContact CB-CG 4.4Å; E149-K151 PolarHBondContact O-N 2.51Å; E149-K151 WeakPolarHBondContact OE2-CD 3.43Å; E149-K151 IonicContact OE2-NZ 3.95Å; E149-K151 PolarHBondContact OE2-NZ 2.98Å; K151-F170 CarbonylContact C-O 3.54Å; K151-F170 WeakPolarHBondContact CA-O 3.31Å; K151-M171 HydrophobicContact CG-SD 3.86Å |
| 152 | F | 89.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 132 | 166.6 | 175.7 | -107.3 | 0 | 0 | 0 | 108 | G144 L154 S169 F170 I172 M180 F182 I191 M193 V208 L215 | G144-F152 VanDerWaalsContact CA-CE2 3.49Å; G144-F152 VanDerWaalsContact CA-CZ 3.44Å; F152-L154 HydrophobicContact CE1-CB 4.07Å; F152-L154 HydrophobicContact CE1-CD1 3.99Å; F152-L154 HydrophobicContact CZ-CD1 4.25Å; F152-S169 CarbonylContact O-C 3.4Å; F152-S169 WeakPolarHBondContact O-CA 3.4Å; F152-F170 HydrophobicContact CB-CB 4.42Å; F152-F170 AromaticContact CD1-CD2 3.93Å; F152-F170 HydrophobicContact CD1-CD2 3.93Å; F152-F170 PolarHBondContact N-O 2.89Å; F152-F170 PolarHBondContact O-N 2.86Å; F152-I172 HydrophobicContact CB-CD1 3.61Å; F152-I172 HydrophobicContact CB-CG1 3.76Å; F152-M180 HydrophobicContact CD2-SD 4.16Å; F152-M180 HydrophobicContact CE2-CE 4.26Å; F152-M180 HydrophobicContact CE2-SD 4.01Å; F152-F182 HydrophobicContact CZ-CZ 4.27Å; F152-I191 HydrophobicContact CD1-CD1 4.07Å; F152-I191 HydrophobicContact CD2-CD1 4.13Å; F152-I191 HydrophobicContact CE1-CD1 3.48Å; F152-I191 VanDerWaalsContact CE1-CD1 3.48Å; F152-I191 HydrophobicContact CE2-CD1 3.55Å; F152-I191 HydrophobicContact CG-CD1 4.37Å; F152-I191 HydrophobicContact CZ-CD1 3.19Å; F152-I191 HydrophobicContact CZ-CG1 4.3Å; F152-M193 HydrophobicContact CD2-CE 4.16Å; F152-M193 HydrophobicContact CG-CE 4.4Å; F152-V208 HydrophobicContact CE1-CG2 4.04Å; F152-L215 HydrophobicContact CB-CD1 4.03Å; F152-L215 HydrophobicContact CD1-CD2 4.24Å |
| 153 | R | 90.6 | Very high | 81.3 | Confident | 17 Ų | 17 | 47.2 Ų | 47.2 | 6% | 0.064 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 119.2 | 174.4 | -66.3 | -171.9 | 178.6 | 135.6 | 2.2 | 110.6 | F121 L145 E149 N168 | F121-R153 VanDerWaalsContact CE2-NH1 3.28Å; L145-R153 HydrophobicContact CB-CB 4.2Å; L145-R153 PolarHBondContact N-O 2.76Å; L145-R153 PolarHBondContact O-N 3.04Å; E149-R153 IonicContact OE2-NH2 3.2Å; R153-N168 CarbonylContact C-O 3.5Å; R153-N168 VanDerWaalsContact CA-O 3.28Å; R153-N168 WeakPolarHBondContact CA-O 3.45Å |
| 154 | L | 93.6 | Very high | 80.7 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 122.1 | 168 | -166.3 | 78.1 | 0 | 0 | 0 | 109 | V142 F143 F152 M167 N168 F170 F182 V208 E210 | V142-L154 HydrophobicContact CB-CD1 3.94Å; V142-L154 HydrophobicContact CB-CG 4.31Å; V142-L154 HydrophobicContact CG2-CD1 3.81Å; F143-L154 CarbonylContact O-C 3.57Å; F143-L154 WeakPolarHBondContact O-CA 3.17Å; F152-L154 HydrophobicContact CE1-CB 4.07Å; F152-L154 HydrophobicContact CE1-CD1 3.99Å; F152-L154 HydrophobicContact CZ-CD1 4.25Å; L154-M167 WeakPolarHBondContact O-CA 3.16Å; L154-N168 PolarHBondContact N-O 3.03Å; L154-N168 PolarHBondContact O-N 2.87Å; L154-F170 HydrophobicContact CB-CD2 4.41Å; L154-F170 HydrophobicContact CB-CE2 3.66Å; L154-F182 HydrophobicContact CD1-CZ 4.34Å; L154-V208 HydrophobicContact CD1-CG1 4.3Å; L154-V208 HydrophobicContact CD2-CG1 3.97Å; L154-E210 HydrophobicContact CD2-CG 3.81Å |
| 155 | I | 94.1 | Very high | 80.4 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.6 | -178.2 | -45.1 | 172.2 | 0 | 0 | 0 | 108.2 | F103 F143 L145 I165 T166 M167 | F103-I155 HydrophobicContact CD1-CG2 4.25Å; F103-I155 HydrophobicContact CD2-CD1 3.86Å; F103-I155 HydrophobicContact CE1-CD1 4.37Å; F103-I155 HydrophobicContact CE1-CG2 3.85Å; F103-I155 HydrophobicContact CE2-CD1 3.63Å; F103-I155 HydrophobicContact CG-CD1 4.32Å; F103-I155 HydrophobicContact CZ-CD1 3.9Å; F103-I155 HydrophobicContact CZ-CG2 4.21Å; F143-I155 HydrophobicContact CB-CB 4.03Å; F143-I155 HydrophobicContact CB-CD1 4.31Å; F143-I155 HydrophobicContact CB-CG1 4.45Å; F143-I155 HydrophobicContact CD2-CB 4.25Å; F143-I155 HydrophobicContact CD2-CG2 4.39Å; F143-I155 PolarHBondContact N-O 3.33Å; F143-I155 PolarHBondContact O-N 3.14Å; L145-I155 HydrophobicContact CB-CD1 3.84Å; L145-I155 HydrophobicContact CB-CG1 4.49Å; L145-I155 HydrophobicContact CD2-CD1 4.13Å; I155-I165 HydrophobicContact CG2-CG2 3.4Å; I155-I165 VanDerWaalsContact CG2-CG2 3.4Å; I155-T166 WeakPolarHBondContact CA-O 3.45Å; I155-M167 HydrophobicContact CB-CG 4.4Å; I155-M167 HydrophobicContact CD1-CE 3.33Å; I155-M167 HydrophobicContact CG1-CE 3.53Å; I155-M167 HydrophobicContact CG1-CG 4.1Å; I155-M167 HydrophobicContact CG2-CE 4.29Å; I155-M167 HydrophobicContact CG2-CG 3.99Å |
| 156 | K | 91.2 | Very high | 80.4 | Confident | 66 Ų | 66 | 56.2 Ų | 56.2 | 29% | 0.287 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 146.4 | 171.9 | -46.6 | -174.9 | 158.6 | 176.2 | 0 | 110.9 | V142 T166 E210 | V142-K156 HydrophobicContact CG1-CD 4.26Å; V142-K156 HydrophobicContact CG1-CG 3.85Å; K156-T166 WeakPolarHBondContact CB-OG1 3.17Å; K156-T166 PolarHBondContact N-O 3.34Å; K156-T166 PolarHBondContact O-N 2.95Å; K156-T166 PolarHBondContact O-OG1 2.99Å; K156-E210 VanDerWaalsContact CE-CD 3.42Å; K156-E210 WeakPolarHBondContact CE-OE1 3.43Å; K156-E210 WeakPolarHBondContact CE-OE2 3.33Å; K156-E210 IonicContact NZ-OE1 2.75Å; K156-E210 PolarHBondContact NZ-OE1 2.72Å; K156-E210 IonicContact NZ-OE2 2.74Å; K156-E210 PolarHBondContact NZ-OE2 2.71Å |
| 157 | W | 89.7 | Confident | 80.4 | Confident | 12 Ų | 12 | 57.7 Ų | 57.7 | 5% | 0.045 | 32% | 0.317 | C | S | . | . | trans | -149.9 | 139.9 | 173.5 | 174.4 | 82.5 | 0 | 0 | 0 | 109.5 | F67 A69 I105 I116 R159 I165 | F67-W157 AromaticContact CE2-CE3 3.95Å; F67-W157 HydrophobicContact CE2-CE3 3.95Å; F67-W157 AromaticContact CE2-CZ3 3.92Å; F67-W157 HydrophobicContact CE2-CZ3 3.92Å; F67-W157 HydrophobicContact CZ-CE3 4.07Å; F67-W157 HydrophobicContact CZ-CZ3 4.04Å; A69-W157 HydrophobicContact CB-CH2 4.29Å; A69-W157 HydrophobicContact CB-CZ3 3.73Å; I105-W157 HydrophobicContact CD1-CB 3.48Å; I105-W157 VanDerWaalsContact CD1-CB 3.48Å; I105-W157 HydrophobicContact CD1-CD2 3.45Å; I105-W157 VanDerWaalsContact CD1-CD2 3.45Å; I105-W157 HydrophobicContact CD1-CE3 4.04Å; I105-W157 HydrophobicContact CD1-CG 3.16Å; I116-W157 HydrophobicContact CB-CZ2 4.41Å; I116-W157 HydrophobicContact CD1-CH2 3.47Å; I116-W157 VanDerWaalsContact CD1-CH2 3.47Å; I116-W157 HydrophobicContact CD1-CZ2 3.56Å; I116-W157 HydrophobicContact CD1-CZ3 4.46Å; I116-W157 HydrophobicContact CG1-CH2 4.34Å; I116-W157 HydrophobicContact CG1-CZ2 3.94Å; W157-R159 HydrophobicContact CH2-CB 3.77Å; W157-R159 HydrophobicContact CH2-CG 3.91Å; W157-R159 HydrophobicContact CZ2-CB 4.34Å; W157-R159 HydrophobicContact CZ2-CG 4.41Å; W157-R159 HydrophobicContact CZ3-CB 4.22Å; W157-I165 HydrophobicContact CG-CG1 4.47Å | ||
| 158 | R | 82.3 | Confident | 81 | Confident | 161 Ų | 161 | 59.8 Ų | 59.8 | 61% | 0.608 | 33% | 0.328 | S | S | * | . | trans | -127.3 | 137.3 | 178.3 | -87.9 | -177.5 | 170.4 | 178.2 | -6 | 110.9 | E70 | E70-R158 IonicContact OE1-CZ 2.84Å; E70-R158 IonicContact OE1-NE 3.8Å; E70-R158 PolarHBondContact OE1-NE 3.17Å; E70-R158 IonicContact OE1-NH2 2.92Å; E70-R158 PolarHBondContact OE1-NH2 3.23Å; E70-R158 VanDerWaalsContact OE2-CG 3.27Å; E70-R158 WeakPolarHBondContact OE2-CG 3.15Å; E70-R158 IonicContact OE2-CZ 2.88Å; E70-R158 IonicContact OE2-NE 2.77Å; E70-R158 PolarHBondContact OE2-NE 2.97Å; E70-R158 IonicContact OE2-NH2 3.24Å; E70-R158 PolarHBondContact OE2-NH2 2.79Å | ||
| 159 | R | 78 | Confident | 82.2 | Confident | 117 Ų | 117 | 59 Ų | 59 | 44% | 0.442 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 132.7 | 176.5 | -158.1 | 171.5 | -166.3 | -175.7 | 2.9 | 110 | E107 W157 | E107-R159 IonicContact OE2-CZ 2.82Å; E107-R159 IonicContact OE2-NE 3.64Å; E107-R159 IonicContact OE2-NH2 3.53Å; E107-R159 PolarHBondContact OE2-NH2 3.04Å; W157-R159 HydrophobicContact CH2-CB 3.77Å; W157-R159 HydrophobicContact CH2-CG 3.91Å; W157-R159 HydrophobicContact CZ2-CB 4.34Å; W157-R159 HydrophobicContact CZ2-CG 4.41Å; W157-R159 HydrophobicContact CZ3-CB 4.22Å |
| 160 | G | 67.9 | Low | 83.4 | Confident | 73 Ų | 73 | 56.8 Ų | 56.8 | 75% | 0.753 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | -2 | 175 | 0 | 0 | 0 | 0 | 0 | 116 | N163 | G160-N163 PolarHBondContact N-OD1 3.07Š|
| 161 | G | 63.1 | Low | 84 | Confident | 52 Ų | 52 | 60.8 Ų | 60.8 | 54% | 0.536 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -81.5 | -151.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112 | N163 | G161-N163 PolarHBondContact O-N 2.61Š|
| 162 | D | 64.5 | Low | 84.1 | Confident | 157 Ų | 157 | 58 Ų | 58 | 84% | 0.84 | 31% | 0.313 | S | S | * | . | trans | -63.8 | 1.8 | 171 | -67.4 | -24.5 | 0 | 0 | 0 | 113.2 | E164 | D162-E164 HydrophobicContact CB-CB 4.2Å; D162-E164 PolarHBondContact O-N 2.83Å | ||
| 163 | N | 71.1 | Confident | 83.8 | Confident | 67 Ų | 67 | 62.6 Ų | 62.6 | 36% | 0.358 | 35% | 0.346 | S | S | . | . | trans | 50.3 | 20.9 | -168 | -68.4 | -22.8 | 0 | 0 | 0 | 112.9 | G160 G161 | G160-N163 PolarHBondContact N-OD1 3.07Å; G161-N163 PolarHBondContact O-N 2.61Å | ||
| 164 | E | 81.2 | Confident | 83.4 | Confident | 126 Ų | 126 | 62.3 Ų | 62.3 | 59% | 0.589 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -77.9 | 131.5 | -178.9 | -162.5 | -179.3 | 174.3 | 0 | 0 | 109.7 | D162 | D162-E164 HydrophobicContact CB-CB 4.2Å; D162-E164 PolarHBondContact O-N 2.83Å |
| 165 | I | 88.9 | Confident | 82.4 | Confident | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 120.2 | 175.2 | -57.7 | -176.7 | 0 | 0 | 0 | 107.4 | F103 I105 K119 I155 W157 M167 | F103-I165 HydrophobicContact CD1-CD1 3.72Å; F103-I165 HydrophobicContact CD1-CG2 4.08Å; F103-I165 HydrophobicContact CE1-CD1 4.18Å; F103-I165 HydrophobicContact CE1-CG2 4.36Å; I105-I165 HydrophobicContact CD1-CD1 3.79Å; I105-I165 HydrophobicContact CD1-CG1 4.11Å; I105-I165 HydrophobicContact CG1-CD1 3.97Å; K119-I165 HydrophobicContact CB-CB 3.93Å; K119-I165 HydrophobicContact CB-CD1 4.26Å; K119-I165 HydrophobicContact CB-CG2 4.24Å; K119-I165 HydrophobicContact CD-CB 3.98Å; K119-I165 HydrophobicContact CD-CG2 4.21Å; K119-I165 WeakPolarHBondContact CD-O 3.49Å; K119-I165 WeakPolarHBondContact CE-O 3.39Å; K119-I165 PolarHBondContact NZ-O 2.9Å; I155-I165 HydrophobicContact CG2-CG2 3.4Å; I155-I165 VanDerWaalsContact CG2-CG2 3.4Å; W157-I165 HydrophobicContact CG-CG1 4.47Å; I165-M167 HydrophobicContact CG2-CG 4.26Å |
| 166 | T | 90.7 | Very high | 81.8 | Confident | 63 Ų | 63 | 71.5 Ų | 71.5 | 39% | 0.387 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 138.8 | 173.6 | 56.7 | 0 | 0 | 0 | 0 | 109.9 | I155 K156 | I155-T166 WeakPolarHBondContact CA-O 3.45Å; K156-T166 WeakPolarHBondContact CB-OG1 3.17Å; K156-T166 PolarHBondContact N-O 3.34Å; K156-T166 PolarHBondContact O-N 2.95Å; K156-T166 PolarHBondContact O-OG1 2.99Å |
| 167 | M | 89.1 | Confident | 81.6 | Confident | 30 Ų | 30 | 69.8 Ų | 69.8 | 15% | 0.148 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 116.6 | -178.8 | -67.9 | -179.6 | 117.8 | 0 | 0 | 109.9 | F103 K119 F121 L145 L154 I155 I165 | F103-M167 HydrophobicContact CB-CE 4.25Å; F103-M167 HydrophobicContact CG-CE 4.4Å; K119-M167 HydrophobicContact CD-CG 4.28Å; K119-M167 HydrophobicContact CD-SD 4.12Å; K119-M167 HydrophobicContact CG-SD 4.21Å; F121-M167 HydrophobicContact CB-CE 3.8Å; F121-M167 HydrophobicContact CB-SD 3.43Å; F121-M167 WeakPolarHBondContact CB-SD 3.36Å; F121-M167 HydrophobicContact CD1-CE 3.72Å; F121-M167 HydrophobicContact CD1-SD 4.33Å; F121-M167 HydrophobicContact CE1-CE 4.49Å; F121-M167 HydrophobicContact CG-CE 3.97Å; F121-M167 HydrophobicContact CG-SD 4.25Å; L145-M167 HydrophobicContact CD2-CE 4.3Å; L154-M167 WeakPolarHBondContact O-CA 3.16Å; I155-M167 HydrophobicContact CB-CG 4.4Å; I155-M167 HydrophobicContact CD1-CE 3.33Å; I155-M167 HydrophobicContact CG1-CE 3.53Å; I155-M167 HydrophobicContact CG1-CG 4.1Å; I155-M167 HydrophobicContact CG2-CE 4.29Å; I155-M167 HydrophobicContact CG2-CG 3.99Å; I165-M167 HydrophobicContact CG2-CG 4.26Å |
| 168 | N | 89.9 | Confident | 81.5 | Confident | 55 Ų | 55 | 70.9 Ų | 70.9 | 29% | 0.294 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 129.6 | 175.4 | -67.6 | -3.3 | 0 | 0 | 0 | 108.4 | R153 L154 F170 | R153-N168 CarbonylContact C-O 3.5Å; R153-N168 VanDerWaalsContact CA-O 3.28Å; R153-N168 WeakPolarHBondContact CA-O 3.45Å; L154-N168 PolarHBondContact N-O 3.03Å; L154-N168 PolarHBondContact O-N 2.87Å; N168-F170 HydrophobicContact CB-CE2 3.77Å; N168-F170 HydrophobicContact CB-CZ 4.11Å |
| 169 | S | 89.3 | Confident | 81.8 | Confident | 69 Ų | 69 | 64.6 Ų | 64.6 | 48% | 0.483 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 130.9 | 178.2 | -57.8 | 0 | 0 | 0 | 0 | 109.7 | F152 | F152-S169 CarbonylContact O-C 3.4Å; F152-S169 WeakPolarHBondContact O-CA 3.4Å |
| 170 | F | 89.6 | Confident | 82.4 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 2% | 0.022 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 140.1 | 178.2 | -58.3 | -95.9 | 0 | 0 | 0 | 108.6 | K151 F152 L154 N168 V208 E210 L215 | K151-F170 CarbonylContact C-O 3.54Å; K151-F170 WeakPolarHBondContact CA-O 3.31Å; F152-F170 HydrophobicContact CB-CB 4.42Å; F152-F170 AromaticContact CD1-CD2 3.93Å; F152-F170 HydrophobicContact CD1-CD2 3.93Å; F152-F170 PolarHBondContact N-O 2.89Å; F152-F170 PolarHBondContact O-N 2.86Å; L154-F170 HydrophobicContact CB-CD2 4.41Å; L154-F170 HydrophobicContact CB-CE2 3.66Å; N168-F170 HydrophobicContact CB-CE2 3.77Å; N168-F170 HydrophobicContact CB-CZ 4.11Å; F170-V208 HydrophobicContact CE1-CG1 4.2Å; F170-V208 HydrophobicContact CE2-CG1 4Å; F170-V208 HydrophobicContact CZ-CG1 3.75Å; F170-E210 HydrophobicContact CZ-CG 4.26Å; F170-L215 HydrophobicContact CB-CD1 3.96Å; F170-L215 HydrophobicContact CB-CG 3.87Å; F170-L215 HydrophobicContact CG-CG 4.34Å |
| 171 | M | 87.3 | Confident | 83.6 | Confident | 132 Ų | 132 | 56.7 Ų | 56.7 | 65% | 0.65 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 139 | 174.6 | -67.5 | -62.1 | -59 | 0 | 0 | 110 | A150 K151 | A150-M171 HydrophobicContact CB-CE 4.37Å; A150-M171 WeakPolarHBondContact O-CA 3.25Å; A150-M171 WeakPolarHBondContact O-CE 3.42Å; K151-M171 HydrophobicContact CG-SD 3.86Å |
| 172 | I | 84.6 | Confident | 85.1 | Confident | 11 Ų | 11 | 54.8 Ų | 54.8 | 6% | 0.056 | 31% | 0.307 | C | S | . | . | trans | -106.3 | 139.2 | 176.3 | -56.4 | 176.2 | 0 | 0 | 0 | 107.8 | A150 F152 E174 I177 M193 L215 | A150-I172 PolarHBondContact O-N 2.85Å; F152-I172 HydrophobicContact CB-CD1 3.61Å; F152-I172 HydrophobicContact CB-CG1 3.76Å; I172-E174 HydrophobicContact CG2-CB 3.84Å; I172-E174 HydrophobicContact CG2-CG 4.42Å; I172-E174 WeakPolarHBondContact CG2-OE2 3.34Å; I172-I177 HydrophobicContact CD1-CD1 3.38Å; I172-I177 HydrophobicContact CG2-CD1 4.36Å; I172-M193 HydrophobicContact CD1-CE 4.44Å; I172-M193 HydrophobicContact CG2-SD 4.48Å; I172-L215 HydrophobicContact CG1-CD1 3.97Å | ||
| 173 | S | 81.9 | Confident | 86.4 | Confident | 98 Ų | 98 | 47.6 Ų | 47.6 | 69% | 0.685 | 27% | 0.268 | S | S | * | . | trans | -86.2 | -18.8 | 178.4 | 45 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 174 | E | 82.5 | Confident | 87.2 | Confident | 11 Ų | 11 | 46 Ų | 46 | 5% | 0.051 | 26% | 0.261 | C | S | . | . | trans | -81.9 | 133.8 | -176.2 | -64.6 | 77.2 | 173.7 | 0 | 0 | 111.3 | I172 H195 Q204 H206 | I172-E174 HydrophobicContact CG2-CB 3.84Å; I172-E174 HydrophobicContact CG2-CG 4.42Å; I172-E174 WeakPolarHBondContact CG2-OE2 3.34Å; E174-H195 HydrophobicContact CB-CB 4.04Å; E174-H195 HydrophobicContact CG-CB 4.32Å; E174-Q204 VanDerWaalsContact OE1-CD 3.29Å; E174-Q204 PolarHBondContact OE1-OE1 3.01Å; E174-H206 IonicContact OE1-CD2 3.98Å; E174-H206 IonicContact OE1-CE1 2.77Å; E174-H206 PolarHBondContact OE1-CE1 3.01Å; E174-H206 IonicContact OE1-NE2 3.9Å; E174-H206 PolarHBondContact OE1-NE2 3.27Å; E174-H206 IonicContact OE2-NE2 3.39Å | ||
| 175 | D | 73.3 | Confident | 87.4 | Confident | 128 Ų | 128 | 44.3 Ų | 44.3 | 68% | 0.684 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -71.1 | -50.5 | -170.2 | -69 | -34.3 | 0 | 0 | 0 | 113.5 | ||
| 176 | S | 82.5 | Confident | 87.5 | Confident | 67 Ų | 67 | 47.3 Ų | 47.3 | 47% | 0.469 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 103.6 | -172.3 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | H195 C196 | S176-H195 CarbonylContact O-C 3.53Å; S176-H195 WeakPolarHBondContact O-CA 3.31Å; S176-H195 WeakPolarHBondContact O-CB 3.4Å; S176-C196 PolarHBondContact O-N 2.96Å |
| 177 | I | 86.6 | Confident | 87.4 | Confident | 30 Ų | 30 | 53.2 Ų | 53.2 | 15% | 0.154 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 124.5 | 176.3 | -56.3 | 168.4 | 0 | 0 | 0 | 108.2 | I133 A146 I172 M193 | I133-I177 HydrophobicContact CD1-CG2 3.99Å; A146-I177 HydrophobicContact CB-CD1 4.06Å; I172-I177 HydrophobicContact CD1-CD1 3.38Å; I172-I177 HydrophobicContact CG2-CD1 4.36Å; I177-M193 HydrophobicContact CD1-SD 4.49Å |
| 178 | V | 86.7 | Confident | 87.5 | Confident | 35 Ų | 35 | 55.5 Ų | 55.5 | 21% | 0.212 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -51.5 | 175.3 | -179.6 | 0 | 0 | 0 | 0 | 109.9 | L194 C196 V230 | V178-L194 HydrophobicContact CB-CD2 4.13Å; V178-L194 HydrophobicContact CB-CG 4.02Å; V178-L194 WeakPolarHBondContact CB-O 3.22Å; V178-L194 HydrophobicContact CG1-CD2 4.02Å; V178-L194 HydrophobicContact CG1-CG 4.44Å; V178-L194 PolarHBondContact N-O 3.19Å; V178-C196 HydrophobicContact CG2-CB 4.38Å; V178-V230 WeakPolarHBondContact CG1-O 3.38Å |
| 179 | D | 88.7 | Confident | 87.7 | Confident | 29 Ų | 29 | 53.4 Ų | 53.4 | 16% | 0.155 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 161.1 | -179.3 | -162.5 | 8 | 0 | 0 | 0 | 109.9 | L194 S231 I232 | D179-L194 PolarHBondContact N-O 3.38Å; D179-L194 PolarHBondContact O-N 2.82Å; D179-S231 VanDerWaalsContact OD2-CA 3.23Å; D179-S231 WeakPolarHBondContact OD2-CA 3.05Å; D179-S231 WeakPolarHBondContact OD2-CB 2.99Å; D179-S231 PolarHBondContact OD2-OG 2.87Å; D179-I232 HydrophobicContact CB-CG2 3.79Å; D179-I232 PolarHBondContact OD2-N 3.12Å |
| 180 | M | 91.6 | Very high | 88 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 156.6 | 177.1 | 58.4 | 169 | -173.4 | 0 | 0 | 112 | I133 I135 A146 F152 I191 A192 M193 | I133-M180 HydrophobicContact CB-CE 3.87Å; I133-M180 HydrophobicContact CB-CG 4.32Å; I133-M180 HydrophobicContact CG2-CE 3.72Å; I133-M180 HydrophobicContact CG2-CG 3.6Å; I133-M180 VanDerWaalsContact O-CE 3.24Å; I133-M180 WeakPolarHBondContact O-CE 3.33Å; I135-M180 HydrophobicContact CD1-CB 4.49Å; I135-M180 HydrophobicContact CD1-CE 4.01Å; I135-M180 HydrophobicContact CD1-CG 3.97Å; I135-M180 HydrophobicContact CD1-SD 3.84Å; I135-M180 HydrophobicContact CG1-CE 3.89Å; I135-M180 HydrophobicContact CG1-SD 4.39Å; I135-M180 HydrophobicContact CG2-CG 4.36Å; I135-M180 VanDerWaalsContact CG2-O 3.26Å; I135-M180 WeakPolarHBondContact CG2-O 3.36Å; A146-M180 HydrophobicContact CB-CE 3.45Å; A146-M180 VanDerWaalsContact CB-CE 3.45Å; A146-M180 HydrophobicContact CB-SD 3.72Å; A146-M180 VanDerWaalsContact N-CE 3.34Å; F152-M180 HydrophobicContact CD2-SD 4.16Å; F152-M180 HydrophobicContact CE2-CE 4.26Å; F152-M180 HydrophobicContact CE2-SD 4.01Å; M180-I191 HydrophobicContact CB-CG2 4.09Å; M180-I191 HydrophobicContact SD-CG2 4.48Å; M180-A192 CarbonylContact C-O 3.53Å; M180-A192 VanDerWaalsContact CA-O 3.26Å; M180-A192 WeakPolarHBondContact CA-O 3.12Å; M180-M193 HydrophobicContact CB-CG 4.16Å |
| 181 | T | 92.6 | Very high | 88.2 | Confident | 21 Ų | 21 | 50 Ų | 50 | 13% | 0.129 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 151.6 | 178 | -166.7 | 0 | 0 | 0 | 0 | 111.3 | I191 A192 I232 A234 | T181-I191 CarbonylContact O-C 3.57Å; T181-I191 WeakPolarHBondContact O-CA 3.27Å; T181-A192 HydrophobicContact CG2-CB 4.18Å; T181-A192 PolarHBondContact N-O 3.09Å; T181-A192 PolarHBondContact O-N 3.35Å; T181-I232 HydrophobicContact CG2-CD1 4.49Å; T181-I232 HydrophobicContact CG2-CG1 4.13Å; T181-I232 HydrophobicContact CG2-CG2 4.2Å; T181-A234 HydrophobicContact CG2-CB 3.8Å; T181-A234 WeakPolarHBondContact OG1-CB 3.34Å; T181-A234 PolarHBondContact OG1-N 2.84Å |
| 182 | F | 93.9 | Very high | 88.5 | Confident | 13 Ų | 13 | 43.7 Ų | 43.7 | 6% | 0.057 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 133.8 | 172.1 | -80 | -70.1 | 0 | 0 | 0 | 110.3 | I135 D137 V142 F152 L154 P189 T190 I191 A234 | I135-F182 HydrophobicContact CB-CD2 4.03Å; I135-F182 HydrophobicContact CB-CE2 4.26Å; I135-F182 HydrophobicContact CD1-CD2 3.52Å; I135-F182 HydrophobicContact CD1-CE2 3.61Å; I135-F182 HydrophobicContact CD1-CG 4.05Å; I135-F182 HydrophobicContact CD1-CZ 4.16Å; I135-F182 HydrophobicContact CG1-CD2 3.66Å; I135-F182 HydrophobicContact CG1-CE2 3.52Å; I135-F182 HydrophobicContact CG1-CZ 4.37Å; D137-F182 HydrophobicContact CB-CB 4.21Å; D137-F182 HydrophobicContact CB-CD1 4.04Å; D137-F182 HydrophobicContact CB-CD2 3.58Å; D137-F182 HydrophobicContact CB-CE1 4.26Å; D137-F182 HydrophobicContact CB-CE2 3.79Å; D137-F182 HydrophobicContact CB-CG 3.7Å; D137-F182 HydrophobicContact CB-CZ 4.15Å; V142-F182 HydrophobicContact CG2-CZ 4.13Å; F152-F182 HydrophobicContact CZ-CZ 4.27Å; L154-F182 HydrophobicContact CD1-CZ 4.34Å; F182-P189 HydrophobicContact CD1-CB 4.41Å; F182-P189 HydrophobicContact CE1-CB 3.88Å; F182-T190 CarbonylContact C-O 3.6Å; F182-T190 WeakPolarHBondContact CA-O 3.43Å; F182-I191 HydrophobicContact CD1-CG1 3.67Å; F182-I191 HydrophobicContact CE1-CD1 4.07Å; F182-I191 HydrophobicContact CE1-CG1 3.43Å; F182-I191 VanDerWaalsContact CE1-CG1 3.43Å; F182-I191 HydrophobicContact CZ-CG1 4.25Å; F182-A234 WeakPolarHBondContact O-CB 3.36Å |
| 183 | L | 92.3 | Very high | 88.9 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -84 | 124.8 | 174.7 | -62.9 | -177.5 | 0 | 0 | 0 | 110.1 | Y186 T190 A192 T205 W220 A234 V242 | L183-Y186 HydrophobicContact CB-CD2 3.71Å; L183-Y186 HydrophobicContact CB-CE2 3.77Å; L183-Y186 HydrophobicContact CD1-CE2 4.07Å; L183-T190 HydrophobicContact CB-CG2 4.49Å; L183-T190 HydrophobicContact CD1-CG2 4.11Å; L183-T190 PolarHBondContact N-O 3.25Å; L183-A192 HydrophobicContact CD1-CB 4.34Å; L183-A192 HydrophobicContact CD2-CB 3.96Å; L183-A192 HydrophobicContact CG-CB 4.12Å; L183-T205 HydrophobicContact CD1-CG2 3.89Å; L183-W220 HydrophobicContact CD1-CZ2 4.28Å; L183-A234 HydrophobicContact CD2-CB 4.46Å; L183-V242 HydrophobicContact CD2-CG2 3.48Å; L183-V242 VanDerWaalsContact CD2-CG2 3.48Å |
| 184 | P | 87.6 | Confident | 89.3 | Confident | 33 Ų | 33 | 38.5 Ų | 38.5 | 21% | 0.214 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 163.2 | 178.8 | 28.4 | -33.3 | 0 | 0 | 0 | 112 | Y186 I235 L240 | P184-Y186 VanDerWaalsContact C-N 3.29Å; P184-Y186 WeakPolarHBondContact O-CD2 3.47Å; P184-Y186 PolarHBondContact O-N 2.75Å; P184-I235 WeakPolarHBondContact CG-O 3.46Å; P184-L240 HydrophobicContact CB-CD2 4.45Å; P184-L240 HydrophobicContact CG-CD2 3.88Å |
| 185 | C | 86.2 | Confident | 89.6 | Confident | 92 Ų | 92 | 38.3 Ų | 38.3 | 62% | 0.622 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 19.3 | 172.6 | -60.7 | 0 | 0 | 0 | 0 | 116.6 | P237 L240 | C185-P237 VanDerWaalsContact SG-CG 3.59Å; C185-L240 HydrophobicContact CB-CD2 4.22Å |
| 186 | Y | 89.8 | Confident | 90.2 | Very high | 65 Ų | 65 | 34.2 Ų | 34.2 | 26% | 0.255 | 19% | 0.186 | S | C | . | . | trans | -94 | 152.6 | 169.3 | -78.2 | -82.9 | 0 | 0 | 0 | 112 | H140 L183 P184 K188 T190 P219 E255 | H140-Y186 PolarHBondContact CE1-O 2.74Å; H140-Y186 PolarHBondContact NE2-O 2.81Å; L183-Y186 HydrophobicContact CB-CD2 3.71Å; L183-Y186 HydrophobicContact CB-CE2 3.77Å; L183-Y186 HydrophobicContact CD1-CE2 4.07Å; P184-Y186 VanDerWaalsContact C-N 3.29Å; P184-Y186 WeakPolarHBondContact O-CD2 3.47Å; P184-Y186 PolarHBondContact O-N 2.75Å; Y186-K188 VanDerWaalsContact C-N 3.35Å; Y186-K188 WeakPolarHBondContact CB-O 3.34Å; Y186-T190 WeakPolarHBondContact CB-OG1 3.49Å; Y186-T190 HydrophobicContact CD2-CG2 4.43Å; Y186-T190 HydrophobicContact CG-CG2 4.37Å; Y186-P219 HydrophobicContact CE1-CB 4.12Å; Y186-P219 HydrophobicContact CE1-CG 3.72Å; Y186-P219 VanDerWaalsContact OH-CG 3.29Å; Y186-P219 WeakPolarHBondContact OH-CG 3.38Å; Y186-E255 PolarHBondContact OH-OE1 3.27Å; Y186-E255 PolarHBondContact OH-OE2 3.02Å; Y186-E255 VanDerWaalsContact OH-OE2 3.07Å | ||
| 187 | E | 89.4 | Confident | 90.3 | Very high | 186 Ų | 186 | 32.5 Ų | 32.5 | 87% | 0.869 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -71.9 | -28.9 | -179.5 | -172.2 | -174 | 173.4 | 0 | 0 | 113.1 | H140 | H140-E187 VanDerWaalsContact NE2-C 3.31Å; H140-E187 PolarHBondContact NE2-O 2.87Å; H140-E187 VanDerWaalsContact NE2-O 3.09Å |
| 188 | K | 91.9 | Very high | 90.1 | Very high | 78 Ų | 78 | 38.4 Ų | 38.4 | 34% | 0.339 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -120.9 | 155.7 | 174.7 | -70.8 | -177.4 | -177.7 | 174.5 | 0 | 109.1 | Y186 T190 V207 D209 | Y186-K188 VanDerWaalsContact C-N 3.35Å; Y186-K188 WeakPolarHBondContact CB-O 3.34Å; K188-T190 PolarHBondContact O-N 3.06Å; K188-T190 PolarHBondContact O-OG1 3.13Å; K188-V207 HydrophobicContact CB-CG1 3.71Å; K188-V207 HydrophobicContact CD-CG1 3.86Å; K188-V207 HydrophobicContact CG-CG1 4.43Å; K188-D209 IonicContact NZ-OD1 2.71Å; K188-D209 IonicContact NZ-OD2 3.7Å; K188-D209 PolarHBondContact NZ-OD2 3.04Å |
| 189 | P | 93.7 | Very high | 89.9 | Confident | 11 Ų | 11 | 44.9 Ų | 44.9 | 7% | 0.071 | 23% | 0.229 | C | C | . | . | trans | -54.6 | 118 | 174.6 | -19.4 | 28.5 | 0 | 0 | 0 | 109.7 | H140 V142 F182 V208 | H140-P189 HydrophobicContact CB-CG 3.83Å; V142-P189 HydrophobicContact CG2-CB 4.17Å; V142-P189 HydrophobicContact CG2-CG 4.07Å; F182-P189 HydrophobicContact CD1-CB 4.41Å; F182-P189 HydrophobicContact CE1-CB 3.88Å; P189-V208 HydrophobicContact CB-CB 4.21Å; P189-V208 HydrophobicContact CB-CG2 4.3Å; P189-V208 WeakPolarHBondContact O-CG2 3.11Å; P189-V208 PolarHBondContact O-N 3.18Å | ||
| 190 | T | 94.7 | Very high | 89.7 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127.8 | -175.8 | -57.3 | 0 | 0 | 0 | 0 | 108.5 | F182 L183 Y186 K188 H206 V207 P219 | F182-T190 CarbonylContact C-O 3.6Å; F182-T190 WeakPolarHBondContact CA-O 3.43Å; L183-T190 HydrophobicContact CB-CG2 4.49Å; L183-T190 HydrophobicContact CD1-CG2 4.11Å; L183-T190 PolarHBondContact N-O 3.25Å; Y186-T190 WeakPolarHBondContact CB-OG1 3.49Å; Y186-T190 HydrophobicContact CD2-CG2 4.43Å; Y186-T190 HydrophobicContact CG-CG2 4.37Å; K188-T190 PolarHBondContact O-N 3.06Å; K188-T190 PolarHBondContact O-OG1 3.13Å; T190-H206 CarbonylContact C-O 3.59Å; T190-H206 WeakPolarHBondContact CA-O 3.3Å; T190-V207 HydrophobicContact CG2-CG2 4.14Å; T190-P219 HydrophobicContact CG2-CG 4.35Å |
| 191 | I | 94.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 134.5 | -172.2 | -53.4 | 156.9 | 0 | 0 | 0 | 108.2 | I135 F152 M180 T181 F182 M193 T205 H206 V208 L215 | I135-I191 HydrophobicContact CD1-CG2 4.19Å; F152-I191 HydrophobicContact CD1-CD1 4.07Å; F152-I191 HydrophobicContact CD2-CD1 4.13Å; F152-I191 HydrophobicContact CE1-CD1 3.48Å; F152-I191 VanDerWaalsContact CE1-CD1 3.48Å; F152-I191 HydrophobicContact CE2-CD1 3.55Å; F152-I191 HydrophobicContact CG-CD1 4.37Å; F152-I191 HydrophobicContact CZ-CD1 3.19Å; F152-I191 HydrophobicContact CZ-CG1 4.3Å; M180-I191 HydrophobicContact CB-CG2 4.09Å; M180-I191 HydrophobicContact SD-CG2 4.48Å; T181-I191 CarbonylContact O-C 3.57Å; T181-I191 WeakPolarHBondContact O-CA 3.27Å; F182-I191 HydrophobicContact CD1-CG1 3.67Å; F182-I191 HydrophobicContact CE1-CD1 4.07Å; F182-I191 HydrophobicContact CE1-CG1 3.43Å; F182-I191 VanDerWaalsContact CE1-CG1 3.43Å; F182-I191 HydrophobicContact CZ-CG1 4.25Å; I191-M193 HydrophobicContact CB-CE 4.34Å; I191-M193 HydrophobicContact CD1-CE 4.12Å; I191-M193 HydrophobicContact CG2-CE 3.92Å; I191-M193 HydrophobicContact CG2-CG 3.82Å; I191-T205 CarbonylContact O-C 3.53Å; I191-T205 WeakPolarHBondContact O-CA 3.37Å; I191-H206 PolarHBondContact N-O 2.84Å; I191-H206 PolarHBondContact O-N 2.9Å; I191-V208 HydrophobicContact CD1-CG2 3.46Å; I191-V208 VanDerWaalsContact CD1-CG2 3.46Å; I191-V208 HydrophobicContact CG1-CG2 4.15Å; I191-L215 HydrophobicContact CD1-CD2 4.5Å |
| 192 | A | 93.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 123.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | M180 T181 L183 I203 T205 I232 | M180-A192 CarbonylContact C-O 3.53Å; M180-A192 VanDerWaalsContact CA-O 3.26Å; M180-A192 WeakPolarHBondContact CA-O 3.12Å; T181-A192 HydrophobicContact CG2-CB 4.18Å; T181-A192 PolarHBondContact N-O 3.09Å; T181-A192 PolarHBondContact O-N 3.35Å; L183-A192 HydrophobicContact CD1-CB 4.34Å; L183-A192 HydrophobicContact CD2-CB 3.96Å; L183-A192 HydrophobicContact CG-CB 4.12Å; A192-I203 HydrophobicContact CB-CG2 4.45Å; A192-T205 HydrophobicContact CB-CG2 4.09Å; A192-I232 HydrophobicContact CB-CD1 3.85Å |
| 193 | M | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 123.5 | 179.5 | -63.3 | -174.5 | -176.6 | 0 | 0 | 109.8 | F152 I172 I177 M180 I191 I203 Q204 | F152-M193 HydrophobicContact CD2-CE 4.16Å; F152-M193 HydrophobicContact CG-CE 4.4Å; I172-M193 HydrophobicContact CD1-CE 4.44Å; I172-M193 HydrophobicContact CG2-SD 4.48Å; I177-M193 HydrophobicContact CD1-SD 4.49Å; M180-M193 HydrophobicContact CB-CG 4.16Å; I191-M193 HydrophobicContact CB-CE 4.34Å; I191-M193 HydrophobicContact CD1-CE 4.12Å; I191-M193 HydrophobicContact CG2-CE 3.92Å; I191-M193 HydrophobicContact CG2-CG 3.82Å; M193-I203 WeakPolarHBondContact O-CA 3.42Å; M193-Q204 PolarHBondContact N-O 3.25Å; M193-Q204 PolarHBondContact O-N 2.82Å |
| 194 | L | 90.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 115.1 | 165.9 | 177.4 | 62.9 | 0 | 0 | 0 | 107.5 | V178 D179 R201 I203 V225 A229 I232 | V178-L194 HydrophobicContact CB-CD2 4.13Å; V178-L194 HydrophobicContact CB-CG 4.02Å; V178-L194 WeakPolarHBondContact CB-O 3.22Å; V178-L194 HydrophobicContact CG1-CD2 4.02Å; V178-L194 HydrophobicContact CG1-CG 4.44Å; V178-L194 PolarHBondContact N-O 3.19Å; D179-L194 PolarHBondContact N-O 3.38Å; D179-L194 PolarHBondContact O-N 2.82Å; L194-R201 HydrophobicContact CD1-CB 4.33Å; L194-I203 HydrophobicContact CD1-CG1 3.93Å; L194-V225 HydrophobicContact CD1-CG1 4.41Å; L194-A229 HydrophobicContact CD1-CB 4.33Å; L194-A229 HydrophobicContact CD2-CB 4.32Å; L194-A229 WeakPolarHBondContact CD2-O 3.5Å; L194-I232 HydrophobicContact CB-CB 4.35Å; L194-I232 HydrophobicContact CB-CD1 4.38Å; L194-I232 HydrophobicContact CB-CG2 4.33Å |
| 195 | H | 88.6 | Confident | 89.7 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 3% | 0.032 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 158.1 | -178.5 | 74.3 | 91.5 | 0 | 0 | 0 | 111.5 | E174 S176 R201 R202 | E174-H195 HydrophobicContact CB-CB 4.04Å; E174-H195 HydrophobicContact CG-CB 4.32Å; S176-H195 CarbonylContact O-C 3.53Å; S176-H195 WeakPolarHBondContact O-CA 3.31Å; S176-H195 WeakPolarHBondContact O-CB 3.4Å; H195-R201 WeakPolarHBondContact O-CA 3.43Å; H195-R202 PolarHBondContact N-O 2.83Å; H195-R202 PolarHBondContact O-N 2.9Å |
| 196 | C | 86.3 | Confident | 90.1 | Very high | 42 Ų | 42 | 43.5 Ų | 43.5 | 28% | 0.284 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130.1 | 175 | -167.8 | 0 | 0 | 0 | 0 | 109.4 | S176 V178 R201 | S176-C196 PolarHBondContact O-N 2.96Å; V178-C196 HydrophobicContact CG2-CB 4.38Å; C196-R201 HydrophobicContact CB-CG 4.35Å |
| 197 | D | 84 | Confident | 90.3 | Very high | 31 Ų | 31 | 41.6 Ų | 41.6 | 17% | 0.166 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | -178 | 170.3 | 72.3 | 14.3 | 0 | 0 | 0 | 110.7 | F199 G200 R202 | D197-F199 PolarHBondContact O-N 2.98Å; D197-F199 VanDerWaalsContact OD1-CA 3.3Å; D197-F199 WeakPolarHBondContact OD1-CA 3.36Å; D197-F199 VanDerWaalsContact OD1-CB 3.28Å; D197-F199 WeakPolarHBondContact OD1-CB 3.36Å; D197-F199 PolarHBondContact OD1-N 3.25Å; D197-G200 PolarHBondContact N-O 3.31Å; D197-G200 PolarHBondContact O-N 2.94Å; D197-G200 VanDerWaalsContact O-N 3.08Å; D197-G200 PolarHBondContact OD1-N 2.73Å; D197-G200 VanDerWaalsContact OD1-N 3.16Å; D197-R202 IonicContact OD1-CZ 3.7Å; D197-R202 IonicContact OD1-NE 4Å; D197-R202 IonicContact OD2-CZ 2.85Å; D197-R202 IonicContact OD2-NE 3.5Å; D197-R202 IonicContact OD2-NH1 3.21Å; D197-R202 PolarHBondContact OD2-NH1 2.81Å; D197-R202 IonicContact OD2-NH2 2.92Å |
| 198 | N | 82.8 | Confident | 90.4 | Very high | 155 Ų | 155 | 32.9 Ų | 32.9 | 83% | 0.829 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -12.3 | 179 | -66.9 | -42.7 | 0 | 0 | 0 | 114.5 | ||
| 199 | F | 82.6 | Confident | 90.3 | Very high | 170 Ų | 170 | 29.8 Ų | 29.8 | 75% | 0.746 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105 | -3.4 | 179.9 | -54.5 | -79.1 | 0 | 0 | 0 | 113.2 | D197 R202 | D197-F199 PolarHBondContact O-N 2.98Å; D197-F199 VanDerWaalsContact OD1-CA 3.3Å; D197-F199 WeakPolarHBondContact OD1-CA 3.36Å; D197-F199 VanDerWaalsContact OD1-CB 3.28Å; D197-F199 WeakPolarHBondContact OD1-CB 3.36Å; D197-F199 PolarHBondContact OD1-N 3.25Å; F199-R202 VanDerWaalsContact CD2-NH2 3.33Å |
| 200 | G | 85.3 | Confident | 89.8 | Confident | 8 Ų | 8 | 32 Ų | 32 | 8% | 0.082 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 123.1 | -161.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D197 | D197-G200 PolarHBondContact N-O 3.31Å; D197-G200 PolarHBondContact O-N 2.94Å; D197-G200 VanDerWaalsContact O-N 3.08Å; D197-G200 PolarHBondContact OD1-N 2.73Å; D197-G200 VanDerWaalsContact OD1-N 3.16Å |
| 201 | R | 88.1 | Confident | 89.4 | Confident | 40 Ų | 40 | 39 Ų | 39 | 15% | 0.151 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 139.8 | 177.8 | -63.4 | -164 | -162.3 | -160.7 | 11.8 | 111.6 | L194 H195 C196 V225 L227 E228 A229 | L194-R201 HydrophobicContact CD1-CB 4.33Å; H195-R201 WeakPolarHBondContact O-CA 3.43Å; C196-R201 HydrophobicContact CB-CG 4.35Å; R201-V225 HydrophobicContact CB-CB 4.38Å; R201-V225 PolarHBondContact O-N 3.26Å; R201-L227 WeakPolarHBondContact CD-O 3.39Å; R201-L227 VanDerWaalsContact CZ-O 3.27Å; R201-L227 PolarHBondContact NE-O 2.73Å; R201-L227 PolarHBondContact NH2-O 2.79Å; R201-L227 VanDerWaalsContact NH2-O 3.13Å; R201-E228 IonicContact NH2-OE2 3.12Å; R201-A229 WeakPolarHBondContact CD-O 3.27Å; R201-A229 VanDerWaalsContact NH1-C 3.31Å; R201-A229 PolarHBondContact NH1-O 3.36Å |
| 202 | R | 90.8 | Very high | 88.8 | Confident | 67 Ų | 67 | 44.5 Ų | 44.5 | 25% | 0.253 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 156.1 | 179.7 | -62.1 | -177.9 | 179.7 | 162.1 | 2 | 110.5 | H195 D197 F199 D223 | H195-R202 PolarHBondContact N-O 2.83Å; H195-R202 PolarHBondContact O-N 2.9Å; D197-R202 IonicContact OD1-CZ 3.7Å; D197-R202 IonicContact OD1-NE 4Å; D197-R202 IonicContact OD2-CZ 2.85Å; D197-R202 IonicContact OD2-NE 3.5Å; D197-R202 IonicContact OD2-NH1 3.21Å; D197-R202 PolarHBondContact OD2-NH1 2.81Å; D197-R202 IonicContact OD2-NH2 2.92Å; F199-R202 VanDerWaalsContact CD2-NH2 3.33Å; R202-D223 WeakPolarHBondContact CD-OD1 3.38Å; R202-D223 IonicContact NE-OD1 3.66Å |
| 203 | I | 91.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123.9 | 171.4 | -61.2 | 156.7 | 0 | 0 | 0 | 108.4 | A192 M193 L194 W220 K221 K222 V225 I232 V244 L253 | A192-I203 HydrophobicContact CB-CG2 4.45Å; M193-I203 WeakPolarHBondContact O-CA 3.42Å; L194-I203 HydrophobicContact CD1-CG1 3.93Å; I203-W220 HydrophobicContact CB-CZ3 4.43Å; I203-W220 HydrophobicContact CG2-CH2 3.88Å; I203-W220 HydrophobicContact CG2-CZ3 3.76Å; I203-K221 WeakPolarHBondContact O-CA 3.18Å; I203-K222 HydrophobicContact CB-CB 4.27Å; I203-K222 PolarHBondContact N-O 3.18Å; I203-K222 PolarHBondContact O-N 2.76Å; I203-V225 HydrophobicContact CD1-CG2 3.76Å; I203-V225 HydrophobicContact CG1-CG2 3.95Å; I203-I232 HydrophobicContact CD1-CD1 4.46Å; I203-I232 HydrophobicContact CG1-CD1 4.26Å; I203-I232 HydrophobicContact CG2-CD1 3.99Å; I203-V244 HydrophobicContact CD1-CB 4.49Å; I203-V244 HydrophobicContact CD1-CG2 3.68Å; I203-L253 HydrophobicContact CD1-CD1 3.51Å |
| 204 | Q | 91.6 | Very high | 88 | Confident | 41 Ų | 41 | 57.2 Ų | 57.2 | 19% | 0.192 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 134.5 | 175 | -170.9 | 151.8 | -17.3 | 0 | 0 | 109.3 | E174 M193 | E174-Q204 VanDerWaalsContact OE1-CD 3.29Å; E174-Q204 PolarHBondContact OE1-OE1 3.01Å; M193-Q204 PolarHBondContact N-O 3.25Å; M193-Q204 PolarHBondContact O-N 2.82Å |
| 205 | T | 94.3 | Very high | 87.9 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 146.1 | 174.1 | 64.7 | 0 | 0 | 0 | 0 | 110.5 | L183 I191 A192 G218 P219 W220 | L183-T205 HydrophobicContact CD1-CG2 3.89Å; I191-T205 CarbonylContact O-C 3.53Å; I191-T205 WeakPolarHBondContact O-CA 3.37Å; A192-T205 HydrophobicContact CB-CG2 4.09Å; T205-G218 VanDerWaalsContact O-CA 3.29Å; T205-G218 WeakPolarHBondContact O-CA 3.5Å; T205-G218 PolarHBondContact O-N 3.06Å; T205-G218 VanDerWaalsContact OG1-C 3.22Å; T205-G218 VanDerWaalsContact OG1-CA 3.29Å; T205-G218 WeakPolarHBondContact OG1-CA 3.36Å; T205-P219 VanDerWaalsContact OG1-CD 3.28Å; T205-P219 WeakPolarHBondContact OG1-CD 3.46Å; T205-W220 WeakPolarHBondContact CB-O 3.46Å; T205-W220 HydrophobicContact CG2-CD2 3.82Å; T205-W220 HydrophobicContact CG2-CE3 4.29Å; T205-W220 HydrophobicContact CG2-CG 4.25Å; T205-W220 HydrophobicContact CG2-CH2 4.31Å; T205-W220 HydrophobicContact CG2-CZ2 3.85Å; T205-W220 WeakPolarHBondContact CG2-O 3.35Å; T205-W220 PolarHBondContact N-O 2.76Å; T205-W220 PolarHBondContact OG1-N 3.17Å; T205-W220 PolarHBondContact OG1-O 3.21Å |
| 206 | H | 94.1 | Very high | 88.1 | Confident | 8 Ų | 8 | 61.2 Ų | 61.2 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 138.1 | 179.2 | -71.1 | -71.6 | 0 | 0 | 0 | 110.8 | E174 T190 I191 L215 Q216 | E174-H206 IonicContact OE1-CD2 3.98Å; E174-H206 IonicContact OE1-CE1 2.77Å; E174-H206 PolarHBondContact OE1-CE1 3.01Å; E174-H206 IonicContact OE1-NE2 3.9Å; E174-H206 PolarHBondContact OE1-NE2 3.27Å; E174-H206 IonicContact OE2-NE2 3.39Å; T190-H206 CarbonylContact C-O 3.59Å; T190-H206 WeakPolarHBondContact CA-O 3.3Å; I191-H206 PolarHBondContact N-O 2.84Å; I191-H206 PolarHBondContact O-N 2.9Å; H206-L215 HydrophobicContact CB-CB 4.38Å; H206-L215 HydrophobicContact CB-CD2 4.11Å; H206-Q216 CarbonylContact C-O 3.57Å; H206-Q216 VanDerWaalsContact CA-O 3.26Å; H206-Q216 WeakPolarHBondContact CA-O 3.43Å |
| 207 | V | 94.5 | Very high | 88.3 | Confident | 25 Ų | 25 | 66.4 Ų | 66.4 | 15% | 0.152 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 126.8 | 170.3 | 177.5 | 0 | 0 | 0 | 0 | 108.6 | K188 T190 D209 Q216 | K188-V207 HydrophobicContact CB-CG1 3.71Å; K188-V207 HydrophobicContact CD-CG1 3.86Å; K188-V207 HydrophobicContact CG-CG1 4.43Å; T190-V207 HydrophobicContact CG2-CG2 4.14Å; V207-D209 PolarHBondContact O-N 3.28Å; V207-Q216 HydrophobicContact CB-CB 4.46Å; V207-Q216 PolarHBondContact N-O 3.2Å; V207-Q216 PolarHBondContact O-N 2.85Å |
| 208 | V | 92.9 | Very high | 88.5 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 107.3 | 177.8 | -171.1 | 0 | 0 | 0 | 0 | 109.3 | F152 L154 F170 P189 I191 L215 | F152-V208 HydrophobicContact CE1-CG2 4.04Å; L154-V208 HydrophobicContact CD1-CG1 4.3Å; L154-V208 HydrophobicContact CD2-CG1 3.97Å; F170-V208 HydrophobicContact CE1-CG1 4.2Å; F170-V208 HydrophobicContact CE2-CG1 4Å; F170-V208 HydrophobicContact CZ-CG1 3.75Å; P189-V208 HydrophobicContact CB-CB 4.21Å; P189-V208 HydrophobicContact CB-CG2 4.3Å; P189-V208 WeakPolarHBondContact O-CG2 3.11Å; P189-V208 PolarHBondContact O-N 3.18Å; I191-V208 HydrophobicContact CD1-CG2 3.46Å; I191-V208 VanDerWaalsContact CD1-CG2 3.46Å; I191-V208 HydrophobicContact CG1-CG2 4.15Å; V208-L215 HydrophobicContact CG2-CD2 3.86Å |
| 209 | D | 88 | Confident | 88.8 | Confident | 12 Ų | 12 | 61.6 Ų | 61.6 | 6% | 0.064 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 99.1 | 173.3 | -162.5 | -25.9 | 0 | 0 | 0 | 111.3 | K188 V207 N211 Q212 Q213 Q216 | K188-D209 IonicContact NZ-OD1 2.71Å; K188-D209 IonicContact NZ-OD2 3.7Å; K188-D209 PolarHBondContact NZ-OD2 3.04Å; V207-D209 PolarHBondContact O-N 3.28Å; D209-N211 PolarHBondContact O-N 2.89Å; D209-N211 WeakPolarHBondContact OD1-CB 3.4Å; D209-N211 PolarHBondContact OD1-N 3.29Å; D209-N211 PolarHBondContact OD1-ND2 3.02Å; D209-Q212 HydrophobicContact CB-CB 4.47Å; D209-Q212 PolarHBondContact O-N 2.92Å; D209-Q213 PolarHBondContact O-N 2.75Å; D209-Q216 HydrophobicContact CB-CG 4.45Å; D209-Q216 PolarHBondContact OD2-NE2 2.85Å |
| 210 | E | 85.1 | Confident | 89.3 | Confident | 59 Ų | 59 | 55.6 Ų | 55.6 | 28% | 0.276 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -25.4 | 179.3 | -70.8 | 176.8 | 90.1 | 0 | 0 | 114.1 | L154 K156 F170 Q212 Q213 | L154-E210 HydrophobicContact CD2-CG 3.81Å; K156-E210 VanDerWaalsContact CE-CD 3.42Å; K156-E210 WeakPolarHBondContact CE-OE1 3.43Å; K156-E210 WeakPolarHBondContact CE-OE2 3.33Å; K156-E210 IonicContact NZ-OE1 2.75Å; K156-E210 PolarHBondContact NZ-OE1 2.72Å; K156-E210 IonicContact NZ-OE2 2.74Å; K156-E210 PolarHBondContact NZ-OE2 2.71Å; F170-E210 HydrophobicContact CZ-CG 4.26Å; E210-Q212 VanDerWaalsContact C-N 3.32Å; E210-Q213 PolarHBondContact O-N 2.92Å |
| 211 | N | 85.7 | Confident | 89.5 | Confident | 149 Ų | 149 | 61.4 Ų | 61.4 | 80% | 0.797 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -34.1 | -179.8 | -60.5 | -55.9 | 0 | 0 | 0 | 111.2 | D209 | D209-N211 PolarHBondContact O-N 2.89Å; D209-N211 WeakPolarHBondContact OD1-CB 3.4Å; D209-N211 PolarHBondContact OD1-N 3.29Å; D209-N211 PolarHBondContact OD1-ND2 3.02Å |
| 212 | Q | 82 | Confident | 89.6 | Confident | 114 Ų | 114 | 63.1 Ų | 63.1 | 53% | 0.533 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -12.7 | 177.6 | -63 | -162.2 | -9.9 | 0 | 0 | 112.9 | D209 E210 E214 Q216 | D209-Q212 HydrophobicContact CB-CB 4.47Å; D209-Q212 PolarHBondContact O-N 2.92Å; E210-Q212 VanDerWaalsContact C-N 3.32Å; Q212-E214 PolarHBondContact O-N 2.82Å; Q212-Q216 VanDerWaalsContact CD-NE2 3.29Å |
| 213 | Q | 83.2 | Confident | 89.3 | Confident | 143 Ų | 143 | 64 Ų | 64 | 67% | 0.668 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 30 | -175 | -57 | -162.7 | -43.9 | 0 | 0 | 113.3 | D209 E210 | D209-Q213 PolarHBondContact O-N 2.75Å; E210-Q213 PolarHBondContact O-N 2.92Å |
| 214 | E | 85.9 | Confident | 88.7 | Confident | 125 Ų | 125 | 67.2 Ų | 67.2 | 58% | 0.584 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 151.7 | -178.3 | -70.6 | -178.9 | -179.1 | 0 | 0 | 110.3 | Q212 | Q212-E214 PolarHBondContact O-N 2.82Å |
| 215 | L | 88.7 | Confident | 88.3 | Confident | 28 Ų | 28 | 66 Ų | 66 | 15% | 0.147 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 113.9 | 167.5 | -74.1 | 165.1 | 0 | 0 | 0 | 107.8 | F152 F170 I172 I191 H206 V208 | F152-L215 HydrophobicContact CB-CD1 4.03Å; F152-L215 HydrophobicContact CD1-CD2 4.24Å; F170-L215 HydrophobicContact CB-CD1 3.96Å; F170-L215 HydrophobicContact CB-CG 3.87Å; F170-L215 HydrophobicContact CG-CG 4.34Å; I172-L215 HydrophobicContact CG1-CD1 3.97Å; I191-L215 HydrophobicContact CD1-CD2 4.5Å; H206-L215 HydrophobicContact CB-CB 4.38Å; H206-L215 HydrophobicContact CB-CD2 4.11Å; V208-L215 HydrophobicContact CG2-CD2 3.86Å |
| 216 | Q | 91.7 | Very high | 87.7 | Confident | 62 Ų | 62 | 69.1 Ų | 69.1 | 29% | 0.29 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 147.8 | 176.8 | -69.5 | 175.9 | 4.3 | 0 | 0 | 110.1 | H206 V207 D209 Q212 G218 | H206-Q216 CarbonylContact C-O 3.57Å; H206-Q216 VanDerWaalsContact CA-O 3.26Å; H206-Q216 WeakPolarHBondContact CA-O 3.43Å; V207-Q216 HydrophobicContact CB-CB 4.46Å; V207-Q216 PolarHBondContact N-O 3.2Å; V207-Q216 PolarHBondContact O-N 2.85Å; D209-Q216 HydrophobicContact CB-CG 4.45Å; D209-Q216 PolarHBondContact OD2-NE2 2.85Å; Q212-Q216 VanDerWaalsContact CD-NE2 3.29Å; Q216-G218 PolarHBondContact O-N 3.17Å |
| 217 | E | 90.8 | Very high | 87 | Confident | 151 Ų | 151 | 74.3 Ų | 74.3 | 71% | 0.706 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 131.6 | 172.9 | -78.9 | -170.6 | 152.7 | 0 | 0 | 110.7 | ||
| 218 | G | 89.3 | Confident | 86.3 | Confident | 22 Ų | 22 | 76.8 Ų | 76.8 | 23% | 0.227 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -176.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | T205 Q216 W220 | T205-G218 VanDerWaalsContact O-CA 3.29Å; T205-G218 WeakPolarHBondContact O-CA 3.5Å; T205-G218 PolarHBondContact O-N 3.06Å; T205-G218 VanDerWaalsContact OG1-C 3.22Å; T205-G218 VanDerWaalsContact OG1-CA 3.29Å; T205-G218 WeakPolarHBondContact OG1-CA 3.36Å; Q216-G218 PolarHBondContact O-N 3.17Å; G218-W220 VanDerWaalsContact C-N 3.28Å; G218-W220 PolarHBondContact O-N 2.87Å |
| 219 | P | 89.1 | Confident | 85.9 | Confident | 63 Ų | 63 | 76.6 Ų | 76.6 | 41% | 0.409 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | -28.2 | -170.6 | 23.7 | -35.2 | 0 | 0 | 0 | 114.4 | Y186 T190 T205 | Y186-P219 HydrophobicContact CE1-CB 4.12Å; Y186-P219 HydrophobicContact CE1-CG 3.72Å; Y186-P219 VanDerWaalsContact OH-CG 3.29Å; Y186-P219 WeakPolarHBondContact OH-CG 3.38Å; T190-P219 HydrophobicContact CG2-CG 4.35Å; T205-P219 VanDerWaalsContact OG1-CD 3.28Å; T205-P219 WeakPolarHBondContact OG1-CD 3.46Å |
| 220 | W | 91.6 | Very high | 85.7 | Confident | 45 Ų | 45 | 78.5 Ų | 78.5 | 17% | 0.17 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 165.5 | -178.3 | 58.9 | -86.9 | 0 | 0 | 0 | 113.1 | L183 I203 T205 G218 K222 V242 L253 E255 | L183-W220 HydrophobicContact CD1-CZ2 4.28Å; I203-W220 HydrophobicContact CB-CZ3 4.43Å; I203-W220 HydrophobicContact CG2-CH2 3.88Å; I203-W220 HydrophobicContact CG2-CZ3 3.76Å; T205-W220 WeakPolarHBondContact CB-O 3.46Å; T205-W220 HydrophobicContact CG2-CD2 3.82Å; T205-W220 HydrophobicContact CG2-CE3 4.29Å; T205-W220 HydrophobicContact CG2-CG 4.25Å; T205-W220 HydrophobicContact CG2-CH2 4.31Å; T205-W220 HydrophobicContact CG2-CZ2 3.85Å; T205-W220 WeakPolarHBondContact CG2-O 3.35Å; T205-W220 PolarHBondContact N-O 2.76Å; T205-W220 PolarHBondContact OG1-N 3.17Å; T205-W220 PolarHBondContact OG1-O 3.21Å; G218-W220 VanDerWaalsContact C-N 3.28Å; G218-W220 PolarHBondContact O-N 2.87Å; W220-K222 HydrophobicContact CZ3-CB 4.21Å; W220-V242 HydrophobicContact CH2-CB 4.43Å; W220-V242 HydrophobicContact CH2-CG2 4.01Å; W220-V242 HydrophobicContact CZ2-CG2 3.83Å; W220-L253 HydrophobicContact CZ3-CD1 4.41Å; W220-E255 HydrophobicContact CG-CG 3.94Å; W220-E255 PolarHBondContact NE1-OE1 2.64Å |
| 221 | K | 90.4 | Very high | 85.8 | Confident | 129 Ų | 129 | 76.6 Ų | 76.6 | 56% | 0.561 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 155 | 171.7 | 66.4 | 180 | -176.4 | -179.2 | 0 | 110.3 | I203 | I203-K221 WeakPolarHBondContact O-CA 3.18Å |
| 222 | K | 89.1 | Confident | 85.9 | Confident | 77 Ų | 77 | 69.8 Ų | 69.8 | 34% | 0.335 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 106.9 | 176.4 | -179.9 | 64.6 | 175.9 | 179.4 | 0 | 109.9 | I203 W220 V225 L253 | I203-K222 HydrophobicContact CB-CB 4.27Å; I203-K222 PolarHBondContact N-O 3.18Å; I203-K222 PolarHBondContact O-N 2.76Å; W220-K222 HydrophobicContact CZ3-CB 4.21Å; K222-V225 HydrophobicContact CG-CG2 4.07Å; K222-L253 HydrophobicContact CB-CD1 4.31Å; K222-L253 HydrophobicContact CD-CD2 4.4Å; K222-L253 HydrophobicContact CG-CD1 4.05Å; K222-L253 HydrophobicContact CG-CD2 4.4Å |
| 223 | D | 85.3 | Confident | 86.2 | Confident | 85 Ų | 85 | 66.1 Ų | 66.1 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 150.4 | 168.1 | -61.7 | -48.2 | 0 | 0 | 0 | 110.4 | R202 | R202-D223 WeakPolarHBondContact CD-OD1 3.38Å; R202-D223 IonicContact NE-OD1 3.66Å |
| 224 | G | 78.6 | Confident | 86.5 | Confident | 69 Ų | 69 | 60 Ų | 60 | 71% | 0.711 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 76.2 | 42.7 | 173 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 225 | V | 84.7 | Confident | 86.6 | Confident | 14 Ų | 14 | 54 Ų | 54 | 9% | 0.085 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 150.8 | 165.6 | -174.8 | 0 | 0 | 0 | 0 | 108.2 | L194 R201 I203 K222 L227 A229 V244 | L194-V225 HydrophobicContact CD1-CG1 4.41Å; R201-V225 HydrophobicContact CB-CB 4.38Å; R201-V225 PolarHBondContact O-N 3.26Å; I203-V225 HydrophobicContact CD1-CG2 3.76Å; I203-V225 HydrophobicContact CG1-CG2 3.95Å; K222-V225 HydrophobicContact CG-CG2 4.07Å; V225-L227 PolarHBondContact O-N 2.9Å; V225-A229 HydrophobicContact CG1-CB 3.43Å; V225-A229 VanDerWaalsContact CG1-CB 3.43Å; V225-V244 HydrophobicContact CG1-CG1 4.3Å |
| 226 | E | 81.2 | Confident | 86.3 | Confident | 69 Ų | 69 | 54.7 Ų | 54.7 | 32% | 0.322 | 30% | 0.3 | S | S | . | . | trans | -54.2 | 139.9 | 175.8 | -77.5 | -179.1 | -169.5 | 0 | 0 | 111.5 | E228 A229 S246 S249 | E226-E228 PolarHBondContact O-N 2.75Å; E226-A229 WeakPolarHBondContact O-CB 3.41Å; E226-A229 PolarHBondContact O-N 3.04Å; E226-S246 VanDerWaalsContact CB-OG 3.24Å; E226-S246 WeakPolarHBondContact CB-OG 3.5Å; E226-S246 WeakPolarHBondContact OE2-CB 3.34Å; E226-S246 PolarHBondContact OE2-OG 3Å; E226-S249 WeakPolarHBondContact OE1-CB 3.36Å; E226-S249 PolarHBondContact OE1-OG 3.36Å; E226-S249 PolarHBondContact OE2-OG 2.98Å; E226-S249 VanDerWaalsContact OE2-OG 3.09Å | ||
| 227 | L | 79.6 | Confident | 85.8 | Confident | 116 Ų | 116 | 55.3 Ų | 55.3 | 61% | 0.607 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -15.6 | -179.3 | -81.9 | 154.4 | 0 | 0 | 0 | 113.8 | R201 V225 | R201-L227 WeakPolarHBondContact CD-O 3.39Å; R201-L227 VanDerWaalsContact CZ-O 3.27Å; R201-L227 PolarHBondContact NE-O 2.73Å; R201-L227 PolarHBondContact NH2-O 2.79Å; R201-L227 VanDerWaalsContact NH2-O 3.13Å; V225-L227 PolarHBondContact O-N 2.9Å |
| 228 | E | 79.5 | Confident | 85.3 | Confident | 77 Ų | 77 | 51.5 Ų | 51.5 | 36% | 0.36 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 13 | -176.5 | -59.3 | -58.6 | 151.3 | 0 | 0 | 112.8 | R201 E226 V230 T247 | R201-E228 IonicContact NH2-OE2 3.12Å; E226-E228 PolarHBondContact O-N 2.75Å; E228-V230 VanDerWaalsContact O-CG2 3.24Å; E228-V230 WeakPolarHBondContact O-CG2 3.38Å; E228-V230 PolarHBondContact O-N 2.84Å; E228-V230 VanDerWaalsContact O-N 3.16Å; E228-T247 HydrophobicContact CB-CG2 3.67Å; E228-T247 WeakPolarHBondContact CB-OG1 2.97Å; E228-T247 HydrophobicContact CG-CG2 4.46Å |
| 229 | A | 84.7 | Confident | 85 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 110.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L194 R201 V225 E226 V244 L245 S246 | L194-A229 HydrophobicContact CD1-CB 4.33Å; L194-A229 HydrophobicContact CD2-CB 4.32Å; L194-A229 WeakPolarHBondContact CD2-O 3.5Å; R201-A229 WeakPolarHBondContact CD-O 3.27Å; R201-A229 VanDerWaalsContact NH1-C 3.31Å; R201-A229 PolarHBondContact NH1-O 3.36Å; V225-A229 HydrophobicContact CG1-CB 3.43Å; V225-A229 VanDerWaalsContact CG1-CB 3.43Å; E226-A229 WeakPolarHBondContact O-CB 3.41Å; E226-A229 PolarHBondContact O-N 3.04Å; A229-V244 HydrophobicContact CB-CG1 3.77Å; A229-L245 CarbonylContact C-O 3.5Å; A229-L245 WeakPolarHBondContact CA-O 3.33Å; A229-S246 PolarHBondContact N-OG 3.01Å |
| 230 | V | 83.4 | Confident | 84.9 | Confident | 51 Ų | 51 | 50.5 Ų | 50.5 | 31% | 0.309 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -30.6 | -164.8 | -137.4 | 0 | 0 | 0 | 0 | 114.4 | V178 E228 L245 T247 | V178-V230 WeakPolarHBondContact CG1-O 3.38Å; E228-V230 VanDerWaalsContact O-CG2 3.24Å; E228-V230 WeakPolarHBondContact O-CG2 3.38Å; E228-V230 PolarHBondContact O-N 2.84Å; E228-V230 VanDerWaalsContact O-N 3.16Å; V230-L245 PolarHBondContact N-O 2.78Å; V230-T247 HydrophobicContact CG2-CG2 4.45Å |
| 231 | S | 86.4 | Confident | 84.8 | Confident | 19 Ų | 19 | 48.9 Ų | 48.9 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 152.3 | -173.4 | -177.2 | 0 | 0 | 0 | 0 | 113 | D179 L245 | D179-S231 VanDerWaalsContact OD2-CA 3.23Å; D179-S231 WeakPolarHBondContact OD2-CA 3.05Å; D179-S231 WeakPolarHBondContact OD2-CB 2.99Å; D179-S231 PolarHBondContact OD2-OG 2.87Å; S231-L245 PolarHBondContact O-N 3.33Å |
| 232 | I | 88.9 | Confident | 84.8 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 120.5 | -178 | -166.4 | 171.8 | 0 | 0 | 0 | 110.5 | D179 T181 A192 L194 I203 V242 V244 | D179-I232 HydrophobicContact CB-CG2 3.79Å; D179-I232 PolarHBondContact OD2-N 3.12Å; T181-I232 HydrophobicContact CG2-CD1 4.49Å; T181-I232 HydrophobicContact CG2-CG1 4.13Å; T181-I232 HydrophobicContact CG2-CG2 4.2Å; A192-I232 HydrophobicContact CB-CD1 3.85Å; L194-I232 HydrophobicContact CB-CB 4.35Å; L194-I232 HydrophobicContact CB-CD1 4.38Å; L194-I232 HydrophobicContact CB-CG2 4.33Å; I203-I232 HydrophobicContact CD1-CD1 4.46Å; I203-I232 HydrophobicContact CG1-CD1 4.26Å; I203-I232 HydrophobicContact CG2-CD1 3.99Å; I232-V242 HydrophobicContact CB-CG1 4.49Å; I232-V242 HydrophobicContact CD1-CG1 3.68Å; I232-V242 HydrophobicContact CG1-CG1 3.13Å; I232-V244 HydrophobicContact CB-CG2 4.33Å; I232-V244 HydrophobicContact CD1-CG2 4.38Å; I232-V244 HydrophobicContact CG1-CG2 3.85Å |
| 233 | L | 88 | Confident | 84.9 | Confident | 37 Ų | 37 | 39.1 Ų | 39.1 | 19% | 0.194 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 126.8 | 176.7 | 177.5 | 72.4 | 0 | 0 | 0 | 110.7 | I235 V242 L243 V276 Y285 | L233-I235 HydrophobicContact CD2-CD1 4.15Å; L233-V242 CarbonylContact O-C 3.56Å; L233-V242 VanDerWaalsContact O-CA 3.26Å; L233-V242 WeakPolarHBondContact O-CA 3.42Å; L233-L243 HydrophobicContact CB-CB 4.36Å; L233-L243 PolarHBondContact N-O 2.82Å; L233-L243 PolarHBondContact O-N 3.48Å; L233-V276 HydrophobicContact CB-CB 4.28Å; L233-V276 HydrophobicContact CD2-CB 3.53Å; L233-V276 HydrophobicContact CD2-CG1 3.45Å; L233-V276 VanDerWaalsContact CD2-CG1 3.45Å; L233-V276 HydrophobicContact CG-CB 4.39Å; L233-Y285 HydrophobicContact CD2-CD1 3.85Å; L233-Y285 HydrophobicContact CD2-CE1 4.02Å |
| 234 | A | 89.4 | Confident | 85.1 | Confident | 15 Ų | 15 | 35.1 Ų | 35.1 | 12% | 0.124 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 130.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T181 F182 L183 | T181-A234 HydrophobicContact CG2-CB 3.8Å; T181-A234 WeakPolarHBondContact OG1-CB 3.34Å; T181-A234 PolarHBondContact OG1-N 2.84Å; F182-A234 WeakPolarHBondContact O-CB 3.36Å; L183-A234 HydrophobicContact CD2-CB 4.46Å |
| 235 | I | 87.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -84.1 | 126.8 | 177.7 | -62.4 | -48.8 | 0 | 0 | 0 | 109.1 | P184 L233 E239 L240 G241 L243 Y252 Y285 L299 | P184-I235 WeakPolarHBondContact CG-O 3.46Å; L233-I235 HydrophobicContact CD2-CD1 4.15Å; I235-E239 HydrophobicContact CG2-CB 3.89Å; I235-L240 WeakPolarHBondContact O-CA 3.45Å; I235-G241 PolarHBondContact N-O 2.92Å; I235-L243 HydrophobicContact CD1-CB 3.98Å; I235-L243 HydrophobicContact CG1-CB 4.49Å; I235-Y252 HydrophobicContact CB-CE2 4.38Å; I235-Y252 HydrophobicContact CG1-CD2 4.13Å; I235-Y252 HydrophobicContact CG1-CE2 3.82Å; I235-Y285 HydrophobicContact CD1-CD1 4.23Å; I235-Y285 HydrophobicContact CD1-CE1 3.51Å; I235-Y285 HydrophobicContact CD1-CE2 4.32Å; I235-Y285 WeakPolarHBondContact CG2-OH 3.35Å; I235-L299 HydrophobicContact CG1-CD1 4.47Å; I235-L299 HydrophobicContact CG2-CD1 4.13Å |
| 236 | P | 82.7 | Confident | 85.4 | Confident | 41 Ų | 41 | 31.2 Ų | 31.2 | 27% | 0.266 | 18% | 0.179 | S | C | . | . | P | Polyproline II helix | trans | -66.4 | 166.3 | 179.5 | 27.5 | -34.2 | 0 | 0 | 0 | 111.9 | L240 | P236-L240 PolarHBondContact O-N 3.18Š|
| 237 | P | 80.8 | Confident | 85 | Confident | 76 Ų | 76 | 29 Ų | 29 | 49% | 0.494 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 147.6 | 171.1 | -20.2 | 32.4 | 0 | 0 | 0 | 111.7 | C185 L240 | C185-P237 VanDerWaalsContact SG-CG 3.59Å; P237-L240 HydrophobicContact CB-CD2 4.24Å; P237-L240 HydrophobicContact CG-CD2 3.94Å |
| 238 | P | 81.4 | Confident | 84.9 | Confident | 70 Ų | 70 | 26 Ų | 26 | 46% | 0.455 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -91.1 | -12.6 | 10.2 | 34.1 | -35 | 0 | 0 | 0 | 115.7 | D304 | P238-D304 HydrophobicContact CB-CB 4.46Š|
| 239 | E | 82.9 | Confident | 85.1 | Confident | 13 Ų | 13 | 22.5 Ų | 22.5 | 6% | 0.061 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -37.8 | -170.9 | -61.8 | 69 | -146.4 | 0 | 0 | 112.3 | I235 Y252 N254 R283 | I235-E239 HydrophobicContact CG2-CB 3.89Å; E239-Y252 PolarHBondContact O-OH 3.11Å; E239-N254 PolarHBondContact O-ND2 2.93Å; E239-R283 IonicContact OE1-CZ 3.16Å; E239-R283 IonicContact OE1-NE 2.93Å; E239-R283 PolarHBondContact OE1-NE 2.95Å; E239-R283 IonicContact OE1-NH2 3.08Å; E239-R283 PolarHBondContact OE1-NH2 2.75Å |
| 240 | L | 87.1 | Confident | 85.2 | Confident | 52 Ų | 52 | 22.5 Ų | 22.5 | 27% | 0.272 | 14% | 0.137 | S | C | . | . | trans | 57.7 | -179.6 | -175.9 | -53.3 | 174.7 | 0 | 0 | 0 | 113.1 | P184 C185 I235 P236 P237 Y252 N254 | P184-L240 HydrophobicContact CB-CD2 4.45Å; P184-L240 HydrophobicContact CG-CD2 3.88Å; C185-L240 HydrophobicContact CB-CD2 4.22Å; I235-L240 WeakPolarHBondContact O-CA 3.45Å; P236-L240 PolarHBondContact O-N 3.18Å; P237-L240 HydrophobicContact CB-CD2 4.24Å; P237-L240 HydrophobicContact CG-CD2 3.94Å; L240-Y252 WeakPolarHBondContact O-CE2 3.47Å; L240-Y252 PolarHBondContact O-OH 2.76Å; L240-N254 PolarHBondContact O-ND2 3.04Å | ||
| 241 | G | 88.7 | Confident | 85.5 | Confident | 11 Ų | 11 | 21.1 Ų | 21.1 | 11% | 0.113 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 90.6 | -159.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I235 L253 | I235-G241 PolarHBondContact N-O 2.92Å; G241-L253 CarbonylContact C-O 3.55Å; G241-L253 VanDerWaalsContact CA-O 3.23Å; G241-L253 WeakPolarHBondContact CA-O 3.38Å |
| 242 | V | 91.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 134.7 | -164.9 | -179.8 | 0 | 0 | 0 | 0 | 111.5 | L183 W220 I232 L233 V244 Y252 L253 | L183-V242 HydrophobicContact CD2-CG2 3.48Å; L183-V242 VanDerWaalsContact CD2-CG2 3.48Å; W220-V242 HydrophobicContact CH2-CB 4.43Å; W220-V242 HydrophobicContact CH2-CG2 4.01Å; W220-V242 HydrophobicContact CZ2-CG2 3.83Å; I232-V242 HydrophobicContact CB-CG1 4.49Å; I232-V242 HydrophobicContact CD1-CG1 3.68Å; I232-V242 HydrophobicContact CG1-CG1 3.13Å; L233-V242 CarbonylContact O-C 3.56Å; L233-V242 VanDerWaalsContact O-CA 3.26Å; L233-V242 WeakPolarHBondContact O-CA 3.42Å; V242-V244 HydrophobicContact CG1-CG2 3.89Å; V242-Y252 WeakPolarHBondContact O-CA 3.39Å; V242-L253 PolarHBondContact N-O 2.83Å; V242-L253 PolarHBondContact O-N 2.83Å |
| 243 | L | 90.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 115 | 170.9 | -163.6 | 69 | 0 | 0 | 0 | 111.3 | L233 I235 V250 I251 V276 V297 | L233-L243 HydrophobicContact CB-CB 4.36Å; L233-L243 PolarHBondContact N-O 2.82Å; L233-L243 PolarHBondContact O-N 3.48Å; I235-L243 HydrophobicContact CD1-CB 3.98Å; I235-L243 HydrophobicContact CG1-CB 4.49Å; L243-V250 HydrophobicContact CD1-CG1 3.69Å; L243-V250 HydrophobicContact CG-CG1 4.18Å; L243-I251 CarbonylContact C-O 3.48Å; L243-V276 HydrophobicContact CD2-CG1 3.99Å; L243-V276 HydrophobicContact CD2-CG2 4.03Å; L243-V297 HydrophobicContact CD1-CG1 4.48Å; L243-V297 HydrophobicContact CD2-CG1 4.45Å |
| 244 | V | 90.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 96.6 | 166.9 | -149.4 | 0 | 0 | 0 | 0 | 117.3 | I203 V225 A229 I232 V242 V250 I251 | I203-V244 HydrophobicContact CD1-CB 4.49Å; I203-V244 HydrophobicContact CD1-CG2 3.68Å; V225-V244 HydrophobicContact CG1-CG1 4.3Å; A229-V244 HydrophobicContact CB-CG1 3.77Å; I232-V244 HydrophobicContact CB-CG2 4.33Å; I232-V244 HydrophobicContact CD1-CG2 4.38Å; I232-V244 HydrophobicContact CG1-CG2 3.85Å; V242-V244 HydrophobicContact CG1-CG2 3.89Å; V244-V250 CarbonylContact O-C 3.54Å; V244-V250 WeakPolarHBondContact O-CA 3.15Å; V244-I251 WeakPolarHBondContact CA-O 3.26Å; V244-I251 PolarHBondContact N-O 2.8Å; V244-I251 PolarHBondContact O-N 2.84Å |
| 245 | L | 87.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 118.6 | 171.1 | -71.5 | -167.7 | 0 | 0 | 0 | 111.6 | A229 V230 S231 V250 Y272 V276 F287 | A229-L245 CarbonylContact C-O 3.5Å; A229-L245 WeakPolarHBondContact CA-O 3.33Å; V230-L245 PolarHBondContact N-O 2.78Å; S231-L245 PolarHBondContact O-N 3.33Å; L245-V250 HydrophobicContact CD2-CG1 4.08Å; L245-V250 HydrophobicContact CD2-CG2 3.97Å; L245-Y272 HydrophobicContact CB-CD2 3.97Å; L245-Y272 HydrophobicContact CB-CE2 4.42Å; L245-Y272 HydrophobicContact CD1-CD2 4.43Å; L245-V276 HydrophobicContact CD1-CG2 3.37Å; L245-V276 HydrophobicContact CD2-CG2 4.04Å; L245-V276 HydrophobicContact CG-CG2 3.72Å; L245-F287 HydrophobicContact CD1-CB 3.79Å; L245-F287 HydrophobicContact CD1-CD1 4.45Å; L245-F287 HydrophobicContact CD1-CD2 4.41Å; L245-F287 HydrophobicContact CD1-CG 3.99Å; L245-F287 HydrophobicContact CD2-CD1 3.85Å; L245-F287 HydrophobicContact CD2-CE1 4.03Å; L245-F287 HydrophobicContact CD2-CG 4.13Å; L245-F287 HydrophobicContact CD2-CZ 4.48Å |
| 246 | S | 81.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 149.5 | 174.6 | -173 | 0 | 0 | 0 | 0 | 111.7 | E226 A229 E248 S249 Y272 | E226-S246 VanDerWaalsContact CB-OG 3.24Å; E226-S246 WeakPolarHBondContact CB-OG 3.5Å; E226-S246 WeakPolarHBondContact OE2-CB 3.34Å; E226-S246 PolarHBondContact OE2-OG 3Å; A229-S246 PolarHBondContact N-OG 3.01Å; S246-E248 PolarHBondContact O-N 3.32Å; S246-S249 CarbonylContact C-O 3.6Å; S246-S249 WeakPolarHBondContact CA-O 2.84Å; S246-S249 WeakPolarHBondContact CB-O 3.29Å; S246-S249 PolarHBondContact N-O 3.06Å; S246-S249 CarbonylContact O-C 3.57Å; S246-S249 PolarHBondContact O-N 2.52Å; S246-Y272 VanDerWaalsContact C-CE2 3.47Å; S246-Y272 WeakPolarHBondContact O-CE2 3.22Å; S246-Y272 PolarHBondContact O-OH 2.96Å |
| 247 | T | 74 | Confident | 85.2 | Confident | 22 Ų | 22 | 29.5 Ų | 29.5 | 14% | 0.135 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -31 | -171.9 | 55.5 | 0 | 0 | 0 | 0 | 115.1 | E228 V230 P271 | E228-T247 HydrophobicContact CB-CG2 3.67Å; E228-T247 WeakPolarHBondContact CB-OG1 2.97Å; E228-T247 HydrophobicContact CG-CG2 4.46Å; V230-T247 HydrophobicContact CG2-CG2 4.45Å; T247-P271 HydrophobicContact CG2-CB 4.21Å |
| 248 | E | 75.8 | Confident | 85.4 | Confident | 55 Ų | 55 | 27.4 Ų | 27.4 | 26% | 0.257 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | -14.8 | 178.2 | -60.5 | -168 | 165.8 | 0 | 0 | 113.8 | S246 P264 L265 | S246-E248 PolarHBondContact O-N 3.32Å; E248-P264 HydrophobicContact CB-CB 4.4Å; E248-P264 CarbonylContact O-C 3.57Å; E248-P264 VanDerWaalsContact O-CA 3.25Å; E248-P264 WeakPolarHBondContact O-CA 3.44Å; E248-L265 PolarHBondContact O-N 2.75Å |
| 249 | S | 84.6 | Confident | 85.7 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.014 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 150.2 | -175 | 72.1 | 0 | 0 | 0 | 0 | 114.1 | E226 S246 V262 | E226-S249 WeakPolarHBondContact OE1-CB 3.36Å; E226-S249 PolarHBondContact OE1-OG 3.36Å; E226-S249 PolarHBondContact OE2-OG 2.98Å; E226-S249 VanDerWaalsContact OE2-OG 3.09Å; S246-S249 CarbonylContact C-O 3.6Å; S246-S249 WeakPolarHBondContact CA-O 2.84Å; S246-S249 WeakPolarHBondContact CB-O 3.29Å; S246-S249 PolarHBondContact N-O 3.06Å; S246-S249 CarbonylContact O-C 3.57Å; S246-S249 PolarHBondContact O-N 2.52Å; S249-V262 VanDerWaalsContact CA-O 3.27Å; S249-V262 WeakPolarHBondContact CA-O 3.42Å; S249-V262 WeakPolarHBondContact CB-O 3.4Å |
| 250 | V | 87.8 | Confident | 86 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 128.4 | 169.2 | -179.6 | 0 | 0 | 0 | 0 | 107.4 | L243 V244 L245 Y261 V262 L265 F287 V297 I309 V311 | L243-V250 HydrophobicContact CD1-CG1 3.69Å; L243-V250 HydrophobicContact CG-CG1 4.18Å; V244-V250 CarbonylContact O-C 3.54Å; V244-V250 WeakPolarHBondContact O-CA 3.15Å; L245-V250 HydrophobicContact CD2-CG1 4.08Å; L245-V250 HydrophobicContact CD2-CG2 3.97Å; V250-Y261 CarbonylContact O-C 3.5Å; V250-Y261 WeakPolarHBondContact O-CA 2.98Å; V250-Y261 WeakPolarHBondContact O-CB 3.13Å; V250-V262 PolarHBondContact N-O 2.89Å; V250-V262 PolarHBondContact O-N 2.76Å; V250-L265 HydrophobicContact CG2-CD1 4.31Å; V250-F287 HydrophobicContact CG2-CE1 3.83Å; V250-F287 HydrophobicContact CG2-CZ 3.78Å; V250-V297 HydrophobicContact CG1-CG1 4.36Å; V250-V297 HydrophobicContact CG1-CG2 4.21Å; V250-I309 HydrophobicContact CB-CD1 4.41Å; V250-I309 HydrophobicContact CG1-CD1 4.14Å; V250-I309 WeakPolarHBondContact O-CD1 3.45Å; V250-V311 HydrophobicContact CB-CG2 4.03Å; V250-V311 HydrophobicContact CG1-CG2 4.46Å; V250-V311 HydrophobicContact CG2-CG2 4.03Å |
| 251 | I | 89.6 | Confident | 86 | Confident | 22 Ų | 22 | 33.1 Ų | 33.1 | 11% | 0.113 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 125.9 | -174.8 | -52.5 | 174.4 | 0 | 0 | 0 | 108.6 | L243 V244 L253 H260 | L243-I251 CarbonylContact C-O 3.48Å; V244-I251 WeakPolarHBondContact CA-O 3.26Å; V244-I251 PolarHBondContact N-O 2.8Å; V244-I251 PolarHBondContact O-N 2.84Å; I251-L253 HydrophobicContact CG2-CD2 3.99Å; I251-L253 HydrophobicContact CG2-CG 3.99Å; I251-H260 CarbonylContact C-O 3.47Å; I251-H260 WeakPolarHBondContact CA-O 3.47Å |
| 252 | Y | 90.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.2 | 168.2 | 170.9 | -101 | 0 | 0 | 0 | 109.8 | I235 E239 L240 V242 N254 C259 H260 L299 C306 I309 | I235-Y252 HydrophobicContact CB-CE2 4.38Å; I235-Y252 HydrophobicContact CG1-CD2 4.13Å; I235-Y252 HydrophobicContact CG1-CE2 3.82Å; E239-Y252 PolarHBondContact O-OH 3.11Å; L240-Y252 WeakPolarHBondContact O-CE2 3.47Å; L240-Y252 PolarHBondContact O-OH 2.76Å; V242-Y252 WeakPolarHBondContact O-CA 3.39Å; Y252-N254 HydrophobicContact CE1-CB 3.67Å; Y252-N254 PolarHBondContact OH-ND2 3.27Å; Y252-C259 WeakPolarHBondContact O-CA 3Å; Y252-H260 HydrophobicContact CD1-CB 4.43Å; Y252-H260 AromaticContact CD1-CD2 3.89Å; Y252-H260 PolarHBondContact N-O 2.79Å; Y252-H260 PolarHBondContact O-N 2.81Å; Y252-L299 HydrophobicContact CD2-CD1 4.41Å; Y252-L299 HydrophobicContact CD2-CD2 4.06Å; Y252-L299 HydrophobicContact CE2-CD1 4.18Å; Y252-L299 HydrophobicContact CG-CD2 4.14Å; Y252-C306 HydrophobicContact CD1-CB 4.07Å; Y252-C306 HydrophobicContact CE1-CB 3.37Å; Y252-I309 HydrophobicContact CG-CG2 4.33Å |
| 253 | L | 91.1 | Very high | 85.1 | Confident | 13 Ų | 13 | 36 Ų | 36 | 7% | 0.068 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 125.1 | -178.9 | -65.3 | 172 | 0 | 0 | 0 | 109.7 | I203 W220 K222 G241 V242 I251 C259 | I203-L253 HydrophobicContact CD1-CD1 3.51Å; W220-L253 HydrophobicContact CZ3-CD1 4.41Å; K222-L253 HydrophobicContact CB-CD1 4.31Å; K222-L253 HydrophobicContact CD-CD2 4.4Å; K222-L253 HydrophobicContact CG-CD1 4.05Å; K222-L253 HydrophobicContact CG-CD2 4.4Å; G241-L253 CarbonylContact C-O 3.55Å; G241-L253 VanDerWaalsContact CA-O 3.23Å; G241-L253 WeakPolarHBondContact CA-O 3.38Å; V242-L253 PolarHBondContact N-O 2.83Å; V242-L253 PolarHBondContact O-N 2.83Å; I251-L253 HydrophobicContact CG2-CD2 3.99Å; I251-L253 HydrophobicContact CG2-CG 3.99Å; L253-C259 HydrophobicContact CD2-CB 3.8Å; L253-C259 WeakPolarHBondContact CD2-SG 3.37Å |
| 254 | N | 88.6 | Confident | 84.1 | Confident | 17 Ų | 17 | 39.5 Ų | 39.5 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 139.9 | 175.9 | -177.3 | -70.9 | 0 | 0 | 0 | 109.5 | E239 L240 Y252 I256 T257 G258 | E239-N254 PolarHBondContact O-ND2 2.93Å; L240-N254 PolarHBondContact O-ND2 3.04Å; Y252-N254 HydrophobicContact CE1-CB 3.67Å; Y252-N254 PolarHBondContact OH-ND2 3.27Å; N254-I256 VanDerWaalsContact C-N 3.26Å; N254-I256 PolarHBondContact O-N 3.1Å; N254-I256 WeakPolarHBondContact OD1-CA 2.83Å; N254-I256 WeakPolarHBondContact OD1-CB 3.24Å; N254-I256 PolarHBondContact OD1-N 3.34Å; N254-T257 WeakPolarHBondContact CB-OG1 3.47Å; N254-T257 PolarHBondContact OD1-N 3.02Å; N254-G258 PolarHBondContact N-O 3.25Å; N254-G258 CarbonylContact O-C 3.53Å; N254-G258 VanDerWaalsContact O-CA 3.25Å; N254-G258 WeakPolarHBondContact O-CA 3.22Å; N254-G258 PolarHBondContact O-N 3.33Å |
| 255 | E | 82.5 | Confident | 83.1 | Confident | 106 Ų | 106 | 40.6 Ų | 40.6 | 50% | 0.495 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -33.5 | -177.6 | -69.2 | 165.2 | -136.5 | 0 | 0 | 113.2 | Y186 W220 | Y186-E255 PolarHBondContact OH-OE1 3.27Å; Y186-E255 PolarHBondContact OH-OE2 3.02Å; Y186-E255 VanDerWaalsContact OH-OE2 3.07Å; W220-E255 HydrophobicContact CG-CG 3.94Å; W220-E255 PolarHBondContact NE1-OE1 2.64Å |
| 256 | I | 81.4 | Confident | 81.7 | Confident | 125 Ų | 125 | 44.2 Ų | 44.2 | 64% | 0.641 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -47.9 | -174.5 | -55.7 | 174.4 | 0 | 0 | 0 | 110.5 | N254 | N254-I256 VanDerWaalsContact C-N 3.26Å; N254-I256 PolarHBondContact O-N 3.1Å; N254-I256 WeakPolarHBondContact OD1-CA 2.83Å; N254-I256 WeakPolarHBondContact OD1-CB 3.24Å; N254-I256 PolarHBondContact OD1-N 3.34Å |
| 257 | T | 82.3 | Confident | 80.5 | Confident | 34 Ų | 34 | 50.5 Ų | 50.5 | 21% | 0.209 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -13 | -174.4 | 68.7 | 0 | 0 | 0 | 0 | 113.4 | N254 H260 R305 | N254-T257 WeakPolarHBondContact CB-OG1 3.47Å; N254-T257 PolarHBondContact OD1-N 3.02Å; T257-H260 PolarHBondContact O-NE2 2.83Å; T257-R305 HydrophobicContact CG2-CB 3.79Å; T257-R305 HydrophobicContact CG2-CG 4.04Å |
| 258 | G | 84.8 | Confident | 79.8 | Confident | 32 Ų | 32 | 52.4 Ų | 52.4 | 33% | 0.33 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 88.7 | -147.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N254 | N254-G258 PolarHBondContact N-O 3.25Å; N254-G258 CarbonylContact O-C 3.53Å; N254-G258 VanDerWaalsContact O-CA 3.25Å; N254-G258 WeakPolarHBondContact O-CA 3.22Å; N254-G258 PolarHBondContact O-N 3.33Å |
| 259 | C | 87.5 | Confident | 78.9 | Confident | 60 Ų | 60 | 54.1 Ų | 54.1 | 41% | 0.405 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 118.7 | -173.2 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | Y252 L253 | Y252-C259 WeakPolarHBondContact O-CA 3Å; L253-C259 HydrophobicContact CD2-CB 3.8Å; L253-C259 WeakPolarHBondContact CD2-SG 3.37Å |
| 260 | H | 88.7 | Confident | 77.5 | Confident | 37 Ų | 37 | 54 Ų | 54 | 17% | 0.171 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 144.2 | 171.1 | -59 | -90.4 | 0 | 0 | 0 | 108.5 | I251 Y252 T257 C306 T307 I309 | I251-H260 CarbonylContact C-O 3.47Å; I251-H260 WeakPolarHBondContact CA-O 3.47Å; Y252-H260 HydrophobicContact CD1-CB 4.43Å; Y252-H260 AromaticContact CD1-CD2 3.89Å; Y252-H260 PolarHBondContact N-O 2.79Å; Y252-H260 PolarHBondContact O-N 2.81Å; T257-H260 PolarHBondContact O-NE2 2.83Å; H260-C306 PolarHBondContact NE2-O 3.02Å; H260-T307 PolarHBondContact CE1-O 3.08Å; H260-T307 VanDerWaalsContact CE1-O 3.29Å; H260-T307 PolarHBondContact ND1-O 2.79Å; H260-I309 HydrophobicContact CB-CG2 4.18Å |
| 261 | Y | 86.9 | Confident | 76 | Confident | 158 Ų | 158 | 56.6 Ų | 56.6 | 62% | 0.62 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 154 | 177.5 | 70.4 | -83.6 | 0 | 0 | 0 | 111.7 | V250 | V250-Y261 CarbonylContact O-C 3.5Å; V250-Y261 WeakPolarHBondContact O-CA 2.98Å; V250-Y261 WeakPolarHBondContact O-CB 3.13Å |
| 262 | V | 84.1 | Confident | 74.8 | Confident | 38 Ų | 38 | 56.3 Ų | 56.3 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 120.5 | 170.3 | 165.5 | 0 | 0 | 0 | 0 | 107.4 | S249 V250 L265 I309 V311 | S249-V262 VanDerWaalsContact CA-O 3.27Å; S249-V262 WeakPolarHBondContact CA-O 3.42Å; S249-V262 WeakPolarHBondContact CB-O 3.4Å; V250-V262 PolarHBondContact N-O 2.89Å; V250-V262 PolarHBondContact O-N 2.76Å; V262-L265 HydrophobicContact CG1-CD2 4.14Å; V262-I309 HydrophobicContact CB-CD1 4.37Å; V262-I309 HydrophobicContact CB-CG1 4.25Å; V262-I309 HydrophobicContact CG2-CD1 4.26Å; V262-I309 HydrophobicContact CG2-CG1 3.61Å; V262-I309 WeakPolarHBondContact CG2-O 3.25Å; V262-V311 HydrophobicContact CB-CG2 3.84Å; V262-V311 HydrophobicContact CG1-CB 4.01Å; V262-V311 HydrophobicContact CG1-CG2 3.82Å; V262-V311 HydrophobicContact CG2-CG2 4.32Å |
| 263 | G | 77.9 | Confident | 73.1 | Confident | 32 Ų | 32 | 58.2 Ų | 58.2 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | trans | 170.4 | 164.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 264 | P | 68.1 | Low | 71.5 | Confident | 74 Ų | 74 | 57.9 Ų | 57.9 | 48% | 0.481 | 31% | 0.307 | S | S | . | . | cis | -76.3 | 134.7 | -2.1 | 29.4 | -34.7 | 0 | 0 | 0 | 112.6 | E248 N266 | E248-P264 HydrophobicContact CB-CB 4.4Å; E248-P264 CarbonylContact O-C 3.57Å; E248-P264 VanDerWaalsContact O-CA 3.25Å; E248-P264 WeakPolarHBondContact O-CA 3.44Å; P264-N266 VanDerWaalsContact CG-ND2 3.33Å; P264-N266 WeakPolarHBondContact CG-ND2 3.47Å; P264-N266 PolarHBondContact O-N 2.75Å | ||
| 265 | L | 69.4 | Low | 69.9 | Low | 25 Ų | 25 | 60.6 Ų | 60.6 | 13% | 0.131 | 33% | 0.327 | C | S | . | . | trans | -75.1 | 54.2 | 170.7 | -67.8 | 168.7 | 0 | 0 | 0 | 110.1 | E248 V250 V262 Q267 Y268 Y272 V311 | E248-L265 PolarHBondContact O-N 2.75Å; V250-L265 HydrophobicContact CG2-CD1 4.31Å; V262-L265 HydrophobicContact CG1-CD2 4.14Å; L265-Q267 PolarHBondContact O-N 2.7Å; L265-Y268 CarbonylContact O-C 3.51Å; L265-Y268 PolarHBondContact O-N 3.43Å; L265-Y272 WeakPolarHBondContact CD1-OH 3.29Å; L265-V311 HydrophobicContact CD1-CG1 4.28Å; L265-V311 HydrophobicContact CD2-CG1 4.44Å | ||
| 266 | N | 57.8 | Low | 68.7 | Low | 76 Ų | 76 | 56 Ų | 56 | 41% | 0.406 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -20.7 | -169.7 | -82.7 | -37.9 | 0 | 0 | 0 | 115.2 | P264 Y268 R269 | P264-N266 VanDerWaalsContact CG-ND2 3.33Å; P264-N266 WeakPolarHBondContact CG-ND2 3.47Å; P264-N266 PolarHBondContact O-N 2.75Å; N266-Y268 VanDerWaalsContact C-N 3.34Å; N266-R269 PolarHBondContact OD1-NH2 3.28Å |
| 267 | Q | 58 | Low | 67.6 | Low | 132 Ų | 132 | 53 Ų | 53 | 62% | 0.617 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -18 | 177.5 | -64.3 | 176.2 | 6.4 | 0 | 0 | 113.1 | L265 | L265-Q267 PolarHBondContact O-N 2.7Š|
| 268 | Y | 57.4 | Low | 66.5 | Low | 62 Ų | 62 | 53 Ų | 53 | 24% | 0.243 | 29% | 0.289 | C | S | . | . | trans | -134.6 | 76.7 | -170.9 | -53.5 | -78.1 | 0 | 0 | 0 | 110.3 | L265 N266 A270 H293 F295 C313 | L265-Y268 CarbonylContact O-C 3.51Å; L265-Y268 PolarHBondContact O-N 3.43Å; N266-Y268 VanDerWaalsContact C-N 3.34Å; Y268-A270 PolarHBondContact O-N 3.15Å; Y268-H293 AromaticContact CD1-ND1 3.96Å; Y268-F295 HydrophobicContact CD1-CE1 4.15Å; Y268-F295 AromaticContact CD1-CZ 3.85Å; Y268-F295 HydrophobicContact CD1-CZ 3.85Å; Y268-F295 AromaticContact CD2-CE1 3.73Å; Y268-F295 HydrophobicContact CD2-CE1 3.73Å; Y268-F295 HydrophobicContact CD2-CZ 4.1Å; Y268-F295 HydrophobicContact CE2-CE1 4.18Å; Y268-F295 AromaticContact CG-CE1 3.72Å; Y268-F295 HydrophobicContact CG-CE1 3.72Å; Y268-F295 AromaticContact CG-CZ 3.58Å; Y268-F295 HydrophobicContact CG-CZ 3.58Å; Y268-C313 HydrophobicContact CE1-CB 4.06Å; Y268-C313 HydrophobicContact CE2-CB 4.02Å; Y268-C313 WeakPolarHBondContact OH-CB 3.38Å | ||
| 269 | R | 57.1 | Low | 65.2 | Low | 91 Ų | 91 | 51.8 Ų | 51.8 | 34% | 0.343 | 28% | 0.275 | S | S | . | . | trans | -95.8 | 60.7 | -177.1 | -65.4 | -173.8 | 177.9 | -163.1 | -5.4 | 112 | N266 | N266-R269 PolarHBondContact OD1-NH2 3.28Š| ||
| 270 | A | 55.4 | Low | 63.6 | Low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -126.3 | 133.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y268 Y272 D289 V290 L291 | Y268-A270 PolarHBondContact O-N 3.15Å; A270-Y272 PolarHBondContact O-N 3.35Å; A270-D289 HydrophobicContact CB-CB 3.76Å; A270-D289 WeakPolarHBondContact CB-OD2 3.29Å; A270-V290 HydrophobicContact CB-CG2 3.7Å; A270-L291 HydrophobicContact CB-CB 4.44Å; A270-L291 HydrophobicContact CB-CD1 3.95Å; A270-L291 HydrophobicContact CB-CG 3.86Å | ||
| 271 | P | 57.2 | Low | 61.9 | Low | 54 Ų | 54 | 58.3 Ų | 58.3 | 35% | 0.351 | 31% | 0.31 | S | S | . | . | trans | -59.4 | 137.9 | 177 | 19.7 | -29.1 | 0 | 0 | 0 | 111.3 | T247 V290 | T247-P271 HydrophobicContact CG2-CB 4.21Å; P271-V290 HydrophobicContact CG-CG1 3.96Å; P271-V290 HydrophobicContact CG-CG2 3.84Å; P271-V290 WeakPolarHBondContact O-CG1 3.44Å; P271-V290 PolarHBondContact O-N 3.46Å | ||
| 272 | Y | 62.9 | Low | 60.6 | Low | 16 Ų | 16 | 56.9 Ų | 56.9 | 6% | 0.063 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -72.7 | 136.8 | 179.7 | -55.2 | -39.7 | 0 | 0 | 0 | 110.6 | L245 S246 L265 A270 F287 D289 F295 | L245-Y272 HydrophobicContact CB-CD2 3.97Å; L245-Y272 HydrophobicContact CB-CE2 4.42Å; L245-Y272 HydrophobicContact CD1-CD2 4.43Å; S246-Y272 VanDerWaalsContact C-CE2 3.47Å; S246-Y272 WeakPolarHBondContact O-CE2 3.22Å; S246-Y272 PolarHBondContact O-OH 2.96Å; L265-Y272 WeakPolarHBondContact CD1-OH 3.29Å; A270-Y272 PolarHBondContact O-N 3.35Å; Y272-F287 AromaticContact CD1-CD2 3.86Å; Y272-F287 HydrophobicContact CD1-CD2 3.86Å; Y272-F287 AromaticContact CD1-CE2 3.71Å; Y272-F287 HydrophobicContact CD1-CE2 3.71Å; Y272-F287 HydrophobicContact CD2-CD2 4.43Å; Y272-F287 HydrophobicContact CD2-CE2 4.33Å; Y272-F287 HydrophobicContact CE1-CD2 4.06Å; Y272-F287 AromaticContact CE1-CE2 3.4Å; Y272-F287 HydrophobicContact CE1-CE2 3.4Å; Y272-F287 VanDerWaalsContact CE1-CE2 3.4Å; Y272-F287 HydrophobicContact CE1-CZ 4.35Å; Y272-F287 HydrophobicContact CE2-CD2 4.47Å; Y272-F287 AromaticContact CE2-CE2 3.94Å; Y272-F287 HydrophobicContact CE2-CE2 3.94Å; Y272-F287 HydrophobicContact CE2-CZ 4.45Å; Y272-F287 HydrophobicContact CG-CD2 4.1Å; Y272-F287 HydrophobicContact CG-CE2 4.2Å; Y272-F287 AromaticContact CZ-CE2 3.52Å; Y272-D289 HydrophobicContact CD1-CB 3.99Å; Y272-D289 HydrophobicContact CE1-CB 4.47Å; Y272-F295 HydrophobicContact CE1-CE2 4.5Å |
| 273 | T | 55.3 | Low | 60 | Low | 41 Ų | 41 | 58.7 Ų | 58.7 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | trans | -109.9 | -23.8 | -174.4 | 47.5 | 0 | 0 | 0 | 0 | 113.8 | G288 D289 V290 P320 | T273-G288 PolarHBondContact N-O 2.79Å; T273-G288 PolarHBondContact OG1-O 2.82Å; T273-D289 PolarHBondContact OG1-O 2.85Å; T273-V290 HydrophobicContact CG2-CB 3.94Å; T273-V290 HydrophobicContact CG2-CG1 3.16Å; T273-P320 CarbonylContact C-O 3.55Å; T273-P320 WeakPolarHBondContact CB-O 3.14Å; T273-P320 PolarHBondContact OG1-O 3.47Å | ||
| 274 | S | 58 | Low | 60.1 | Low | 6 Ų | 6 | 59.1 Ų | 59.1 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -120.3 | 147.2 | -174.9 | 50.1 | 0 | 0 | 0 | 0 | 112.1 | G288 P320 I323 | S274-G288 PolarHBondContact OG-N 2.82Å; S274-G288 PolarHBondContact OG-O 3.46Å; S274-P320 WeakPolarHBondContact CB-O 3Å; S274-P320 WeakPolarHBondContact OG-CG 3.48Å; S274-I323 WeakPolarHBondContact OG-CD1 3.12Å |
| 275 | S | 56.1 | Low | 60.9 | Low | 73 Ų | 73 | 55.7 Ų | 55.7 | 51% | 0.51 | 28% | 0.277 | S | S | . | . | trans | -75.5 | 156.8 | 175.1 | 53.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 276 | V | 56.4 | Low | 61.8 | Low | 10 Ų | 10 | 54.6 Ų | 54.6 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | trans | -74.7 | 127.3 | -175.3 | -179 | 0 | 0 | 0 | 0 | 111.1 | L233 L243 L245 Y285 M286 F287 | L233-V276 HydrophobicContact CB-CB 4.28Å; L233-V276 HydrophobicContact CD2-CB 3.53Å; L233-V276 HydrophobicContact CD2-CG1 3.45Å; L233-V276 VanDerWaalsContact CD2-CG1 3.45Å; L233-V276 HydrophobicContact CG-CB 4.39Å; L243-V276 HydrophobicContact CD2-CG1 3.99Å; L243-V276 HydrophobicContact CD2-CG2 4.03Å; L245-V276 HydrophobicContact CD1-CG2 3.37Å; L245-V276 HydrophobicContact CD2-CG2 4.04Å; L245-V276 HydrophobicContact CG-CG2 3.72Å; V276-Y285 VanDerWaalsContact CG1-CB 3.42Å; V276-Y285 HydrophobicContact CG1-CD1 3.58Å; V276-Y285 HydrophobicContact CG1-CG 3.91Å; V276-M286 VanDerWaalsContact CA-O 3.25Å; V276-M286 WeakPolarHBondContact CA-O 3.47Å; V276-F287 HydrophobicContact CG2-CB 4.22Å | ||
| 277 | F | 59.2 | Low | 63.2 | Low | 61 Ų | 61 | 51 Ų | 51 | 27% | 0.268 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 142.9 | 174.1 | -164.7 | -87.2 | 0 | 0 | 0 | 112.5 | S20 Y285 M286 | S20-F277 WeakPolarHBondContact OG-CE2 3.46Å; S20-F277 VanDerWaalsContact OG-CZ 3.3Å; S20-F277 WeakPolarHBondContact OG-CZ 3.29Å; F277-Y285 VanDerWaalsContact O-CA 3.26Å; F277-Y285 WeakPolarHBondContact O-CA 3.27Å; F277-M286 PolarHBondContact N-O 2.85Å; F277-M286 VanDerWaalsContact N-O 3.16Å; F277-M286 PolarHBondContact O-N 2.95Å; F277-M286 VanDerWaalsContact O-N 3.13Å |
| 278 | V | 57.5 | Low | 64.5 | Low | 36 Ų | 36 | 44.7 Ų | 44.7 | 22% | 0.218 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 118 | 178.5 | -170.7 | 0 | 0 | 0 | 0 | 111 | E280 Y285 | V278-E280 HydrophobicContact CG1-CG 4.07Å; V278-E280 PolarHBondContact O-N 2.92Å; V278-Y285 HydrophobicContact CB-CE1 4.39Å; V278-Y285 HydrophobicContact CG1-CE1 4.34Å; V278-Y285 HydrophobicContact CG2-CD1 4.07Å; V278-Y285 HydrophobicContact CG2-CE1 3.61Å |
| 279 | I | 57.9 | Low | 65.7 | Low | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 90.4 | 167.7 | -48.3 | 176.1 | 0 | 0 | 0 | 107.7 | R282 F284 M286 L296 Y325 I352 | I279-R282 PolarHBondContact O-N 2.9Å; I279-F284 HydrophobicContact CB-CB 4.02Å; I279-F284 HydrophobicContact CD1-CB 4.02Å; I279-F284 HydrophobicContact CG1-CB 4.23Å; I279-F284 PolarHBondContact N-O 3.45Å; I279-M286 HydrophobicContact CD1-CG 3.9Å; I279-M286 HydrophobicContact CD1-SD 3.72Å; I279-M286 HydrophobicContact CG1-CG 4.41Å; I279-M286 HydrophobicContact CG1-SD 4.41Å; I279-L296 HydrophobicContact CD1-CD1 4.24Å; I279-Y325 HydrophobicContact CB-CD1 4.44Å; I279-Y325 HydrophobicContact CG1-CG 4.41Å; I279-Y325 HydrophobicContact CG2-CD1 3.84Å; I279-Y325 HydrophobicContact CG2-CD2 4.37Å; I279-Y325 HydrophobicContact CG2-CE1 3.63Å; I279-Y325 HydrophobicContact CG2-CE2 4.2Å; I279-Y325 HydrophobicContact CG2-CG 4.2Å; I279-I352 HydrophobicContact CD1-CD1 3.76Å |
| 280 | E | 54.8 | Low | 66.8 | Low | 110 Ų | 110 | 38.7 Ų | 38.7 | 51% | 0.514 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 143.2 | 169.7 | -75.7 | -160.8 | -179.2 | 0 | 0 | 110.9 | Q87 V278 | Q87-E280 PolarHBondContact NE2-OE2 2.7Å; Q87-E280 VanDerWaalsContact NE2-OE2 3.14Å; V278-E280 HydrophobicContact CG1-CG 4.07Å; V278-E280 PolarHBondContact O-N 2.92Å |
| 281 | P | 53.7 | Low | 67.9 | Low | 124 Ų | 124 | 39.3 Ų | 39.3 | 81% | 0.805 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -94.3 | 17.1 | 3.7 | 35.9 | -34.5 | 0 | 0 | 0 | 114.6 | ||
| 282 | R | 58.6 | Low | 69.1 | Low | 128 Ų | 128 | 36.8 Ų | 36.8 | 48% | 0.483 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | 31 | -155.7 | -71.6 | -167.6 | 172.1 | 162.9 | -4.4 | 117.7 | I279 F284 N350 | I279-R282 PolarHBondContact O-N 2.9Å; R282-F284 HydrophobicContact CB-CD2 3.29Å; R282-F284 HydrophobicContact CB-CE2 3.36Å; R282-F284 HydrophobicContact CB-CG 4.34Å; R282-F284 HydrophobicContact CB-CZ 4.43Å; R282-F284 HydrophobicContact CG-CD2 4.44Å; R282-F284 HydrophobicContact CG-CE2 4.17Å; R282-F284 WeakPolarHBondContact O-CD2 3.46Å; R282-F284 VanDerWaalsContact O-CG 3.25Å; R282-F284 WeakPolarHBondContact O-CG 3.38Å; R282-F284 PolarHBondContact O-N 2.88Å; R282-N350 PolarHBondContact NH1-O 3.45Å; R282-N350 VanDerWaalsContact NH1-O 3.12Å |
| 283 | R | 70.9 | Confident | 70.1 | Confident | 77 Ų | 77 | 36.5 Ų | 36.5 | 29% | 0.291 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 27.7 | 174.3 | -62 | 177.1 | 172.2 | 162.5 | -7.9 | 114.3 | E239 Y285 L299 D304 | E239-R283 IonicContact OE1-CZ 3.16Å; E239-R283 IonicContact OE1-NE 2.93Å; E239-R283 PolarHBondContact OE1-NE 2.95Å; E239-R283 IonicContact OE1-NH2 3.08Å; E239-R283 PolarHBondContact OE1-NH2 2.75Å; R283-Y285 WeakPolarHBondContact O-CD2 3.24Å; R283-Y285 WeakPolarHBondContact O-CE2 3.3Å; R283-L299 PolarHBondContact O-N 2.9Å; R283-D304 IonicContact NH2-OD1 3.91Å; R283-D304 PolarHBondContact NH2-OD1 3.11Å |
| 284 | F | 80.2 | Confident | 71.6 | Confident | 41 Ų | 41 | 34.6 Ų | 34.6 | 18% | 0.18 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 141.3 | -177.9 | -69.7 | -53.7 | 0 | 0 | 0 | 109.4 | I279 R282 L296 V297 T298 I352 | I279-F284 HydrophobicContact CB-CB 4.02Å; I279-F284 HydrophobicContact CD1-CB 4.02Å; I279-F284 HydrophobicContact CG1-CB 4.23Å; I279-F284 PolarHBondContact N-O 3.45Å; R282-F284 HydrophobicContact CB-CD2 3.29Å; R282-F284 HydrophobicContact CB-CE2 3.36Å; R282-F284 HydrophobicContact CB-CG 4.34Å; R282-F284 HydrophobicContact CB-CZ 4.43Å; R282-F284 HydrophobicContact CG-CD2 4.44Å; R282-F284 HydrophobicContact CG-CE2 4.17Å; R282-F284 WeakPolarHBondContact O-CD2 3.46Å; R282-F284 VanDerWaalsContact O-CG 3.25Å; R282-F284 WeakPolarHBondContact O-CG 3.38Å; R282-F284 PolarHBondContact O-N 2.88Å; F284-L296 HydrophobicContact CB-CD1 3.83Å; F284-L296 HydrophobicContact CD1-CD1 4.12Å; F284-L296 HydrophobicContact CD1-CD2 4.2Å; F284-L296 HydrophobicContact CD1-CG 4.27Å; F284-L296 HydrophobicContact CE1-CD2 4.44Å; F284-L296 HydrophobicContact CG-CD1 4.15Å; F284-V297 WeakPolarHBondContact CA-O 3.28Å; F284-T298 HydrophobicContact CD1-CG2 3.94Å; F284-T298 WeakPolarHBondContact CD1-OG1 3.32Å; F284-T298 HydrophobicContact CE1-CG2 3.58Å; F284-T298 VanDerWaalsContact CE1-OG1 3.29Å; F284-T298 WeakPolarHBondContact CE1-OG1 3.19Å; F284-I352 HydrophobicContact CD2-CD1 4.35Å |
| 285 | Y | 85.8 | Confident | 72.9 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 126.7 | -171 | -68.8 | -80.5 | 0 | 0 | 0 | 108 | L233 I235 V276 F277 V278 R283 L296 V297 L299 | L233-Y285 HydrophobicContact CD2-CD1 3.85Å; L233-Y285 HydrophobicContact CD2-CE1 4.02Å; I235-Y285 HydrophobicContact CD1-CD1 4.23Å; I235-Y285 HydrophobicContact CD1-CE1 3.51Å; I235-Y285 HydrophobicContact CD1-CE2 4.32Å; I235-Y285 WeakPolarHBondContact CG2-OH 3.35Å; V276-Y285 VanDerWaalsContact CG1-CB 3.42Å; V276-Y285 HydrophobicContact CG1-CD1 3.58Å; V276-Y285 HydrophobicContact CG1-CG 3.91Å; F277-Y285 VanDerWaalsContact O-CA 3.26Å; F277-Y285 WeakPolarHBondContact O-CA 3.27Å; V278-Y285 HydrophobicContact CB-CE1 4.39Å; V278-Y285 HydrophobicContact CG1-CE1 4.34Å; V278-Y285 HydrophobicContact CG2-CD1 4.07Å; V278-Y285 HydrophobicContact CG2-CE1 3.61Å; R283-Y285 WeakPolarHBondContact O-CD2 3.24Å; R283-Y285 WeakPolarHBondContact O-CE2 3.3Å; Y285-L296 CarbonylContact O-C 3.53Å; Y285-V297 PolarHBondContact N-O 2.75Å; Y285-V297 PolarHBondContact O-N 3.46Å; Y285-L299 HydrophobicContact CD2-CD1 4.29Å; Y285-L299 HydrophobicContact CD2-CG 4.09Å; Y285-L299 HydrophobicContact CE2-CD1 3.48Å; Y285-L299 VanDerWaalsContact CE2-CD1 3.48Å; Y285-L299 HydrophobicContact CE2-CG 3.7Å |
| 286 | M | 86.9 | Confident | 74.4 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 140 | -179.5 | -64.8 | -176.3 | 104.5 | 0 | 0 | 111.8 | V276 F277 I279 I294 F295 L296 L314 I323 L331 I345 | V276-M286 VanDerWaalsContact CA-O 3.25Å; V276-M286 WeakPolarHBondContact CA-O 3.47Å; F277-M286 PolarHBondContact N-O 2.85Å; F277-M286 VanDerWaalsContact N-O 3.16Å; F277-M286 PolarHBondContact O-N 2.95Å; F277-M286 VanDerWaalsContact O-N 3.13Å; I279-M286 HydrophobicContact CD1-CG 3.9Å; I279-M286 HydrophobicContact CD1-SD 3.72Å; I279-M286 HydrophobicContact CG1-CG 4.41Å; I279-M286 HydrophobicContact CG1-SD 4.41Å; M286-I294 HydrophobicContact CE-CG2 3.81Å; M286-F295 VanDerWaalsContact CA-O 3.26Å; M286-F295 WeakPolarHBondContact CA-O 3.42Å; M286-L296 HydrophobicContact CG-CD1 3.92Å; M286-L314 HydrophobicContact CE-CD1 3.52Å; M286-I323 HydrophobicContact CB-CG2 4.41Å; M286-L331 HydrophobicContact CE-CD2 3.9Å; M286-L331 HydrophobicContact SD-CD1 3.77Å; M286-L331 HydrophobicContact SD-CD2 3.92Å; M286-I345 HydrophobicContact CE-CD1 4.42Å; M286-I345 HydrophobicContact SD-CD1 4.47Å |
| 287 | F | 87.2 | Confident | 75.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 167.1 | 170.5 | 68.6 | -92.3 | 0 | 0 | 0 | 110.2 | L245 V250 Y272 V276 F295 V297 V311 | L245-F287 HydrophobicContact CD1-CB 3.79Å; L245-F287 HydrophobicContact CD1-CD1 4.45Å; L245-F287 HydrophobicContact CD1-CD2 4.41Å; L245-F287 HydrophobicContact CD1-CG 3.99Å; L245-F287 HydrophobicContact CD2-CD1 3.85Å; L245-F287 HydrophobicContact CD2-CE1 4.03Å; L245-F287 HydrophobicContact CD2-CG 4.13Å; L245-F287 HydrophobicContact CD2-CZ 4.48Å; V250-F287 HydrophobicContact CG2-CE1 3.83Å; V250-F287 HydrophobicContact CG2-CZ 3.78Å; Y272-F287 AromaticContact CD1-CD2 3.86Å; Y272-F287 HydrophobicContact CD1-CD2 3.86Å; Y272-F287 AromaticContact CD1-CE2 3.71Å; Y272-F287 HydrophobicContact CD1-CE2 3.71Å; Y272-F287 HydrophobicContact CD2-CD2 4.43Å; Y272-F287 HydrophobicContact CD2-CE2 4.33Å; Y272-F287 HydrophobicContact CE1-CD2 4.06Å; Y272-F287 AromaticContact CE1-CE2 3.4Å; Y272-F287 HydrophobicContact CE1-CE2 3.4Å; Y272-F287 VanDerWaalsContact CE1-CE2 3.4Å; Y272-F287 HydrophobicContact CE1-CZ 4.35Å; Y272-F287 HydrophobicContact CE2-CD2 4.47Å; Y272-F287 AromaticContact CE2-CE2 3.94Å; Y272-F287 HydrophobicContact CE2-CE2 3.94Å; Y272-F287 HydrophobicContact CE2-CZ 4.45Å; Y272-F287 HydrophobicContact CG-CD2 4.1Å; Y272-F287 HydrophobicContact CG-CE2 4.2Å; Y272-F287 AromaticContact CZ-CE2 3.52Å; V276-F287 HydrophobicContact CG2-CB 4.22Å; F287-F295 HydrophobicContact CD1-CB 3.96Å; F287-F295 HydrophobicContact CD2-CB 4.05Å; F287-F295 AromaticContact CD2-CD2 3.76Å; F287-F295 HydrophobicContact CD2-CD2 3.76Å; F287-F295 HydrophobicContact CD2-CG 4.23Å; F287-F295 HydrophobicContact CE1-CB 3.52Å; F287-F295 HydrophobicContact CE1-CG 4.25Å; F287-F295 HydrophobicContact CE2-CB 3.6Å; F287-F295 HydrophobicContact CE2-CD1 4.45Å; F287-F295 AromaticContact CE2-CD2 3.24Å; F287-F295 HydrophobicContact CE2-CD2 3.24Å; F287-F295 HydrophobicContact CE2-CE2 4.03Å; F287-F295 AromaticContact CE2-CG 3.51Å; F287-F295 HydrophobicContact CE2-CG 3.51Å; F287-F295 HydrophobicContact CG-CB 4.21Å; F287-F295 HydrophobicContact CZ-CB 3.33Å; F287-F295 HydrophobicContact CZ-CD1 4.26Å; F287-F295 AromaticContact CZ-CD2 3.81Å; F287-F295 HydrophobicContact CZ-CD2 3.81Å; F287-F295 AromaticContact CZ-CG 3.54Å; F287-F295 HydrophobicContact CZ-CG 3.54Å; F287-F295 PolarHBondContact N-O 2.76Å; F287-F295 VanDerWaalsContact N-O 3.12Å; F287-F295 PolarHBondContact O-N 2.94Å; F287-V297 HydrophobicContact CD1-CG2 3.68Å; F287-V297 HydrophobicContact CE1-CG2 3.33Å; F287-V311 HydrophobicContact CE1-CG1 4.17Å; F287-V311 HydrophobicContact CZ-CG1 4.09Å |
| 288 | G | 86.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 166 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | T273 S274 H293 | T273-G288 PolarHBondContact N-O 2.79Å; T273-G288 PolarHBondContact OG1-O 2.82Å; S274-G288 PolarHBondContact OG-N 2.82Å; S274-G288 PolarHBondContact OG-O 3.46Å; G288-H293 WeakPolarHBondContact CA-O 3.39Å |
| 289 | D | 82.7 | Confident | 78.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | B | Isolated β-bridge | trans | -108.3 | 169.9 | -174.3 | 75.4 | 14.9 | 0 | 0 | 0 | 114.3 | A270 Y272 T273 L291 G292 H293 F295 P320 | A270-D289 HydrophobicContact CB-CB 3.76Å; A270-D289 WeakPolarHBondContact CB-OD2 3.29Å; Y272-D289 HydrophobicContact CD1-CB 3.99Å; Y272-D289 HydrophobicContact CE1-CB 4.47Å; T273-D289 PolarHBondContact OG1-O 2.85Å; D289-L291 PolarHBondContact O-N 3.28Å; D289-L291 VanDerWaalsContact O-N 3.11Å; D289-L291 WeakPolarHBondContact OD1-CA 3.33Å; D289-L291 PolarHBondContact OD1-N 3.47Å; D289-G292 PolarHBondContact O-N 3.01Å; D289-G292 PolarHBondContact OD1-N 2.8Å; D289-H293 PolarHBondContact N-O 2.89Å; D289-H293 VanDerWaalsContact N-O 3.11Å; D289-H293 IonicContact OD1-CG 2.72Å; D289-H293 PolarHBondContact OD1-N 2.77Å; D289-H293 IonicContact OD1-ND1 3.87Å; D289-H293 PolarHBondContact OD1-ND1 2.78Å; D289-H293 WeakPolarHBondContact OD2-CB 3.48Å; D289-H293 IonicContact OD2-CE1 2.72Å; D289-H293 IonicContact OD2-CG 3.67Å; D289-H293 IonicContact OD2-ND1 3.58Å; D289-H293 PolarHBondContact OD2-ND1 3.34Å; D289-F295 HydrophobicContact CB-CE2 4.34Å; D289-P320 WeakPolarHBondContact O-CD 3.32Å |
| 290 | V | 80.1 | Confident | 80.1 | Confident | 28 Ų | 28 | 30.6 Ų | 30.6 | 17% | 0.17 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -19.3 | 177.6 | -71.9 | 0 | 0 | 0 | 0 | 114.3 | A270 P271 T273 A319 | A270-V290 HydrophobicContact CB-CG2 3.7Å; P271-V290 HydrophobicContact CG-CG1 3.96Å; P271-V290 HydrophobicContact CG-CG2 3.84Å; P271-V290 WeakPolarHBondContact O-CG1 3.44Å; P271-V290 PolarHBondContact O-N 3.46Å; T273-V290 HydrophobicContact CG2-CB 3.94Å; T273-V290 HydrophobicContact CG2-CG1 3.16Å; V290-A319 WeakPolarHBondContact O-CB 3.4Å |
| 291 | L | 78.8 | Confident | 81.3 | Confident | 13 Ų | 13 | 26.5 Ų | 26.5 | 7% | 0.068 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -6.1 | 178.2 | -62.3 | -178.9 | 0 | 0 | 0 | 112 | A270 D289 K316 C768 | A270-L291 HydrophobicContact CB-CB 4.44Å; A270-L291 HydrophobicContact CB-CD1 3.95Å; A270-L291 HydrophobicContact CB-CG 3.86Å; D289-L291 PolarHBondContact O-N 3.28Å; D289-L291 VanDerWaalsContact O-N 3.11Å; D289-L291 WeakPolarHBondContact OD1-CA 3.33Å; D289-L291 PolarHBondContact OD1-N 3.47Å; L291-K316 WeakPolarHBondContact O-CE 3.16Å; L291-C768 HydrophobicContact CD2-CB 4.34Å |
| 292 | G | 82.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | 91.6 | 12 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | D289 K316 A317 | D289-G292 PolarHBondContact O-N 3.01Å; D289-G292 PolarHBondContact OD1-N 2.8Å; G292-K316 CarbonylContact O-C 3.52Å; G292-K316 WeakPolarHBondContact O-CA 3.41Å; G292-A317 WeakPolarHBondContact CA-O 3.47Å; G292-A317 PolarHBondContact O-N 3.15Å | ||
| 293 | H | 83.5 | Confident | 83.7 | Confident | 11 Ų | 11 | 27.6 Ų | 27.6 | 5% | 0.051 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 134.3 | 171.6 | -54.2 | 111.2 | 0 | 0 | 0 | 110 | Y268 G288 D289 F295 D770 | Y268-H293 AromaticContact CD1-ND1 3.96Å; G288-H293 WeakPolarHBondContact CA-O 3.39Å; D289-H293 PolarHBondContact N-O 2.89Å; D289-H293 VanDerWaalsContact N-O 3.11Å; D289-H293 IonicContact OD1-CG 2.72Å; D289-H293 PolarHBondContact OD1-N 2.77Å; D289-H293 IonicContact OD1-ND1 3.87Å; D289-H293 PolarHBondContact OD1-ND1 2.78Å; D289-H293 WeakPolarHBondContact OD2-CB 3.48Å; D289-H293 IonicContact OD2-CE1 2.72Å; D289-H293 IonicContact OD2-CG 3.67Å; D289-H293 IonicContact OD2-ND1 3.58Å; D289-H293 PolarHBondContact OD2-ND1 3.34Å; H293-F295 HydrophobicContact CB-CD2 4.45Å; H293-F295 HydrophobicContact CB-CE2 3.59Å; H293-F295 HydrophobicContact CB-CZ 3.72Å; H293-D770 IonicContact CE1-OD2 3.98Å; H293-D770 IonicContact NE2-OD2 3.92Å |
| 294 | I | 86 | Confident | 83.8 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 120.8 | 178.5 | -51.8 | -57.3 | 0 | 0 | 0 | 109 | M286 L314 F315 P320 I323 I333 | M286-I294 HydrophobicContact CE-CG2 3.81Å; I294-L314 PolarHBondContact O-N 3.49Å; I294-F315 HydrophobicContact CB-CD2 4.38Å; I294-F315 HydrophobicContact CB-CE1 4.47Å; I294-F315 HydrophobicContact CB-CE2 4.07Å; I294-F315 HydrophobicContact CB-CZ 4.11Å; I294-F315 HydrophobicContact CG1-CD2 4.06Å; I294-F315 HydrophobicContact CG1-CE2 3.6Å; I294-F315 HydrophobicContact CG1-CZ 4.02Å; I294-F315 HydrophobicContact CG2-CE1 4.47Å; I294-F315 HydrophobicContact CG2-CZ 4.16Å; I294-F315 PolarHBondContact N-O 2.78Å; I294-P320 HydrophobicContact CD1-CB 4.36Å; I294-P320 HydrophobicContact CD1-CG 3.73Å; I294-I323 HydrophobicContact CD1-CD1 4.22Å; I294-I333 HydrophobicContact CD1-CD1 4.11Å; I294-I333 HydrophobicContact CG1-CD1 4.1Å |
| 295 | F | 85.7 | Confident | 83.7 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 145.9 | -177.6 | -59.9 | -89.4 | 0 | 0 | 0 | 111.3 | Y268 Y272 M286 F287 D289 H293 V311 E312 C313 | Y268-F295 HydrophobicContact CD1-CE1 4.15Å; Y268-F295 AromaticContact CD1-CZ 3.85Å; Y268-F295 HydrophobicContact CD1-CZ 3.85Å; Y268-F295 AromaticContact CD2-CE1 3.73Å; Y268-F295 HydrophobicContact CD2-CE1 3.73Å; Y268-F295 HydrophobicContact CD2-CZ 4.1Å; Y268-F295 HydrophobicContact CE2-CE1 4.18Å; Y268-F295 AromaticContact CG-CE1 3.72Å; Y268-F295 HydrophobicContact CG-CE1 3.72Å; Y268-F295 AromaticContact CG-CZ 3.58Å; Y268-F295 HydrophobicContact CG-CZ 3.58Å; Y272-F295 HydrophobicContact CE1-CE2 4.5Å; M286-F295 VanDerWaalsContact CA-O 3.26Å; M286-F295 WeakPolarHBondContact CA-O 3.42Å; F287-F295 HydrophobicContact CD1-CB 3.96Å; F287-F295 HydrophobicContact CD2-CB 4.05Å; F287-F295 AromaticContact CD2-CD2 3.76Å; F287-F295 HydrophobicContact CD2-CD2 3.76Å; F287-F295 HydrophobicContact CD2-CG 4.23Å; F287-F295 HydrophobicContact CE1-CB 3.52Å; F287-F295 HydrophobicContact CE1-CG 4.25Å; F287-F295 HydrophobicContact CE2-CB 3.6Å; F287-F295 HydrophobicContact CE2-CD1 4.45Å; F287-F295 AromaticContact CE2-CD2 3.24Å; F287-F295 HydrophobicContact CE2-CD2 3.24Å; F287-F295 HydrophobicContact CE2-CE2 4.03Å; F287-F295 AromaticContact CE2-CG 3.51Å; F287-F295 HydrophobicContact CE2-CG 3.51Å; F287-F295 HydrophobicContact CG-CB 4.21Å; F287-F295 HydrophobicContact CZ-CB 3.33Å; F287-F295 HydrophobicContact CZ-CD1 4.26Å; F287-F295 AromaticContact CZ-CD2 3.81Å; F287-F295 HydrophobicContact CZ-CD2 3.81Å; F287-F295 AromaticContact CZ-CG 3.54Å; F287-F295 HydrophobicContact CZ-CG 3.54Å; F287-F295 PolarHBondContact N-O 2.76Å; F287-F295 VanDerWaalsContact N-O 3.12Å; F287-F295 PolarHBondContact O-N 2.94Å; D289-F295 HydrophobicContact CB-CE2 4.34Å; H293-F295 HydrophobicContact CB-CD2 4.45Å; H293-F295 HydrophobicContact CB-CE2 3.59Å; H293-F295 HydrophobicContact CB-CZ 3.72Å; F295-V311 HydrophobicContact CB-CG1 4.32Å; F295-V311 HydrophobicContact CD1-CG1 4.23Å; F295-E312 CarbonylContact C-O 3.47Å; F295-E312 VanDerWaalsContact CA-O 3.26Å; F295-E312 WeakPolarHBondContact CA-O 3.31Å; F295-C313 HydrophobicContact CD1-CB 3.83Å; F295-C313 HydrophobicContact CE1-CB 3.65Å; F295-C313 HydrophobicContact CZ-CB 4.48Å |
| 296 | L | 86.7 | Confident | 83.7 | Confident | 12 Ų | 12 | 34.2 Ų | 34.2 | 6% | 0.063 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 122.3 | 171.6 | -176.3 | 69.1 | 0 | 0 | 0 | 108.8 | I279 F284 Y285 M286 V311 E312 L314 I352 | I279-L296 HydrophobicContact CD1-CD1 4.24Å; F284-L296 HydrophobicContact CB-CD1 3.83Å; F284-L296 HydrophobicContact CD1-CD1 4.12Å; F284-L296 HydrophobicContact CD1-CD2 4.2Å; F284-L296 HydrophobicContact CD1-CG 4.27Å; F284-L296 HydrophobicContact CE1-CD2 4.44Å; F284-L296 HydrophobicContact CG-CD1 4.15Å; Y285-L296 CarbonylContact O-C 3.53Å; M286-L296 HydrophobicContact CG-CD1 3.92Å; L296-V311 WeakPolarHBondContact O-CA 3.39Å; L296-E312 PolarHBondContact N-O 2.82Å; L296-E312 PolarHBondContact O-N 2.93Å; L296-L314 HydrophobicContact CB-CD1 3.96Å; L296-L314 HydrophobicContact CB-CD2 4.25Å; L296-L314 HydrophobicContact CB-CG 3.97Å; L296-L314 HydrophobicContact CD2-CD1 4.44Å; L296-L314 HydrophobicContact CD2-CD2 4.29Å; L296-I352 HydrophobicContact CD1-CD1 4.49Å |
| 297 | V | 87.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 128.7 | 170.2 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | L243 V250 F284 Y285 F287 D310 V311 | L243-V297 HydrophobicContact CD1-CG1 4.48Å; L243-V297 HydrophobicContact CD2-CG1 4.45Å; V250-V297 HydrophobicContact CG1-CG1 4.36Å; V250-V297 HydrophobicContact CG1-CG2 4.21Å; F284-V297 WeakPolarHBondContact CA-O 3.28Å; Y285-V297 PolarHBondContact N-O 2.75Å; Y285-V297 PolarHBondContact O-N 3.46Å; F287-V297 HydrophobicContact CD1-CG2 3.68Å; F287-V297 HydrophobicContact CE1-CG2 3.33Å; V297-D310 CarbonylContact C-O 3.58Å; V297-D310 VanDerWaalsContact CA-O 3.29Å; V297-D310 WeakPolarHBondContact CA-O 3.16Å; V297-V311 HydrophobicContact CG1-CG2 4.44Å; V297-V311 HydrophobicContact CG2-CG1 4.41Å; V297-V311 HydrophobicContact CG2-CG2 4.14Å |
| 298 | T | 88 | Confident | 83.7 | Confident | 32 Ų | 32 | 39.1 Ų | 39.1 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.6 | 176.1 | -53.6 | 0 | 0 | 0 | 0 | 109.1 | F284 I309 D310 | F284-T298 HydrophobicContact CD1-CG2 3.94Å; F284-T298 WeakPolarHBondContact CD1-OG1 3.32Å; F284-T298 HydrophobicContact CE1-CG2 3.58Å; F284-T298 VanDerWaalsContact CE1-OG1 3.29Å; F284-T298 WeakPolarHBondContact CE1-OG1 3.19Å; T298-I309 WeakPolarHBondContact O-CA 3.31Å; T298-D310 PolarHBondContact N-O 3.42Å; T298-D310 PolarHBondContact O-N 3.11Å |
| 299 | L | 86.9 | Confident | 83.9 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 114.5 | 171 | -61.7 | -177.3 | 0 | 0 | 0 | 109.5 | I235 Y252 R283 Y285 C301 I309 | I235-L299 HydrophobicContact CG1-CD1 4.47Å; I235-L299 HydrophobicContact CG2-CD1 4.13Å; Y252-L299 HydrophobicContact CD2-CD1 4.41Å; Y252-L299 HydrophobicContact CD2-CD2 4.06Å; Y252-L299 HydrophobicContact CE2-CD1 4.18Å; Y252-L299 HydrophobicContact CG-CD2 4.14Å; R283-L299 PolarHBondContact O-N 2.9Å; Y285-L299 HydrophobicContact CD2-CD1 4.29Å; Y285-L299 HydrophobicContact CD2-CG 4.09Å; Y285-L299 HydrophobicContact CE2-CD1 3.48Å; Y285-L299 VanDerWaalsContact CE2-CD1 3.48Å; Y285-L299 HydrophobicContact CE2-CG 3.7Å; L299-C301 PolarHBondContact O-N 2.93Å; L299-I309 HydrophobicContact CD2-CB 4.36Å; L299-I309 HydrophobicContact CD2-CG2 3.44Å; L299-I309 VanDerWaalsContact CD2-CG2 3.44Å |
| 300 | N | 88 | Confident | 84.2 | Confident | 57 Ų | 57 | 43.8 Ų | 43.8 | 31% | 0.305 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 99.6 | 177.3 | -67.8 | -31.7 | 0 | 0 | 0 | 109 | T307 G308 D310 | N300-T307 PolarHBondContact O-N 2.81Å; N300-T307 PolarHBondContact O-OG1 3.08Å; N300-G308 WeakPolarHBondContact CB-O 3.4Å; N300-G308 PolarHBondContact N-O 2.72Å; N300-G308 PolarHBondContact O-N 3.29Å; N300-D310 VanDerWaalsContact ND2-CG 3.33Å; N300-D310 PolarHBondContact ND2-OD2 2.9Å |
| 301 | C | 81.7 | Confident | 84.5 | Confident | 23 Ų | 23 | 43.8 Ų | 43.8 | 16% | 0.155 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 139.7 | -179.7 | -36.6 | 0 | 0 | 0 | 0 | 113.1 | L299 R305 | L299-C301 PolarHBondContact O-N 2.93Å; C301-R305 CarbonylContact C-O 3.48Å; C301-R305 WeakPolarHBondContact CA-O 3.33Å; C301-R305 WeakPolarHBondContact CB-O 3.49Å |
| 302 | V | 83.1 | Confident | 84.8 | Confident | 92 Ų | 92 | 47.8 Ų | 47.8 | 56% | 0.558 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 123.7 | 172.1 | -179.3 | 0 | 0 | 0 | 0 | 106.9 | D304 R305 T307 | V302-D304 VanDerWaalsContact C-N 3.32Å; V302-D304 PolarHBondContact O-N 3.45Å; V302-R305 PolarHBondContact N-O 2.76Å; V302-R305 PolarHBondContact O-N 3.24Å; V302-T307 HydrophobicContact CB-CG2 4.1Å; V302-T307 HydrophobicContact CG2-CG2 3.9Å |
| 303 | E | 78.9 | Confident | 84.8 | Confident | 183 Ų | 183 | 49 Ų | 49 | 86% | 0.855 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 50.6 | -178.7 | -60.6 | -178.6 | 170 | 0 | 0 | 112.9 | R305 | E303-R305 PolarHBondContact O-N 3.28Š|
| 304 | D | 72.2 | Confident | 84.8 | Confident | 94 Ų | 94 | 48.8 Ų | 48.8 | 50% | 0.503 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 12.6 | -180 | -52.5 | -34.4 | 0 | 0 | 0 | 115.6 | P238 R283 V302 | P238-D304 HydrophobicContact CB-CB 4.46Å; R283-D304 IonicContact NH2-OD1 3.91Å; R283-D304 PolarHBondContact NH2-OD1 3.11Å; V302-D304 VanDerWaalsContact C-N 3.32Å; V302-D304 PolarHBondContact O-N 3.45Å |
| 305 | R | 79.6 | Confident | 84.6 | Confident | 159 Ų | 159 | 49 Ų | 49 | 60% | 0.6 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107 | 121.9 | 169.7 | -65.3 | -174.1 | 178.1 | -166.9 | -1.4 | 110.2 | T257 C301 V302 E303 T307 | T257-R305 HydrophobicContact CG2-CB 3.79Å; T257-R305 HydrophobicContact CG2-CG 4.04Å; C301-R305 CarbonylContact C-O 3.48Å; C301-R305 WeakPolarHBondContact CA-O 3.33Å; C301-R305 WeakPolarHBondContact CB-O 3.49Å; V302-R305 PolarHBondContact N-O 2.76Å; V302-R305 PolarHBondContact O-N 3.24Å; E303-R305 PolarHBondContact O-N 3.28Å; R305-T307 PolarHBondContact O-N 2.74Å |
| 306 | C | 84.1 | Confident | 84.5 | Confident | 6 Ų | 6 | 50.1 Ų | 50.1 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 126.4 | 168.1 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | Y252 H260 G308 | Y252-C306 HydrophobicContact CD1-CB 4.07Å; Y252-C306 HydrophobicContact CE1-CB 3.37Å; H260-C306 PolarHBondContact NE2-O 3.02Å; C306-G308 PolarHBondContact SG-O 3.32Å |
| 307 | T | 87 | Confident | 84.4 | Confident | 87 Ų | 87 | 50.2 Ų | 50.2 | 53% | 0.534 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -21.8 | 177.4 | 56.8 | 0 | 0 | 0 | 0 | 111.8 | H260 N300 V302 R305 | H260-T307 PolarHBondContact CE1-O 3.08Å; H260-T307 VanDerWaalsContact CE1-O 3.29Å; H260-T307 PolarHBondContact ND1-O 2.79Å; N300-T307 PolarHBondContact O-N 2.81Å; N300-T307 PolarHBondContact O-OG1 3.08Å; V302-T307 HydrophobicContact CB-CG2 4.1Å; V302-T307 HydrophobicContact CG2-CG2 3.9Å; R305-T307 PolarHBondContact O-N 2.74Å |
| 308 | G | 88.2 | Confident | 84.3 | Confident | 17 Ų | 17 | 51.4 Ų | 51.4 | 18% | 0.175 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.6 | 173.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | N300 C306 | N300-G308 WeakPolarHBondContact CB-O 3.4Å; N300-G308 PolarHBondContact N-O 2.72Å; N300-G308 PolarHBondContact O-N 3.29Å; C306-G308 PolarHBondContact SG-O 3.32Å |
| 309 | I | 90.2 | Very high | 84.3 | Confident | 9 Ų | 9 | 50.4 Ų | 50.4 | 5% | 0.046 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 144.2 | 175.3 | 69 | 176.7 | 0 | 0 | 0 | 108.4 | V250 Y252 H260 V262 T298 L299 | V250-I309 HydrophobicContact CB-CD1 4.41Å; V250-I309 HydrophobicContact CG1-CD1 4.14Å; V250-I309 WeakPolarHBondContact O-CD1 3.45Å; Y252-I309 HydrophobicContact CG-CG2 4.33Å; H260-I309 HydrophobicContact CB-CG2 4.18Å; V262-I309 HydrophobicContact CB-CD1 4.37Å; V262-I309 HydrophobicContact CB-CG1 4.25Å; V262-I309 HydrophobicContact CG2-CD1 4.26Å; V262-I309 HydrophobicContact CG2-CG1 3.61Å; V262-I309 WeakPolarHBondContact CG2-O 3.25Å; T298-I309 WeakPolarHBondContact O-CA 3.31Å; L299-I309 HydrophobicContact CD2-CB 4.36Å; L299-I309 HydrophobicContact CD2-CG2 3.44Å; L299-I309 VanDerWaalsContact CD2-CG2 3.44Å |
| 310 | D | 89 | Confident | 84.4 | Confident | 89 Ų | 89 | 50.2 Ų | 50.2 | 48% | 0.476 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 141.6 | 172.5 | -68.9 | -35.7 | 0 | 0 | 0 | 109.4 | V297 T298 N300 | V297-D310 CarbonylContact C-O 3.58Å; V297-D310 VanDerWaalsContact CA-O 3.29Å; V297-D310 WeakPolarHBondContact CA-O 3.16Å; T298-D310 PolarHBondContact N-O 3.42Å; T298-D310 PolarHBondContact O-N 3.11Å; N300-D310 VanDerWaalsContact ND2-CG 3.33Å; N300-D310 PolarHBondContact ND2-OD2 2.9Å |
| 311 | V | 86.7 | Confident | 84.4 | Confident | 28 Ų | 28 | 50.7 Ų | 50.7 | 17% | 0.17 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 121.9 | 178.4 | -173.4 | 0 | 0 | 0 | 0 | 109.1 | V250 V262 L265 F287 F295 L296 V297 | V250-V311 HydrophobicContact CB-CG2 4.03Å; V250-V311 HydrophobicContact CG1-CG2 4.46Å; V250-V311 HydrophobicContact CG2-CG2 4.03Å; V262-V311 HydrophobicContact CB-CG2 3.84Å; V262-V311 HydrophobicContact CG1-CB 4.01Å; V262-V311 HydrophobicContact CG1-CG2 3.82Å; V262-V311 HydrophobicContact CG2-CG2 4.32Å; L265-V311 HydrophobicContact CD1-CG1 4.28Å; L265-V311 HydrophobicContact CD2-CG1 4.44Å; F287-V311 HydrophobicContact CE1-CG1 4.17Å; F287-V311 HydrophobicContact CZ-CG1 4.09Å; F295-V311 HydrophobicContact CB-CG1 4.32Å; F295-V311 HydrophobicContact CD1-CG1 4.23Å; L296-V311 WeakPolarHBondContact O-CA 3.39Å; V297-V311 HydrophobicContact CG1-CG2 4.44Å; V297-V311 HydrophobicContact CG2-CG1 4.41Å; V297-V311 HydrophobicContact CG2-CG2 4.14Å |
| 312 | E | 84.9 | Confident | 84.7 | Confident | 97 Ų | 97 | 49.9 Ų | 49.9 | 45% | 0.453 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 136.3 | 178.6 | -175.7 | 175.7 | -175.5 | 0 | 0 | 110.7 | F295 L296 L314 | F295-E312 CarbonylContact C-O 3.47Å; F295-E312 VanDerWaalsContact CA-O 3.26Å; F295-E312 WeakPolarHBondContact CA-O 3.31Å; L296-E312 PolarHBondContact N-O 2.82Å; L296-E312 PolarHBondContact O-N 2.93Å; E312-L314 HydrophobicContact CG-CD2 4.5Å |
| 313 | C | 82.2 | Confident | 85.1 | Confident | 27 Ų | 27 | 45.8 Ų | 45.8 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 114.8 | 168.7 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | Y268 F295 | Y268-C313 HydrophobicContact CE1-CB 4.06Å; Y268-C313 HydrophobicContact CE2-CB 4.02Å; Y268-C313 WeakPolarHBondContact OH-CB 3.38Å; F295-C313 HydrophobicContact CD1-CB 3.83Å; F295-C313 HydrophobicContact CE1-CB 3.65Å; F295-C313 HydrophobicContact CZ-CB 4.48Å |
| 314 | L | 83.5 | Confident | 85.6 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -55.1 | -176.4 | -64.2 | 179.8 | 0 | 0 | 0 | 112.1 | M286 I294 L296 E312 I352 P354 | M286-L314 HydrophobicContact CE-CD1 3.52Å; I294-L314 PolarHBondContact O-N 3.49Å; L296-L314 HydrophobicContact CB-CD1 3.96Å; L296-L314 HydrophobicContact CB-CD2 4.25Å; L296-L314 HydrophobicContact CB-CG 3.97Å; L296-L314 HydrophobicContact CD2-CD1 4.44Å; L296-L314 HydrophobicContact CD2-CD2 4.29Å; E312-L314 HydrophobicContact CG-CD2 4.5Å; L314-I352 HydrophobicContact CD1-CG2 3.89Å; L314-I352 HydrophobicContact CD2-CG2 4.37Å; L314-P354 HydrophobicContact CB-CB 4.28Å; L314-P354 HydrophobicContact CD2-CB 4.35Å; L314-P354 HydrophobicContact CD2-CG 4.48Å; L314-P354 WeakPolarHBondContact O-CB 3.14Å |
| 315 | F | 83.2 | Confident | 86.4 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.018 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 175.3 | -174.8 | 59.3 | -93.9 | 0 | 0 | 0 | 111.3 | I294 A317 L331 I333 L343 I345 V357 L778 | I294-F315 HydrophobicContact CB-CD2 4.38Å; I294-F315 HydrophobicContact CB-CE1 4.47Å; I294-F315 HydrophobicContact CB-CE2 4.07Å; I294-F315 HydrophobicContact CB-CZ 4.11Å; I294-F315 HydrophobicContact CG1-CD2 4.06Å; I294-F315 HydrophobicContact CG1-CE2 3.6Å; I294-F315 HydrophobicContact CG1-CZ 4.02Å; I294-F315 HydrophobicContact CG2-CE1 4.47Å; I294-F315 HydrophobicContact CG2-CZ 4.16Å; I294-F315 PolarHBondContact N-O 2.78Å; F315-A317 HydrophobicContact CD2-CB 4.36Å; F315-A317 HydrophobicContact CE2-CB 4.14Å; F315-L331 HydrophobicContact CZ-CD2 4.12Å; F315-I333 HydrophobicContact CE2-CD1 3.89Å; F315-I333 HydrophobicContact CZ-CD1 4.23Å; F315-L343 HydrophobicContact CE2-CD1 3.54Å; F315-L343 HydrophobicContact CZ-CD1 3.66Å; F315-I345 HydrophobicContact CE1-CG2 4.05Å; F315-I345 HydrophobicContact CZ-CG2 4.3Å; F315-V357 HydrophobicContact CD1-CB 4.46Å; F315-V357 HydrophobicContact CD1-CG1 4.34Å; F315-V357 HydrophobicContact CD1-CG2 3.73Å; F315-V357 HydrophobicContact CE1-CG1 4.2Å; F315-V357 HydrophobicContact CE1-CG2 3.96Å; F315-V357 HydrophobicContact CG-CG2 4.49Å; F315-V357 HydrophobicContact CZ-CG1 4.35Å; F315-L778 HydrophobicContact CB-CD2 3.93Å; F315-L778 HydrophobicContact CB-CG 3.98Å; F315-L778 HydrophobicContact CD2-CD1 3.55Å; F315-L778 HydrophobicContact CD2-CD2 4.06Å; F315-L778 HydrophobicContact CD2-CG 3.84Å; F315-L778 HydrophobicContact CE2-CD1 4.01Å; F315-L778 HydrophobicContact CG-CD1 4.3Å; F315-L778 HydrophobicContact CG-CD2 3.98Å; F315-L778 HydrophobicContact CG-CG 4.13Å |
| 316 | K | 82 | Confident | 86.8 | Confident | 27 Ų | 27 | 26.9 Ų | 26.9 | 12% | 0.117 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 130.5 | 174.8 | -165.9 | 178.1 | -172.3 | 171.2 | 0 | 110.7 | L291 G292 D770 Y777 L778 | L291-K316 WeakPolarHBondContact O-CE 3.16Å; G292-K316 CarbonylContact O-C 3.52Å; G292-K316 WeakPolarHBondContact O-CA 3.41Å; K316-D770 IonicContact NZ-OD2 2.81Å; K316-D770 PolarHBondContact NZ-OD2 2.93Å; K316-D770 VanDerWaalsContact NZ-OD2 3.08Å; K316-Y777 HydrophobicContact CB-CD1 4.24Å; K316-Y777 HydrophobicContact CD-CD1 3.91Å; K316-Y777 HydrophobicContact CD-CE1 3.69Å; K316-L778 WeakPolarHBondContact O-CD1 3.3Å |
| 317 | A | 84.9 | Confident | 86.8 | Confident | 14 Ų | 14 | 27.6 Ų | 27.6 | 12% | 0.116 | 16% | 0.16 | C | C | . | . | trans | -129.8 | -159.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | G292 F315 I333 L778 | G292-A317 WeakPolarHBondContact CA-O 3.47Å; G292-A317 PolarHBondContact O-N 3.15Å; F315-A317 HydrophobicContact CD2-CB 4.36Å; F315-A317 HydrophobicContact CE2-CB 4.14Å; A317-I333 HydrophobicContact CB-CD1 3.77Å; A317-L778 HydrophobicContact CB-CD1 4.36Å | ||
| 318 | S | 86.1 | Confident | 86.6 | Confident | 24 Ų | 24 | 30.1 Ų | 30.1 | 17% | 0.168 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -72.6 | 150.5 | 167.2 | -70.4 | 0 | 0 | 0 | 0 | 111.1 | P320 D339 Y341 | S318-P320 VanDerWaalsContact O-CD 3.24Å; S318-P320 WeakPolarHBondContact O-CD 3.46Å; S318-D339 VanDerWaalsContact CB-O 3.25Å; S318-D339 WeakPolarHBondContact CB-O 3.46Å; S318-D339 PolarHBondContact OG-O 2.94Å; S318-Y341 WeakPolarHBondContact OG-CE2 3.38Å |
| 319 | A | 87.2 | Confident | 86.4 | Confident | 12 Ų | 12 | 29.3 Ų | 29.3 | 10% | 0.099 | 16% | 0.162 | C | C | . | . | trans | -53.2 | 111.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111 | V290 E321 S335 L337 | V290-A319 WeakPolarHBondContact O-CB 3.4Å; A319-E321 PolarHBondContact O-N 3.45Å; A319-S335 VanDerWaalsContact O-CB 3.25Å; A319-S335 WeakPolarHBondContact O-CB 3.38Å; A319-S335 PolarHBondContact O-OG 3.1Å; A319-L337 HydrophobicContact CB-CD1 4.29Å | ||
| 320 | P | 89.1 | Confident | 86.4 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 125.5 | -174.3 | 28.2 | -33 | 0 | 0 | 0 | 110.5 | T273 S274 D289 I294 S318 I323 I333 | T273-P320 CarbonylContact C-O 3.55Å; T273-P320 WeakPolarHBondContact CB-O 3.14Å; T273-P320 PolarHBondContact OG1-O 3.47Å; S274-P320 WeakPolarHBondContact CB-O 3Å; S274-P320 WeakPolarHBondContact OG-CG 3.48Å; D289-P320 WeakPolarHBondContact O-CD 3.32Å; I294-P320 HydrophobicContact CD1-CB 4.36Å; I294-P320 HydrophobicContact CD1-CG 3.73Å; S318-P320 VanDerWaalsContact O-CD 3.24Å; S318-P320 WeakPolarHBondContact O-CD 3.46Å; P320-I323 HydrophobicContact CB-CD1 4.09Å; P320-I323 HydrophobicContact CB-CG1 3.75Å; P320-I323 HydrophobicContact CG-CD1 4.16Å; P320-I323 HydrophobicContact CG-CG1 4.38Å; P320-I333 HydrophobicContact CB-CG2 4.01Å |
| 321 | E | 88.7 | Confident | 86.5 | Confident | 67 Ų | 67 | 24.8 Ų | 24.8 | 31% | 0.313 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -35 | 163.5 | -166.9 | 78.1 | -153.3 | 0 | 0 | 109.4 | A319 G334 R336 | A319-E321 PolarHBondContact O-N 3.45Å; E321-G334 PolarHBondContact N-O 2.95Å; E321-R336 HydrophobicContact CB-CB 4.19Å; E321-R336 HydrophobicContact CG-CB 4.29Å; E321-R336 WeakPolarHBondContact OE2-CB 3.35Å; E321-R336 IonicContact OE2-NE 2.61Å; E321-R336 PolarHBondContact OE2-NE 3.1Å; E321-R336 VanDerWaalsContact OE2-NE 3.11Å |
| 322 | S | 89.1 | Confident | 86.8 | Confident | 5 Ų | 5 | 23.5 Ų | 23.5 | 4% | 0.035 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 140.4 | 177.8 | 61 | 0 | 0 | 0 | 0 | 111.3 | A18 G334 | A18-S322 WeakPolarHBondContact CB-OG 3.46Å; A18-S322 PolarHBondContact N-OG 3.16Å; A18-S322 VanDerWaalsContact N-OG 3.17Å; S322-G334 PolarHBondContact N-O 2.76Å; S322-G334 VanDerWaalsContact N-O 3.12Å; S322-G334 PolarHBondContact O-N 3.45Å |
| 323 | I | 90.5 | Very high | 87.2 | Confident | 7 Ų | 7 | 18.9 Ų | 18.9 | 4% | 0.036 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 127.9 | 174.3 | -58.4 | 176.9 | 0 | 0 | 0 | 108.1 | S274 M286 I294 P320 L331 | S274-I323 WeakPolarHBondContact OG-CD1 3.12Å; M286-I323 HydrophobicContact CB-CG2 4.41Å; I294-I323 HydrophobicContact CD1-CD1 4.22Å; P320-I323 HydrophobicContact CB-CD1 4.09Å; P320-I323 HydrophobicContact CB-CG1 3.75Å; P320-I323 HydrophobicContact CG-CD1 4.16Å; P320-I323 HydrophobicContact CG-CG1 4.38Å; I323-L331 HydrophobicContact CG2-CD1 3.64Å; I323-L331 HydrophobicContact CG2-CD2 4.48Å; I323-L331 HydrophobicContact CG2-CG 4.25Å |
| 324 | C | 89.9 | Confident | 87.7 | Confident | 3 Ų | 3 | 17.6 Ų | 17.6 | 2% | 0.02 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 119 | 179 | -62.8 | 0 | 0 | 0 | 0 | 110.6 | A18 L31 L326 F332 | A18-C324 VanDerWaalsContact C-SG 3.5Å; A18-C324 PolarHBondContact O-SG 3.45Å; L31-C324 HydrophobicContact CD1-CB 4.1Å; C324-L326 HydrophobicContact CB-CD2 4.47Å; C324-F332 HydrophobicContact CB-CB 4.34Å; C324-F332 PolarHBondContact N-O 3.45Å; C324-F332 PolarHBondContact O-N 3.19Å |
| 325 | Y | 88 | Confident | 88.1 | Confident | 28 Ų | 28 | 17.3 Ų | 17.3 | 11% | 0.11 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 132.3 | 169.4 | -178.5 | -111 | 0 | 0 | 0 | 109.8 | S20 I279 N328 G329 L330 L331 M346 | S20-Y325 PolarHBondContact OG-O 2.88Å; I279-Y325 HydrophobicContact CB-CD1 4.44Å; I279-Y325 HydrophobicContact CG1-CG 4.41Å; I279-Y325 HydrophobicContact CG2-CD1 3.84Å; I279-Y325 HydrophobicContact CG2-CD2 4.37Å; I279-Y325 HydrophobicContact CG2-CE1 3.63Å; I279-Y325 HydrophobicContact CG2-CE2 4.2Å; I279-Y325 HydrophobicContact CG2-CG 4.2Å; Y325-N328 PolarHBondContact OH-N 3.28Å; Y325-G329 PolarHBondContact OH-N 2.84Å; Y325-L330 WeakPolarHBondContact CD2-O 3.39Å; Y325-L331 HydrophobicContact CD2-CD1 4.46Å; Y325-M346 HydrophobicContact CE2-CE 4.43Å; Y325-M346 WeakPolarHBondContact OH-CE 3.44Å |
| 326 | L | 88.6 | Confident | 88.5 | Confident | 7 Ų | 7 | 21.7 Ų | 21.7 | 4% | 0.037 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 6.9 | -173 | -58.4 | 179.9 | 0 | 0 | 0 | 112.9 | V29 L31 V44 L49 C324 L330 F332 L342 | V29-L326 HydrophobicContact CG1-CB 4.31Å; V29-L326 HydrophobicContact CG1-CD2 4.31Å; V29-L326 WeakPolarHBondContact CG1-O 3.29Å; L31-L326 HydrophobicContact CB-CD1 4.49Å; L31-L326 HydrophobicContact CB-CD2 4.14Å; L31-L326 HydrophobicContact CD1-CD2 4.23Å; L31-L326 HydrophobicContact CD2-CD1 4.45Å; V44-L326 HydrophobicContact CG2-CB 4.15Å; V44-L326 HydrophobicContact CG2-CD1 4.03Å; V44-L326 HydrophobicContact CG2-CG 4.5Å; L49-L326 HydrophobicContact CD2-CD1 4Å; C324-L326 HydrophobicContact CB-CD2 4.47Å; L326-L330 HydrophobicContact CB-CB 3.97Å; L326-L330 PolarHBondContact N-O 3.47Å; L326-F332 HydrophobicContact CD1-CB 4.14Å; L326-L342 HydrophobicContact CD1-CD1 3.86Å |
| 327 | G | 84.2 | Confident | 88.9 | Confident | 22 Ų | 22 | 21.7 Ų | 21.7 | 23% | 0.227 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 86.1 | 162.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G329 L330 | G327-G329 PolarHBondContact O-N 3.21Å; G327-G329 VanDerWaalsContact O-N 3.15Å; G327-L330 VanDerWaalsContact O-CB 3.3Å; G327-L330 WeakPolarHBondContact O-CB 3.38Å; G327-L330 PolarHBondContact O-N 3.23Å |
| 328 | N | 81.9 | Confident | 89.1 | Confident | 139 Ų | 139 | 21.6 Ų | 21.6 | 74% | 0.743 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 35.5 | 178.9 | -57.4 | -31.8 | 0 | 0 | 0 | 114.8 | Y325 L330 | Y325-N328 PolarHBondContact OH-N 3.28Å; N328-L330 PolarHBondContact O-N 2.79Å |
| 329 | G | 84.7 | Confident | 89.4 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 2.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y325 G327 N344 I345 M346 | Y325-G329 PolarHBondContact OH-N 2.84Å; G327-G329 PolarHBondContact O-N 3.21Å; G327-G329 VanDerWaalsContact O-N 3.15Å; G329-N344 CarbonylContact O-C 3.3Å; G329-N344 WeakPolarHBondContact O-CA 3.34Å; G329-N344 PolarHBondContact O-OD1 3.06Å; G329-I345 VanDerWaalsContact O-CG1 3.28Å; G329-I345 WeakPolarHBondContact O-CG1 3.37Å; G329-I345 PolarHBondContact O-N 2.6Å; G329-M346 VanDerWaalsContact CA-SD 3.59Å |
| 330 | L | 90.1 | Very high | 89.6 | Confident | 3 Ų | 3 | 20.2 Ų | 20.2 | 2% | 0.016 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 123.9 | 176.5 | -62.3 | 175.6 | 0 | 0 | 0 | 111 | V44 N47 Y325 L326 G327 N328 L342 L343 I360 | V44-L330 HydrophobicContact CG1-CD1 3.84Å; N47-L330 HydrophobicContact CB-CD2 4.47Å; Y325-L330 WeakPolarHBondContact CD2-O 3.39Å; L326-L330 HydrophobicContact CB-CB 3.97Å; L326-L330 PolarHBondContact N-O 3.47Å; G327-L330 VanDerWaalsContact O-CB 3.3Å; G327-L330 WeakPolarHBondContact O-CB 3.38Å; G327-L330 PolarHBondContact O-N 3.23Å; N328-L330 PolarHBondContact O-N 2.79Å; L330-L342 HydrophobicContact CB-CD1 4.42Å; L330-L343 CarbonylContact C-O 3.6Å; L330-L343 WeakPolarHBondContact CA-O 3.34Å; L330-I360 HydrophobicContact CD2-CD1 3.15Å |
| 331 | L | 90.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 121 | 177.7 | -172.8 | 73.9 | 0 | 0 | 0 | 109.6 | M286 F315 I323 Y325 I333 L343 I345 | M286-L331 HydrophobicContact CE-CD2 3.9Å; M286-L331 HydrophobicContact SD-CD1 3.77Å; M286-L331 HydrophobicContact SD-CD2 3.92Å; F315-L331 HydrophobicContact CZ-CD2 4.12Å; I323-L331 HydrophobicContact CG2-CD1 3.64Å; I323-L331 HydrophobicContact CG2-CD2 4.48Å; I323-L331 HydrophobicContact CG2-CG 4.25Å; Y325-L331 HydrophobicContact CD2-CD1 4.46Å; L331-I333 HydrophobicContact CD2-CG1 4.39Å; L331-L343 HydrophobicContact CB-CB 4.5Å; L331-L343 PolarHBondContact N-O 2.71Å; L331-L343 PolarHBondContact O-N 2.74Å; L331-I345 HydrophobicContact CB-CD1 4.47Å; L331-I345 HydrophobicContact CB-CG1 4.49Å; L331-I345 HydrophobicContact CB-CG2 4Å; L331-I345 HydrophobicContact CD2-CG2 3.97Å |
| 332 | F | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 128.2 | 171.9 | 179.2 | -101.3 | 0 | 0 | 0 | 110.6 | A18 L31 M33 C324 L326 G334 Y341 L342 F363 | A18-F332 HydrophobicContact CB-CD1 3.9Å; A18-F332 HydrophobicContact CB-CE1 3.65Å; L31-F332 HydrophobicContact CD1-CB 4.32Å; L31-F332 HydrophobicContact CD1-CD1 3.77Å; L31-F332 HydrophobicContact CD1-CE1 4.38Å; L31-F332 HydrophobicContact CD1-CG 4.1Å; L31-F332 HydrophobicContact CD2-CB 4.17Å; L31-F332 HydrophobicContact CD2-CD1 3.91Å; L31-F332 HydrophobicContact CD2-CD2 3.74Å; L31-F332 HydrophobicContact CD2-CE1 4.26Å; L31-F332 HydrophobicContact CD2-CE2 4.11Å; L31-F332 HydrophobicContact CD2-CG 3.63Å; L31-F332 HydrophobicContact CD2-CZ 4.37Å; L31-F332 HydrophobicContact CG-CD1 4.46Å; M33-F332 HydrophobicContact CE-CE1 4.28Å; M33-F332 HydrophobicContact CE-CE2 3.6Å; M33-F332 HydrophobicContact CE-CZ 3.35Å; M33-F332 HydrophobicContact CG-CZ 4.44Å; M33-F332 HydrophobicContact SD-CZ 4.23Å; C324-F332 HydrophobicContact CB-CB 4.34Å; C324-F332 PolarHBondContact N-O 3.45Å; C324-F332 PolarHBondContact O-N 3.19Å; L326-F332 HydrophobicContact CD1-CB 4.14Å; F332-G334 VanDerWaalsContact CE1-CA 3.49Å; F332-Y341 WeakPolarHBondContact CA-O 3.39Å; F332-Y341 WeakPolarHBondContact CD2-O 3.48Å; F332-L342 HydrophobicContact CB-CD1 4.42Å; F332-F363 HydrophobicContact CD2-CE2 4.38Å; F332-F363 AromaticContact CE2-CD2 3.95Å; F332-F363 HydrophobicContact CE2-CD2 3.95Å; F332-F363 AromaticContact CE2-CE2 3.87Å; F332-F363 HydrophobicContact CE2-CE2 3.87Å |
| 333 | I | 92.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 103.6 | 173.7 | -62.7 | -175.2 | 0 | 0 | 0 | 107.7 | I294 F315 A317 P320 L331 S340 Y341 L343 | I294-I333 HydrophobicContact CD1-CD1 4.11Å; I294-I333 HydrophobicContact CG1-CD1 4.1Å; F315-I333 HydrophobicContact CE2-CD1 3.89Å; F315-I333 HydrophobicContact CZ-CD1 4.23Å; A317-I333 HydrophobicContact CB-CD1 3.77Å; P320-I333 HydrophobicContact CB-CG2 4.01Å; L331-I333 HydrophobicContact CD2-CG1 4.39Å; I333-S340 CarbonylContact O-C 3.52Å; I333-S340 VanDerWaalsContact O-CA 3.25Å; I333-S340 WeakPolarHBondContact O-CA 3.47Å; I333-S340 WeakPolarHBondContact O-CB 3.43Å; I333-Y341 PolarHBondContact N-O 3.48Å; I333-Y341 PolarHBondContact O-N 2.99Å; I333-L343 HydrophobicContact CD1-CD1 3.52Å; I333-L343 HydrophobicContact CD1-CG 4.49Å; I333-L343 HydrophobicContact CG1-CD1 4.24Å |
| 334 | G | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 120.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | E321 S322 F332 | E321-G334 PolarHBondContact N-O 2.95Å; S322-G334 PolarHBondContact N-O 2.76Å; S322-G334 VanDerWaalsContact N-O 3.12Å; S322-G334 PolarHBondContact O-N 3.45Å; F332-G334 VanDerWaalsContact CE1-CA 3.49Å |
| 335 | S | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 137.9 | 179.2 | -172.9 | 0 | 0 | 0 | 0 | 111.7 | V15 A319 L337 G338 S340 N365 | V15-S335 PolarHBondContact N-O 3.28Å; A319-S335 VanDerWaalsContact O-CB 3.25Å; A319-S335 WeakPolarHBondContact O-CB 3.38Å; A319-S335 PolarHBondContact O-OG 3.1Å; S335-L337 PolarHBondContact OG-N 2.89Å; S335-G338 VanDerWaalsContact CB-O 3.31Å; S335-G338 WeakPolarHBondContact CB-O 3.3Å; S335-G338 PolarHBondContact OG-N 3.22Å; S335-G338 VanDerWaalsContact OG-N 3.13Å; S335-G338 PolarHBondContact OG-O 2.88Å; S335-S340 PolarHBondContact N-OG 2.88Å; S335-S340 PolarHBondContact O-OG 3.24Å; S335-N365 PolarHBondContact O-ND2 2.77Å |
| 336 | R | 91.7 | Very high | 89.7 | Confident | 96 Ų | 96 | 18.4 Ų | 18.4 | 36% | 0.362 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -88.6 | -27.7 | 170.7 | -167.2 | 176.3 | 64.7 | 87.5 | -3.6 | 112.5 | A14 E321 N365 | A14-R336 HydrophobicContact CB-CG 3.95Å; E321-R336 HydrophobicContact CB-CB 4.19Å; E321-R336 HydrophobicContact CG-CB 4.29Å; E321-R336 WeakPolarHBondContact OE2-CB 3.35Å; E321-R336 IonicContact OE2-NE 2.61Å; E321-R336 PolarHBondContact OE2-NE 3.1Å; E321-R336 VanDerWaalsContact OE2-NE 3.11Å; R336-N365 PolarHBondContact O-ND2 2.71Å; R336-N365 VanDerWaalsContact O-ND2 3.12Å |
| 337 | L | 90.2 | Very high | 89.3 | Confident | 27 Ų | 27 | 19.5 Ų | 19.5 | 14% | 0.141 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -102.9 | -8.2 | -171 | -61.4 | 178.9 | 0 | 0 | 0 | 114.3 | A319 S335 G367 P368 G390 H391 | A319-L337 HydrophobicContact CB-CD1 4.29Å; S335-L337 PolarHBondContact OG-N 2.89Å; L337-G367 CarbonylContact C-O 3.58Å; L337-P368 HydrophobicContact CD2-CG 4.3Å; L337-G390 WeakPolarHBondContact O-CA 3.4Å; L337-H391 HydrophobicContact CB-CB 4.17Å; L337-H391 HydrophobicContact CD1-CB 4.2Å |
| 338 | G | 89.1 | Confident | 89 | Confident | 12 Ų | 12 | 26.7 Ų | 26.7 | 12% | 0.124 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -160.6 | -171 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S335 N365 | S335-G338 VanDerWaalsContact CB-O 3.31Å; S335-G338 WeakPolarHBondContact CB-O 3.3Å; S335-G338 PolarHBondContact OG-N 3.22Å; S335-G338 VanDerWaalsContact OG-N 3.13Å; S335-G338 PolarHBondContact OG-O 2.88Å; G338-N365 PolarHBondContact N-ND2 2.98Å; G338-N365 WeakPolarHBondContact O-CB 3.36Å; G338-N365 PolarHBondContact O-ND2 3.32Å |
| 339 | D | 91.3 | Very high | 88.8 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | trans | -61.6 | 145.4 | -178.5 | -55.7 | -50.7 | 0 | 0 | 0 | 111 | S318 Y341 E362 F363 S364 N365 R742 | S318-D339 VanDerWaalsContact CB-O 3.25Å; S318-D339 WeakPolarHBondContact CB-O 3.46Å; S318-D339 PolarHBondContact OG-O 2.94Å; D339-Y341 HydrophobicContact CB-CE1 4.4Å; D339-Y341 HydrophobicContact CB-CE2 4.35Å; D339-Y341 VanDerWaalsContact O-CE2 3.23Å; D339-Y341 WeakPolarHBondContact O-CE2 3.43Å; D339-E362 HydrophobicContact CB-CG 4.17Å; D339-F363 WeakPolarHBondContact CA-O 3.25Å; D339-S364 WeakPolarHBondContact OD1-CA 3.45Å; D339-N365 PolarHBondContact OD1-N 3.3Å; D339-R742 IonicContact OD2-CZ 3.52Å; D339-R742 IonicContact OD2-NE 3.84Å; D339-R742 PolarHBondContact OD2-NE 3.08Å; D339-R742 IonicContact OD2-NH2 3.36Å; D339-R742 PolarHBondContact OD2-NH2 2.77Å | ||
| 340 | S | 92.7 | Very high | 88.3 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 151.3 | 175.2 | -58 | 0 | 0 | 0 | 0 | 110 | V15 I333 S335 F363 | V15-S340 WeakPolarHBondContact CG2-OG 3.19Å; I333-S340 CarbonylContact O-C 3.52Å; I333-S340 VanDerWaalsContact O-CA 3.25Å; I333-S340 WeakPolarHBondContact O-CA 3.47Å; I333-S340 WeakPolarHBondContact O-CB 3.43Å; S335-S340 PolarHBondContact N-OG 2.88Å; S335-S340 PolarHBondContact O-OG 3.24Å; S340-F363 PolarHBondContact N-O 3.42Å; S340-F363 PolarHBondContact O-N 3.03Å |
| 341 | Y | 92.5 | Very high | 87.7 | Confident | 8 Ų | 8 | 32.5 Ų | 32.5 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 143.8 | -172.8 | -57.5 | -80.5 | 0 | 0 | 0 | 112.6 | S318 F332 I333 D339 L343 V359 E361 E362 L781 | S318-Y341 WeakPolarHBondContact OG-CE2 3.38Å; F332-Y341 WeakPolarHBondContact CA-O 3.39Å; F332-Y341 WeakPolarHBondContact CD2-O 3.48Å; I333-Y341 PolarHBondContact N-O 3.48Å; I333-Y341 PolarHBondContact O-N 2.99Å; D339-Y341 HydrophobicContact CB-CE1 4.4Å; D339-Y341 HydrophobicContact CB-CE2 4.35Å; D339-Y341 VanDerWaalsContact O-CE2 3.23Å; D339-Y341 WeakPolarHBondContact O-CE2 3.43Å; Y341-L343 HydrophobicContact CG-CD2 4.48Å; Y341-V359 HydrophobicContact CD1-CG1 3.96Å; Y341-E361 WeakPolarHBondContact CA-O 3.5Å; Y341-E362 HydrophobicContact CD1-CB 4.19Å; Y341-E362 HydrophobicContact CD1-CG 4.1Å; Y341-E362 HydrophobicContact CE1-CB 4.23Å; Y341-E362 HydrophobicContact CE1-CG 3.72Å; Y341-L781 HydrophobicContact CE1-CD2 3.82Å; Y341-L781 HydrophobicContact CE2-CD1 4.48Å |
| 342 | L | 93.4 | Very high | 87.2 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 119.8 | 158.4 | -177.7 | 68.1 | 0 | 0 | 0 | 108.3 | L49 L326 L330 F332 I360 E361 F363 | L49-L342 HydrophobicContact CD1-CB 4.46Å; L49-L342 HydrophobicContact CD1-CD1 4.19Å; L49-L342 HydrophobicContact CD1-CD2 4Å; L49-L342 HydrophobicContact CD1-CG 4.45Å; L49-L342 HydrophobicContact CG-CD2 3.94Å; L326-L342 HydrophobicContact CD1-CD1 3.86Å; L330-L342 HydrophobicContact CB-CD1 4.42Å; F332-L342 HydrophobicContact CB-CD1 4.42Å; L342-I360 HydrophobicContact CD2-CB 4.25Å; L342-I360 HydrophobicContact CD2-CD1 4.46Å; L342-I360 HydrophobicContact CD2-CG2 4.21Å; L342-I360 HydrophobicContact CG-CB 4.31Å; L342-I360 HydrophobicContact CG-CD1 4.34Å; L342-I360 PolarHBondContact O-N 3.27Å; L342-E361 HydrophobicContact CB-CB 4Å; L342-E361 HydrophobicContact CD2-CB 4.41Å; L342-E361 PolarHBondContact N-O 3.32Å; L342-E361 PolarHBondContact O-N 3.02Å; L342-F363 HydrophobicContact CB-CE2 4.45Å |
| 343 | L | 91.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 149.7 | -176.4 | -54.5 | -178.8 | 0 | 0 | 0 | 110.8 | F315 L330 L331 I333 Y341 I345 V357 K358 V359 L778 | F315-L343 HydrophobicContact CE2-CD1 3.54Å; F315-L343 HydrophobicContact CZ-CD1 3.66Å; L330-L343 CarbonylContact C-O 3.6Å; L330-L343 WeakPolarHBondContact CA-O 3.34Å; L331-L343 HydrophobicContact CB-CB 4.5Å; L331-L343 PolarHBondContact N-O 2.71Å; L331-L343 PolarHBondContact O-N 2.74Å; I333-L343 HydrophobicContact CD1-CD1 3.52Å; I333-L343 HydrophobicContact CD1-CG 4.49Å; I333-L343 HydrophobicContact CG1-CD1 4.24Å; Y341-L343 HydrophobicContact CG-CD2 4.48Å; L343-I345 HydrophobicContact CB-CG2 4.39Å; L343-V357 HydrophobicContact CB-CG1 4.24Å; L343-V357 HydrophobicContact CD1-CG1 4.13Å; L343-K358 CarbonylContact C-O 3.57Å; L343-K358 WeakPolarHBondContact CA-O 3.48Å; L343-V359 HydrophobicContact CD2-CB 4.23Å; L343-V359 HydrophobicContact CD2-CG1 4.44Å; L343-V359 HydrophobicContact CD2-CG2 3.78Å; L343-L778 HydrophobicContact CD1-CD1 4.37Å |
| 344 | N | 89.7 | Confident | 85.5 | Confident | 39 Ų | 39 | 37.2 Ų | 37.2 | 21% | 0.209 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 121.8 | 158 | -173.4 | -0.8 | 0 | 0 | 0 | 108.8 | G329 M346 V357 K358 I360 | G329-N344 CarbonylContact O-C 3.3Å; G329-N344 WeakPolarHBondContact O-CA 3.34Å; G329-N344 PolarHBondContact O-OD1 3.06Å; N344-M346 PolarHBondContact OD1-N 3.26Å; N344-M346 PolarHBondContact OD1-O 2.92Å; N344-V357 VanDerWaalsContact O-CA 3.25Å; N344-V357 WeakPolarHBondContact O-CA 3.46Å; N344-K358 PolarHBondContact N-O 2.87Å; N344-K358 PolarHBondContact O-N 3.4Å; N344-I360 HydrophobicContact CB-CD1 3.84Å; N344-I360 HydrophobicContact CB-CG1 4.24Å |
| 345 | I | 86.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -105.3 | -4.2 | -178.9 | 61.3 | 163.2 | 0 | 0 | 0 | 114 | M286 F315 G329 L331 L343 I352 N353 V357 | M286-I345 HydrophobicContact CE-CD1 4.42Å; M286-I345 HydrophobicContact SD-CD1 4.47Å; F315-I345 HydrophobicContact CE1-CG2 4.05Å; F315-I345 HydrophobicContact CZ-CG2 4.3Å; G329-I345 VanDerWaalsContact O-CG1 3.28Å; G329-I345 WeakPolarHBondContact O-CG1 3.37Å; G329-I345 PolarHBondContact O-N 2.6Å; L331-I345 HydrophobicContact CB-CD1 4.47Å; L331-I345 HydrophobicContact CB-CG1 4.49Å; L331-I345 HydrophobicContact CB-CG2 4Å; L331-I345 HydrophobicContact CD2-CG2 3.97Å; L343-I345 HydrophobicContact CB-CG2 4.39Å; I345-I352 HydrophobicContact CD1-CD1 4.27Å; I345-I352 HydrophobicContact CD1-CG1 4.21Å; I345-N353 PolarHBondContact O-N 2.94Å; I345-V357 HydrophobicContact CB-CG2 4.42Å; I345-V357 HydrophobicContact CG2-CG1 4.11Å; I345-V357 HydrophobicContact CG2-CG2 4.23Å | ||
| 346 | M | 83.5 | Confident | 83.7 | Confident | 26 Ų | 26 | 44.1 Ų | 44.1 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -100.7 | 142.6 | -179.8 | -71.8 | -175.5 | -174 | 0 | 0 | 111.6 | Y325 G329 N344 N350 T351 | Y325-M346 HydrophobicContact CE2-CE 4.43Å; Y325-M346 WeakPolarHBondContact OH-CE 3.44Å; G329-M346 VanDerWaalsContact CA-SD 3.59Å; N344-M346 PolarHBondContact OD1-N 3.26Å; N344-M346 PolarHBondContact OD1-O 2.92Å; M346-N350 HydrophobicContact SD-CB 4.43Å; M346-T351 WeakPolarHBondContact CA-O 3.21Å |
| 347 | D | 79.9 | Confident | 83.3 | Confident | 30 Ų | 30 | 40.3 Ų | 40.3 | 16% | 0.16 | 23% | 0.228 | C | C | . | . | trans | -83.1 | 179.3 | 168.3 | 67.8 | 10.8 | 0 | 0 | 0 | 112.2 | T349 N350 T351 N353 C356 | D347-T349 VanDerWaalsContact CG-OG1 3.26Å; D347-T349 PolarHBondContact O-N 2.86Å; D347-T349 WeakPolarHBondContact OD1-CA 3.47Å; D347-T349 WeakPolarHBondContact OD1-CB 3.47Å; D347-T349 PolarHBondContact OD1-N 2.95Å; D347-T349 PolarHBondContact OD1-OG1 3.27Å; D347-T349 PolarHBondContact OD2-OG1 2.96Å; D347-N350 PolarHBondContact O-N 3.36Å; D347-N350 PolarHBondContact OD1-N 3.07Å; D347-T351 PolarHBondContact N-O 2.92Å; D347-T351 PolarHBondContact OD1-N 3.49Å; D347-T351 PolarHBondContact OD1-OG1 3.12Å; D347-T351 PolarHBondContact OD2-OG1 3.45Å; D347-T351 VanDerWaalsContact OD2-OG1 3.11Å; D347-N353 HydrophobicContact CB-CB 4.09Å; D347-C356 HydrophobicContact CB-CB 4.11Å | ||
| 348 | D | 77.1 | Confident | 83.2 | Confident | 172 Ų | 172 | 44.9 Ų | 44.9 | 92% | 0.92 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -12.2 | 178.5 | -61.6 | -28 | 0 | 0 | 0 | 113.2 | ||
| 349 | T | 78.2 | Confident | 83.1 | Confident | 96 Ų | 96 | 46.1 Ų | 46.1 | 59% | 0.589 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 5.5 | 176.2 | 74.3 | 0 | 0 | 0 | 0 | 113.3 | D347 T351 | D347-T349 VanDerWaalsContact CG-OG1 3.26Å; D347-T349 PolarHBondContact O-N 2.86Å; D347-T349 WeakPolarHBondContact OD1-CA 3.47Å; D347-T349 WeakPolarHBondContact OD1-CB 3.47Å; D347-T349 PolarHBondContact OD1-N 2.95Å; D347-T349 PolarHBondContact OD1-OG1 3.27Å; D347-T349 PolarHBondContact OD2-OG1 2.96Å; T349-T351 PolarHBondContact O-N 3.5Å; T349-T351 PolarHBondContact OG1-OG1 2.98Å; T349-T351 VanDerWaalsContact OG1-OG1 3.12Å |
| 350 | N | 74.9 | Confident | 83.1 | Confident | 109 Ų | 109 | 48.7 Ų | 48.7 | 58% | 0.583 | 27% | 0.265 | S | S | * | . | S | Bend | trans | 56.4 | 34.9 | -174.5 | -63.4 | -35.7 | 0 | 0 | 0 | 112.8 | R282 M346 D347 | R282-N350 PolarHBondContact NH1-O 3.45Å; R282-N350 VanDerWaalsContact NH1-O 3.12Å; M346-N350 HydrophobicContact SD-CB 4.43Å; D347-N350 PolarHBondContact O-N 3.36Å; D347-N350 PolarHBondContact OD1-N 3.07Å |
| 351 | T | 78.3 | Confident | 82.9 | Confident | 60 Ų | 60 | 51.8 Ų | 51.8 | 37% | 0.368 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -109.6 | 145.5 | 169.4 | 68.7 | 0 | 0 | 0 | 0 | 109.7 | M346 D347 T349 N353 | M346-T351 WeakPolarHBondContact CA-O 3.21Å; D347-T351 PolarHBondContact N-O 2.92Å; D347-T351 PolarHBondContact OD1-N 3.49Å; D347-T351 PolarHBondContact OD1-OG1 3.12Å; D347-T351 PolarHBondContact OD2-OG1 3.45Å; D347-T351 VanDerWaalsContact OD2-OG1 3.11Å; T349-T351 PolarHBondContact O-N 3.5Å; T349-T351 PolarHBondContact OG1-OG1 2.98Å; T349-T351 VanDerWaalsContact OG1-OG1 3.12Å; T351-N353 PolarHBondContact O-N 3.16Å |
| 352 | I | 78.2 | Confident | 82.7 | Confident | 35 Ų | 35 | 55.7 Ų | 55.7 | 18% | 0.179 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -68.6 | 117.2 | 174.8 | -62.1 | 174.3 | 0 | 0 | 0 | 106.2 | I279 F284 L296 L314 I345 | I279-I352 HydrophobicContact CD1-CD1 3.76Å; F284-I352 HydrophobicContact CD2-CD1 4.35Å; L296-I352 HydrophobicContact CD1-CD1 4.49Å; L314-I352 HydrophobicContact CD1-CG2 3.89Å; L314-I352 HydrophobicContact CD2-CG2 4.37Å; I345-I352 HydrophobicContact CD1-CD1 4.27Å; I345-I352 HydrophobicContact CD1-CG1 4.21Å |
| 353 | N | 77.7 | Confident | 82.6 | Confident | 41 Ų | 41 | 57.1 Ų | 57.1 | 22% | 0.219 | 30% | 0.304 | C | S | . | . | trans | -128.6 | 111.5 | -179.7 | -174.3 | -16.6 | 0 | 0 | 0 | 109 | I345 D347 T351 D355 C356 | I345-N353 PolarHBondContact O-N 2.94Å; D347-N353 HydrophobicContact CB-CB 4.09Å; T351-N353 PolarHBondContact O-N 3.16Å; N353-D355 PolarHBondContact O-N 3.47Å; N353-D355 PolarHBondContact OD1-N 3.21Å; N353-C356 HydrophobicContact CB-CB 4.1Å; N353-C356 PolarHBondContact ND2-SG 3.09Å; N353-C356 PolarHBondContact O-N 3.25Å | ||
| 354 | P | 72.7 | Confident | 82.5 | Confident | 23 Ų | 23 | 59.8 Ų | 59.8 | 15% | 0.149 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -60.1 | -27.9 | -178.2 | 23.5 | -32.3 | 0 | 0 | 0 | 113 | L314 C356 | L314-P354 HydrophobicContact CB-CB 4.28Å; L314-P354 HydrophobicContact CD2-CB 4.35Å; L314-P354 HydrophobicContact CD2-CG 4.48Å; L314-P354 WeakPolarHBondContact O-CB 3.14Å; P354-C356 VanDerWaalsContact C-N 3.25Å; P354-C356 PolarHBondContact O-N 3.05Å |
| 355 | D | 73.6 | Confident | 82.6 | Confident | 99 Ų | 99 | 58.1 Ų | 58.1 | 53% | 0.529 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -78.5 | -10.2 | -179.7 | -60.2 | -34.3 | 0 | 0 | 0 | 112.6 | N353 R776 | N353-D355 PolarHBondContact O-N 3.47Å; N353-D355 PolarHBondContact OD1-N 3.21Å; D355-R776 IonicContact OD1-CZ 2.98Å; D355-R776 IonicContact OD1-NE 2.67Å; D355-R776 PolarHBondContact OD1-NE 3.09Å |
| 356 | C | 75.9 | Confident | 82.9 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 32% | 0.318 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -110.9 | 7.9 | -176.8 | -65.5 | 0 | 0 | 0 | 0 | 114 | D347 N353 P354 K358 | D347-C356 HydrophobicContact CB-CB 4.11Å; N353-C356 HydrophobicContact CB-CB 4.1Å; N353-C356 PolarHBondContact ND2-SG 3.09Å; N353-C356 PolarHBondContact O-N 3.25Å; P354-C356 VanDerWaalsContact C-N 3.25Å; P354-C356 PolarHBondContact O-N 3.05Å; C356-K358 PolarHBondContact O-N 3.16Å |
| 357 | V | 83 | Confident | 83.2 | Confident | 15 Ų | 15 | 57 Ų | 57 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | trans | -69.1 | 127.5 | -177.8 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | F315 L343 N344 I345 L778 | F315-V357 HydrophobicContact CD1-CB 4.46Å; F315-V357 HydrophobicContact CD1-CG1 4.34Å; F315-V357 HydrophobicContact CD1-CG2 3.73Å; F315-V357 HydrophobicContact CE1-CG1 4.2Å; F315-V357 HydrophobicContact CE1-CG2 3.96Å; F315-V357 HydrophobicContact CG-CG2 4.49Å; F315-V357 HydrophobicContact CZ-CG1 4.35Å; L343-V357 HydrophobicContact CB-CG1 4.24Å; L343-V357 HydrophobicContact CD1-CG1 4.13Å; N344-V357 VanDerWaalsContact O-CA 3.25Å; N344-V357 WeakPolarHBondContact O-CA 3.46Å; I345-V357 HydrophobicContact CB-CG2 4.42Å; I345-V357 HydrophobicContact CG2-CG1 4.11Å; I345-V357 HydrophobicContact CG2-CG2 4.23Å; V357-L778 HydrophobicContact CB-CD2 3.35Å; V357-L778 HydrophobicContact CG1-CD1 4.44Å; V357-L778 HydrophobicContact CG1-CD2 3.34Å; V357-L778 HydrophobicContact CG2-CD2 4.3Å | ||
| 358 | K | 86.4 | Confident | 84 | Confident | 124 Ų | 124 | 56.3 Ų | 56.3 | 54% | 0.539 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139.9 | -177.2 | -68.3 | 176 | -176.5 | 173.8 | 0 | 111.5 | L343 N344 C356 | L343-K358 CarbonylContact C-O 3.57Å; L343-K358 WeakPolarHBondContact CA-O 3.48Å; N344-K358 PolarHBondContact N-O 2.87Å; N344-K358 PolarHBondContact O-N 3.4Å; C356-K358 PolarHBondContact O-N 3.16Å |
| 359 | V | 88.3 | Confident | 84.9 | Confident | 38 Ų | 38 | 48.1 Ų | 48.1 | 23% | 0.23 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 120.1 | 172.1 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | Y341 L343 E780 L781 | Y341-V359 HydrophobicContact CD1-CG1 3.96Å; L343-V359 HydrophobicContact CD2-CB 4.23Å; L343-V359 HydrophobicContact CD2-CG1 4.44Å; L343-V359 HydrophobicContact CD2-CG2 3.78Å; V359-E780 HydrophobicContact CG2-CB 4.44Å; V359-E780 PolarHBondContact N-OE2 3.47Å; V359-L781 HydrophobicContact CG2-CD1 4.41Å; V359-L781 HydrophobicContact CG2-CD2 4.3Å; V359-L781 HydrophobicContact CG2-CG 4.21Å |
| 360 | I | 90.1 | Very high | 85.7 | Confident | 58 Ų | 58 | 45 Ų | 45 | 30% | 0.297 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -44.4 | 175.6 | -60 | 165.9 | 0 | 0 | 0 | 110.9 | N47 L330 L342 N344 | N47-I360 HydrophobicContact CB-CD1 4.45Å; N47-I360 VanDerWaalsContact O-CG2 3.26Å; N47-I360 WeakPolarHBondContact O-CG2 3.39Å; L330-I360 HydrophobicContact CD2-CD1 3.15Å; L342-I360 HydrophobicContact CD2-CB 4.25Å; L342-I360 HydrophobicContact CD2-CD1 4.46Å; L342-I360 HydrophobicContact CD2-CG2 4.21Å; L342-I360 HydrophobicContact CG-CB 4.31Å; L342-I360 HydrophobicContact CG-CD1 4.34Å; L342-I360 PolarHBondContact O-N 3.27Å; N344-I360 HydrophobicContact CB-CD1 3.84Å; N344-I360 HydrophobicContact CB-CG1 4.24Å |
| 361 | E | 89.4 | Confident | 86.7 | Confident | 67 Ų | 67 | 41.1 Ų | 41.1 | 31% | 0.313 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 140.2 | -176.6 | -162.8 | 170 | 177.5 | 0 | 0 | 110.3 | Y341 L342 F363 | Y341-E361 WeakPolarHBondContact CA-O 3.5Å; L342-E361 HydrophobicContact CB-CB 4Å; L342-E361 HydrophobicContact CD2-CB 4.41Å; L342-E361 PolarHBondContact N-O 3.32Å; L342-E361 PolarHBondContact O-N 3.02Å; E361-F363 HydrophobicContact CB-CE2 4.33Å; E361-F363 HydrophobicContact CG-CE2 4.17Å; E361-F363 HydrophobicContact CG-CZ 4Å |
| 362 | E | 89.4 | Confident | 87.4 | Confident | 90 Ų | 90 | 38.5 Ų | 38.5 | 42% | 0.421 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 133.9 | 177.5 | 179.6 | -178.3 | 162.6 | 0 | 0 | 109.3 | D339 Y341 R742 | D339-E362 HydrophobicContact CB-CG 4.17Å; Y341-E362 HydrophobicContact CD1-CB 4.19Å; Y341-E362 HydrophobicContact CD1-CG 4.1Å; Y341-E362 HydrophobicContact CE1-CB 4.23Å; Y341-E362 HydrophobicContact CE1-CG 3.72Å; E362-R742 IonicContact OE1-CZ 2.87Å |
| 363 | F | 90.2 | Very high | 88.1 | Confident | 30 Ų | 30 | 38.6 Ų | 38.6 | 13% | 0.132 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 109.3 | 176.5 | -58.1 | -90.6 | 0 | 0 | 0 | 109 | M33 F42 L49 F332 D339 S340 L342 E361 | M33-F363 HydrophobicContact CE-CD1 4.32Å; M33-F363 HydrophobicContact CE-CE1 4.32Å; M33-F363 HydrophobicContact CE-CG 4.46Å; M33-F363 HydrophobicContact CE-CZ 4.46Å; F42-F363 HydrophobicContact CZ-CE1 4.41Å; L49-F363 HydrophobicContact CD1-CE2 4.2Å; L49-F363 HydrophobicContact CD1-CZ 3.81Å; F332-F363 HydrophobicContact CD2-CE2 4.38Å; F332-F363 AromaticContact CE2-CD2 3.95Å; F332-F363 HydrophobicContact CE2-CD2 3.95Å; F332-F363 AromaticContact CE2-CE2 3.87Å; F332-F363 HydrophobicContact CE2-CE2 3.87Å; D339-F363 WeakPolarHBondContact CA-O 3.25Å; S340-F363 PolarHBondContact N-O 3.42Å; S340-F363 PolarHBondContact O-N 3.03Å; L342-F363 HydrophobicContact CB-CE2 4.45Å; E361-F363 HydrophobicContact CB-CE2 4.33Å; E361-F363 HydrophobicContact CG-CE2 4.17Å; E361-F363 HydrophobicContact CG-CZ 4Å |
| 364 | S | 88.8 | Confident | 88.7 | Confident | 57 Ų | 57 | 38.6 Ų | 38.6 | 40% | 0.399 | 21% | 0.206 | S | C | . | . | trans | -60.9 | 135.4 | -177.3 | -179.7 | 0 | 0 | 0 | 0 | 112.5 | D339 | D339-S364 WeakPolarHBondContact OD1-CA 3.45Š| ||
| 365 | N | 91.8 | Very high | 89.2 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | trans | -125.4 | 120.6 | 176.6 | -173 | 12 | 0 | 0 | 0 | 111.6 | T13 A14 S335 R336 G338 D339 G367 H398 | T13-N365 PolarHBondContact OG1-OD1 2.86Å; A14-N365 WeakPolarHBondContact CA-OD1 3.38Å; A14-N365 PolarHBondContact N-OD1 2.89Å; S335-N365 PolarHBondContact O-ND2 2.77Å; R336-N365 PolarHBondContact O-ND2 2.71Å; R336-N365 VanDerWaalsContact O-ND2 3.12Å; G338-N365 PolarHBondContact N-ND2 2.98Å; G338-N365 WeakPolarHBondContact O-CB 3.36Å; G338-N365 PolarHBondContact O-ND2 3.32Å; D339-N365 PolarHBondContact OD1-N 3.3Å; N365-G367 VanDerWaalsContact C-N 3.35Å; N365-G367 PolarHBondContact ND2-O 3.01Å; N365-G367 WeakPolarHBondContact OD1-CA 3.38Å; N365-G367 PolarHBondContact OD1-N 3.23Å; N365-H398 PolarHBondContact O-CE1 2.96Å | ||
| 366 | L | 93.1 | Very high | 89.3 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | trans | -88.1 | -6.1 | 171.8 | -68.6 | 87.7 | 0 | 0 | 0 | 112.1 | T13 P368 I369 T389 H398 V400 V740 L1076 | T13-L366 HydrophobicContact CG2-CD1 3.84Å; T13-L366 PolarHBondContact OG1-N 3.29Å; L366-P368 CarbonylContact O-C 3.57Å; L366-I369 HydrophobicContact CB-CD1 4.49Å; L366-I369 HydrophobicContact CB-CG1 4.43Å; L366-I369 WeakPolarHBondContact O-CG1 3.27Å; L366-I369 PolarHBondContact O-N 3.16Å; L366-T389 HydrophobicContact CB-CG2 4.45Å; L366-T389 WeakPolarHBondContact O-CG2 3.4Å; L366-H398 HydrophobicContact CD2-CB 4.37Å; L366-V400 HydrophobicContact CD2-CG2 4.14Å; L366-V740 HydrophobicContact CD1-CG1 4.21Å; L366-V740 HydrophobicContact CD2-CG1 4.06Å; L366-V740 HydrophobicContact CD2-CG2 4.43Å; L366-V740 HydrophobicContact CG-CG1 4.31Å; L366-L1076 HydrophobicContact CD2-CD1 4.48Å | ||
| 367 | G | 90.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | trans | -86.5 | 138.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L337 N365 G1074 | L337-G367 CarbonylContact C-O 3.58Å; N365-G367 VanDerWaalsContact C-N 3.35Å; N365-G367 PolarHBondContact ND2-O 3.01Å; N365-G367 WeakPolarHBondContact OD1-CA 3.38Å; N365-G367 PolarHBondContact OD1-N 3.23Å; G367-G1074 VanDerWaalsContact CA-CA 3.46Å; G367-G1074 VanDerWaalsContact N-CA 3.32Å | ||
| 368 | P | 95.9 | Very high | 87.4 | Confident | 16 Ų | 16 | 38 Ų | 38 | 10% | 0.104 | 19% | 0.194 | C | C | . | . | S | Bend | cis | -81.3 | 136.1 | -7.7 | 31.4 | -33.6 | 0 | 0 | 0 | 112.4 | L337 L366 V370 T389 G390 A1072 | L337-P368 HydrophobicContact CD2-CG 4.3Å; L366-P368 CarbonylContact O-C 3.57Å; P368-V370 HydrophobicContact CB-CG2 4.16Å; P368-V370 HydrophobicContact CG-CG2 4.07Å; P368-V370 PolarHBondContact O-N 2.86Å; P368-T389 WeakPolarHBondContact O-CA 3.49Å; P368-G390 WeakPolarHBondContact CG-O 3.32Å; P368-A1072 VanDerWaalsContact CA-O 3.29Å; P368-A1072 WeakPolarHBondContact CA-O 3.42Å |
| 369 | I | 96.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 108.9 | 167 | -59.8 | -178.7 | 0 | 0 | 0 | 107.9 | L366 V387 T389 N1044 T1071 S1075 L1076 | L366-I369 HydrophobicContact CB-CD1 4.49Å; L366-I369 HydrophobicContact CB-CG1 4.43Å; L366-I369 WeakPolarHBondContact O-CG1 3.27Å; L366-I369 PolarHBondContact O-N 3.16Å; I369-V387 HydrophobicContact CB-CG1 3.91Å; I369-V387 HydrophobicContact CD1-CG1 3.9Å; I369-V387 HydrophobicContact CG1-CG1 3.62Å; I369-V387 HydrophobicContact CG2-CG1 3.33Å; I369-T389 HydrophobicContact CG1-CG2 4.43Å; I369-N1044 WeakPolarHBondContact O-CB 3.44Å; I369-N1044 PolarHBondContact O-ND2 3.4Å; I369-T1071 WeakPolarHBondContact CB-O 3.47Å; I369-T1071 PolarHBondContact N-O 2.95Å; I369-T1071 VanDerWaalsContact N-O 3.08Å; I369-S1075 WeakPolarHBondContact CD1-O 3.42Å; I369-L1076 HydrophobicContact CD1-CD2 3.64Å; I369-L1076 HydrophobicContact CD1-CG 3.92Å |
| 370 | V | 94.8 | Very high | 84.1 | Confident | 31 Ų | 31 | 40.4 Ų | 40.4 | 19% | 0.188 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -31.4 | -173.4 | 179.8 | 0 | 0 | 0 | 0 | 112.3 | P368 C388 F748 R751 | P368-V370 HydrophobicContact CB-CG2 4.16Å; P368-V370 HydrophobicContact CG-CG2 4.07Å; P368-V370 PolarHBondContact O-N 2.86Å; V370-C388 PolarHBondContact N-O 3.1Å; V370-F748 HydrophobicContact CB-CE2 4.34Å; V370-F748 HydrophobicContact CB-CZ 4.26Å; V370-F748 HydrophobicContact CG1-CZ 4.05Å; V370-F748 HydrophobicContact CG2-CE2 3.8Å; V370-F748 HydrophobicContact CG2-CZ 3.81Å; V370-R751 PolarHBondContact O-NH1 2.85Å |
| 371 | D | 95.3 | Very high | 82.5 | Confident | 26 Ų | 26 | 42 Ų | 42 | 14% | 0.139 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 156.7 | 174.7 | -163.1 | 13.4 | 0 | 0 | 0 | 109.1 | C388 R751 I752 | D371-C388 HydrophobicContact CB-CB 4.1Å; D371-C388 PolarHBondContact O-N 3.26Å; D371-R751 WeakPolarHBondContact OD2-CA 3.43Å; D371-R751 WeakPolarHBondContact OD2-CD 3.39Å; D371-I752 PolarHBondContact OD2-N 3.08Å |
| 372 | M | 94.5 | Very high | 81 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.025 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 150.2 | 175 | 72.2 | -177 | 170.9 | 0 | 0 | 111.9 | I385 V386 C1045 E1047 V1068 L1076 | M372-I385 HydrophobicContact CB-CG2 4.03Å; M372-I385 HydrophobicContact SD-CG2 4.36Å; M372-V386 CarbonylContact C-O 3.44Å; M372-V386 VanDerWaalsContact CA-O 3.28Å; M372-V386 WeakPolarHBondContact CA-O 3.48Å; M372-C1045 HydrophobicContact CE-CB 4.31Å; M372-C1045 HydrophobicContact CG-CB 4.42Å; M372-E1047 HydrophobicContact CE-CB 3.77Å; M372-E1047 HydrophobicContact CE-CG 3.77Å; M372-E1047 VanDerWaalsContact CE-N 3.31Å; M372-E1047 HydrophobicContact CG-CG 3.83Å; M372-V1068 HydrophobicContact CE-CB 4.46Å; M372-V1068 HydrophobicContact CE-CG1 4.44Å; M372-V1068 WeakPolarHBondContact CE-O 3.49Å; M372-V1068 HydrophobicContact SD-CG1 4.4Å; M372-L1076 HydrophobicContact SD-CD2 4.32Å |
| 373 | L | 92.7 | Very high | 80.2 | Confident | 38 Ų | 38 | 38.6 Ų | 38.6 | 20% | 0.199 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 127.6 | 176.9 | -176.9 | 74.9 | 0 | 0 | 0 | 109.9 | V375 I385 V386 I752 Q754 Y761 | L373-V375 HydrophobicContact CB-CG2 4.43Å; L373-V375 HydrophobicContact CD2-CG2 3.51Å; L373-V375 HydrophobicContact CG-CG2 3.78Å; L373-I385 CarbonylContact O-C 3.58Å; L373-I385 WeakPolarHBondContact O-CA 3.27Å; L373-V386 PolarHBondContact N-O 3.42Å; L373-V386 PolarHBondContact O-N 3.08Å; L373-I752 HydrophobicContact CB-CG2 4.01Å; L373-Q754 HydrophobicContact CD2-CB 3.4Å; L373-Q754 VanDerWaalsContact CD2-CB 3.4Å; L373-Q754 HydrophobicContact CD2-CG 4.44Å; L373-Y761 HydrophobicContact CD2-CD1 4.13Å; L373-Y761 HydrophobicContact CD2-CE1 3.84Å |
| 374 | L | 89 | Confident | 79.8 | Confident | 40 Ų | 40 | 38.5 Ų | 38.5 | 21% | 0.209 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 119.7 | 169.8 | -156.4 | 104.1 | 0 | 0 | 0 | 109.4 | K383 I385 V1068 | L374-K383 HydrophobicContact CD2-CD 4.11Å; L374-I385 HydrophobicContact CD1-CG1 3.99Å; L374-V1068 HydrophobicContact CD1-CG2 4.18Å |
| 375 | V | 83.8 | Confident | 79.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 131.4 | -173.6 | -179 | 0 | 0 | 0 | 0 | 110.5 | L373 L377 K383 Q384 V386 Y761 | L373-V375 HydrophobicContact CB-CG2 4.43Å; L373-V375 HydrophobicContact CD2-CG2 3.51Å; L373-V375 HydrophobicContact CG-CG2 3.78Å; V375-L377 HydrophobicContact CG1-CD2 4.25Å; V375-L377 HydrophobicContact CG1-CG 4.42Å; V375-K383 CarbonylContact O-C 3.46Å; V375-K383 VanDerWaalsContact O-CA 3.31Å; V375-K383 WeakPolarHBondContact O-CA 3.36Å; V375-Q384 PolarHBondContact N-O 3.37Å; V375-Q384 PolarHBondContact O-N 2.73Å; V375-V386 HydrophobicContact CG2-CG2 4.05Å; V375-Y761 HydrophobicContact CG2-CE1 3.92Å |
| 376 | D | 74.9 | Confident | 79.9 | Confident | 48 Ų | 48 | 35.7 Ų | 35.7 | 26% | 0.257 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 103.8 | 167.6 | -170.4 | -18.2 | 0 | 0 | 0 | 108.8 | E378 Q380 E381 K383 R824 | D376-E378 PolarHBondContact O-N 2.74Å; D376-Q380 PolarHBondContact OD1-N 3.44Å; D376-E381 PolarHBondContact OD1-N 3.05Å; D376-K383 HydrophobicContact CB-CG 4.29Å; D376-R824 VanDerWaalsContact C-NH2 3.34Å; D376-R824 PolarHBondContact O-NH2 3.4Å |
| 377 | L | 64.1 | Low | 80 | Confident | 19 Ų | 19 | 35.6 Ų | 35.6 | 10% | 0.099 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -66.4 | 116 | 177.2 | -69 | 171.9 | 0 | 0 | 0 | 108.8 | V375 Y379 Q380 Q384 R824 | V375-L377 HydrophobicContact CG1-CD2 4.25Å; V375-L377 HydrophobicContact CG1-CG 4.42Å; L377-Y379 VanDerWaalsContact C-N 3.29Å; L377-Y379 PolarHBondContact O-N 3.49Å; L377-Y379 VanDerWaalsContact O-N 3.16Å; L377-Q380 WeakPolarHBondContact O-CB 3.24Å; L377-Q380 PolarHBondContact O-N 3.2Å; L377-Q380 VanDerWaalsContact O-N 3.13Å; L377-Q384 VanDerWaalsContact CD1-CD 3.49Å; L377-Q384 HydrophobicContact CD1-CG 4.36Å; L377-R824 HydrophobicContact CD2-CG 4.26Å |
| 378 | E | 56.5 | Low | 80.3 | Confident | 104 Ų | 104 | 35.6 Ų | 35.6 | 49% | 0.486 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | 59 | 27.7 | 169.3 | -58.4 | 178.9 | 176.9 | 0 | 0 | 116.5 | D376 Q380 | D376-E378 PolarHBondContact O-N 2.74Å; E378-Q380 HydrophobicContact CB-CG 4Å; E378-Q380 PolarHBondContact O-N 2.73Å; E378-Q380 PolarHBondContact OE2-NE2 3.36Å; E378-Q380 VanDerWaalsContact OE2-NE2 3.1Å |
| 379 | Y | 53.2 | Low | 80.3 | Confident | 179 Ų | 179 | 34.9 Ų | 34.9 | 70% | 0.702 | 16% | 0.163 | S | C | * | . | G | 310 helix | trans | 56.3 | 30.8 | -176.8 | -53.1 | -84.7 | 0 | 0 | 0 | 112.3 | L377 E381 | L377-Y379 VanDerWaalsContact C-N 3.29Å; L377-Y379 PolarHBondContact O-N 3.49Å; L377-Y379 VanDerWaalsContact O-N 3.16Å; Y379-E381 VanDerWaalsContact C-N 3.3Å |
| 380 | Q | 51.5 | Low | 79.9 | Confident | 35 Ų | 35 | 35.1 Ų | 35.1 | 16% | 0.164 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -91 | 7.7 | -178 | -62.5 | -166.7 | 15.5 | 0 | 0 | 112.9 | D376 L377 E378 Q382 R683 | D376-Q380 PolarHBondContact OD1-N 3.44Å; L377-Q380 WeakPolarHBondContact O-CB 3.24Å; L377-Q380 PolarHBondContact O-N 3.2Å; L377-Q380 VanDerWaalsContact O-N 3.13Å; E378-Q380 HydrophobicContact CB-CG 4Å; E378-Q380 PolarHBondContact O-N 2.73Å; E378-Q380 PolarHBondContact OE2-NE2 3.36Å; E378-Q380 VanDerWaalsContact OE2-NE2 3.1Å; Q380-Q382 PolarHBondContact O-N 3.36Å; Q380-R683 VanDerWaalsContact CA-NH2 3.35Å; Q380-R683 PolarHBondContact O-NE 3.49Å; Q380-R683 PolarHBondContact O-NH1 2.89Å; Q380-R683 VanDerWaalsContact O-NH1 3.1Å; Q380-R683 PolarHBondContact O-NH2 2.84Å |
| 381 | E | 56 | Low | 79.5 | Confident | 92 Ų | 92 | 36.3 Ų | 36.3 | 43% | 0.43 | 17% | 0.169 | S | C | . | . | S | Bend | trans | 59.1 | 5.6 | -176.3 | -59.7 | -177.1 | 146.3 | 0 | 0 | 114 | D376 Y379 K383 R683 L1053 | D376-E381 PolarHBondContact OD1-N 3.05Å; Y379-E381 VanDerWaalsContact C-N 3.3Å; E381-K383 PolarHBondContact O-N 3.32Å; E381-R683 IonicContact OE2-NH1 2.76Å; E381-L1053 HydrophobicContact CB-CD2 3.46Å; E381-L1053 VanDerWaalsContact CB-CD2 3.46Å; E381-L1053 HydrophobicContact CB-CG 4.39Å; E381-L1053 HydrophobicContact CG-CD2 4.46Å; E381-L1053 WeakPolarHBondContact OE2-CD2 3.26Å |
| 382 | Q | 58 | Low | 78.8 | Confident | 32 Ų | 32 | 36 Ų | 36 | 15% | 0.15 | 17% | 0.168 | C | C | . | . | trans | -84.4 | 96.4 | 166.9 | -77.5 | -172.7 | -4.3 | 0 | 0 | 108.4 | Q380 | Q380-Q382 PolarHBondContact O-N 3.36Š| ||
| 383 | K | 72.2 | Confident | 77.9 | Confident | 53 Ų | 53 | 37.2 Ų | 37.2 | 23% | 0.23 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 132.5 | -179.4 | -66.3 | 179.8 | -178.9 | -178.6 | 0 | 110 | L374 V375 D376 E381 W1050 | L374-K383 HydrophobicContact CD2-CD 4.11Å; V375-K383 CarbonylContact O-C 3.46Å; V375-K383 VanDerWaalsContact O-CA 3.31Å; V375-K383 WeakPolarHBondContact O-CA 3.36Å; D376-K383 HydrophobicContact CB-CG 4.29Å; E381-K383 PolarHBondContact O-N 3.32Å; K383-W1050 WeakPolarHBondContact CB-O 3.46Å; K383-W1050 HydrophobicContact CD-CB 4.04Å; K383-W1050 WeakPolarHBondContact CD-O 3.41Å |
| 384 | Q | 82.6 | Confident | 77.3 | Confident | 28 Ų | 28 | 36.9 Ų | 36.9 | 13% | 0.131 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 154.3 | 174.2 | -61.1 | -173.3 | -16.1 | 0 | 0 | 108.8 | V375 L377 V399 V400 | V375-Q384 PolarHBondContact N-O 3.37Å; V375-Q384 PolarHBondContact O-N 2.73Å; L377-Q384 VanDerWaalsContact CD1-CD 3.49Å; L377-Q384 HydrophobicContact CD1-CG 4.36Å; Q384-V399 HydrophobicContact CB-CG1 4.29Å; Q384-V400 CarbonylContact C-O 3.58Å; Q384-V400 VanDerWaalsContact CA-O 3.24Å; Q384-V400 WeakPolarHBondContact CA-O 3.42Å |
| 385 | I | 89.9 | Confident | 77.3 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.4 | 169.7 | -49.1 | 172.1 | 0 | 0 | 0 | 106.8 | M372 L373 L374 V387 V399 V400 I1051 V1068 L1076 | M372-I385 HydrophobicContact CB-CG2 4.03Å; M372-I385 HydrophobicContact SD-CG2 4.36Å; L373-I385 CarbonylContact O-C 3.58Å; L373-I385 WeakPolarHBondContact O-CA 3.27Å; L374-I385 HydrophobicContact CD1-CG1 3.99Å; I385-V387 HydrophobicContact CB-CG2 4.35Å; I385-V387 HydrophobicContact CG2-CG2 3.67Å; I385-V399 CarbonylContact O-C 3.56Å; I385-V399 WeakPolarHBondContact O-CA 3.45Å; I385-V400 HydrophobicContact CB-CB 4.19Å; I385-V400 PolarHBondContact N-O 3.43Å; I385-V400 PolarHBondContact O-N 3.5Å; I385-I1051 HydrophobicContact CD1-CD1 3.61Å; I385-I1051 HydrophobicContact CD1-CG1 3.84Å; I385-I1051 HydrophobicContact CG1-CG1 4.49Å; I385-V1068 HydrophobicContact CD1-CG1 3.8Å; I385-L1076 HydrophobicContact CD1-CD1 4.35Å |
| 386 | V | 93.6 | Very high | 77.7 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 122.5 | 167.8 | -172.4 | 0 | 0 | 0 | 0 | 107.5 | M372 L373 V375 L397 H398 I752 F827 | M372-V386 CarbonylContact C-O 3.44Å; M372-V386 VanDerWaalsContact CA-O 3.28Å; M372-V386 WeakPolarHBondContact CA-O 3.48Å; L373-V386 PolarHBondContact N-O 3.42Å; L373-V386 PolarHBondContact O-N 3.08Å; V375-V386 HydrophobicContact CG2-CG2 4.05Å; V386-L397 HydrophobicContact CG1-CB 4.47Å; V386-H398 CarbonylContact C-O 3.47Å; V386-H398 WeakPolarHBondContact CA-O 3.43Å; V386-I752 HydrophobicContact CB-CD1 4.13Å; V386-I752 HydrophobicContact CG1-CD1 3.53Å; V386-F827 HydrophobicContact CG1-CE1 4.13Å; V386-F827 HydrophobicContact CG2-CE1 4.48Å; V386-F827 HydrophobicContact CG2-CZ 4.24Å |
| 387 | V | 95.3 | Very high | 78.6 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132.8 | -171.1 | -168.5 | 0 | 0 | 0 | 0 | 109.2 | I369 I385 T389 L397 H398 V400 | I369-V387 HydrophobicContact CB-CG1 3.91Å; I369-V387 HydrophobicContact CD1-CG1 3.9Å; I369-V387 HydrophobicContact CG1-CG1 3.62Å; I369-V387 HydrophobicContact CG2-CG1 3.33Å; I385-V387 HydrophobicContact CB-CG2 4.35Å; I385-V387 HydrophobicContact CG2-CG2 3.67Å; V387-T389 HydrophobicContact CB-CG2 4.31Å; V387-T389 HydrophobicContact CG1-CG2 3.73Å; V387-L397 CarbonylContact O-C 3.59Å; V387-L397 VanDerWaalsContact O-CA 3.29Å; V387-L397 WeakPolarHBondContact O-CA 3.31Å; V387-H398 HydrophobicContact CB-CB 4.32Å; V387-H398 PolarHBondContact N-O 2.91Å; V387-H398 PolarHBondContact O-N 3.16Å; V387-V400 HydrophobicContact CG2-CG2 4.1Å |
| 388 | C | 96.4 | Very high | 80 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121.6 | 173.2 | -64.5 | 0 | 0 | 0 | 0 | 110.2 | V370 D371 L397 P749 I752 | V370-C388 PolarHBondContact N-O 3.1Å; D371-C388 HydrophobicContact CB-CB 4.1Å; D371-C388 PolarHBondContact O-N 3.26Å; C388-L397 HydrophobicContact CB-CD2 4.3Å; C388-L397 VanDerWaalsContact SG-CD2 3.53Å; C388-P749 HydrophobicContact CB-CB 3.98Å; C388-P749 HydrophobicContact CB-CG 3.95Å; C388-P749 WeakPolarHBondContact CB-O 3.43Å; C388-I752 VanDerWaalsContact SG-CG2 3.57Å |
| 389 | T | 95.2 | Very high | 81.6 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 148.9 | -172.6 | 64 | 0 | 0 | 0 | 0 | 112.4 | L366 P368 I369 V387 G395 S396 H398 P749 | L366-T389 HydrophobicContact CB-CG2 4.45Å; L366-T389 WeakPolarHBondContact O-CG2 3.4Å; P368-T389 WeakPolarHBondContact O-CA 3.49Å; I369-T389 HydrophobicContact CG1-CG2 4.43Å; V387-T389 HydrophobicContact CB-CG2 4.31Å; V387-T389 HydrophobicContact CG1-CG2 3.73Å; T389-G395 WeakPolarHBondContact O-CA 3.12Å; T389-S396 PolarHBondContact N-O 2.92Å; T389-S396 PolarHBondContact O-N 2.98Å; T389-S396 PolarHBondContact OG1-O 3Å; T389-S396 PolarHBondContact OG1-OG 2.86Å; T389-H398 PolarHBondContact OG1-CE1 2.83Å; T389-H398 VanDerWaalsContact OG1-CE1 3.27Å; T389-H398 PolarHBondContact OG1-ND1 3.4Å; T389-P749 WeakPolarHBondContact O-CD 3.44Å |
| 390 | G | 88.4 | Confident | 83.2 | Confident | 5 Ų | 5 | 19.3 Ų | 19.3 | 5% | 0.052 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 120.1 | -158.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L337 P368 F748 | L337-G390 WeakPolarHBondContact O-CA 3.4Å; P368-G390 WeakPolarHBondContact CG-O 3.32Å; G390-F748 VanDerWaalsContact C-CD2 3.44Å; G390-F748 WeakPolarHBondContact O-CD2 3.2Å; G390-F748 WeakPolarHBondContact O-CE2 3.18Å |
| 391 | H | 86.4 | Confident | 84.5 | Confident | 56 Ų | 56 | 18 Ų | 18 | 26% | 0.259 | 11% | 0.107 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 158.8 | -177.9 | 176.8 | 80.4 | 0 | 0 | 0 | 109.8 | L337 G393 G394 F748 | L337-H391 HydrophobicContact CB-CB 4.17Å; L337-H391 HydrophobicContact CD1-CB 4.2Å; H391-G393 PolarHBondContact CD2-N 3.48Å; H391-G393 PolarHBondContact O-N 3.39Å; H391-G394 PolarHBondContact N-O 2.79Å; H391-G394 CarbonylContact O-C 3.58Å; H391-G394 PolarHBondContact O-N 3.34Å; H391-F748 VanDerWaalsContact C-CB 3.48Å; H391-F748 WeakPolarHBondContact O-CB 3.44Å |
| 392 | P | 81 | Confident | 85.3 | Confident | 20 Ų | 20 | 14.8 Ų | 14.8 | 13% | 0.13 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -16 | 179.6 | -35.6 | 39.4 | 0 | 0 | 0 | 118.1 | F748 V766 C768 | P392-F748 HydrophobicContact CG-CB 4.29Å; P392-F748 HydrophobicContact CG-CD1 3.87Å; P392-F748 HydrophobicContact CG-CG 4.39Å; P392-V766 HydrophobicContact CG-CG1 4.34Å; P392-C768 WeakPolarHBondContact CB-SG 3.39Å; P392-C768 PolarHBondContact O-N 2.95Å |
| 393 | G | 74.7 | Confident | 85.8 | Confident | 30 Ų | 30 | 13.4 Ų | 13.4 | 31% | 0.309 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -10.7 | 171 | 0 | 0 | 0 | 0 | 0 | 115 | H391 | H391-G393 PolarHBondContact CD2-N 3.48Å; H391-G393 PolarHBondContact O-N 3.39Å |
| 394 | G | 80.5 | Confident | 85.8 | Confident | 32 Ų | 32 | 11.1 Ų | 11.1 | 33% | 0.33 | 8% | 0.079 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.9 | 134.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | H391 | H391-G394 PolarHBondContact N-O 2.79Å; H391-G394 CarbonylContact O-C 3.58Å; H391-G394 PolarHBondContact O-N 3.34Å |
| 395 | G | 88.3 | Confident | 85.2 | Confident | 8 Ų | 8 | 11 Ų | 11 | 8% | 0.082 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 165.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T389 L745 A746 E747 | T389-G395 WeakPolarHBondContact O-CA 3.12Å; G395-L745 PolarHBondContact O-N 2.96Å; G395-L745 VanDerWaalsContact O-N 3.13Å; G395-A746 PolarHBondContact O-N 2.87Å; G395-E747 CarbonylContact C-O 3.58Å; G395-E747 VanDerWaalsContact CA-O 3.3Å; G395-E747 WeakPolarHBondContact CA-O 2.96Å |
| 396 | S | 93 | Very high | 84.5 | Confident | 7 Ų | 7 | 11.6 Ų | 11.6 | 5% | 0.049 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 156.8 | -175.7 | 54.2 | 0 | 0 | 0 | 0 | 110.4 | T389 H398 V743 P749 | T389-S396 PolarHBondContact N-O 2.92Å; T389-S396 PolarHBondContact O-N 2.98Å; T389-S396 PolarHBondContact OG1-O 3Å; T389-S396 PolarHBondContact OG1-OG 2.86Å; S396-H398 PolarHBondContact OG-CE1 3.05Å; S396-V743 WeakPolarHBondContact CA-O 3.23Å; S396-V743 WeakPolarHBondContact CB-O 3.41Å; S396-P749 WeakPolarHBondContact O-CG 3.16Å |
| 397 | L | 94.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 144.9 | 163.4 | -59.6 | 170.6 | 0 | 0 | 0 | 108.5 | V386 V387 C388 V743 L745 P749 V763 M822 F827 | V386-L397 HydrophobicContact CG1-CB 4.47Å; V387-L397 CarbonylContact O-C 3.59Å; V387-L397 VanDerWaalsContact O-CA 3.29Å; V387-L397 WeakPolarHBondContact O-CA 3.31Å; C388-L397 HydrophobicContact CB-CD2 4.3Å; C388-L397 VanDerWaalsContact SG-CD2 3.53Å; L397-V743 HydrophobicContact CB-CB 4.15Å; L397-V743 PolarHBondContact N-O 3.4Å; L397-V743 PolarHBondContact O-N 2.82Å; L397-L745 HydrophobicContact CD1-CD1 4.24Å; L397-L745 HydrophobicContact CD2-CD1 4.42Å; L397-L745 HydrophobicContact CG-CD1 3.84Å; L397-L745 HydrophobicContact CG-CG 4.37Å; L397-P749 HydrophobicContact CD2-CB 3.73Å; L397-P749 HydrophobicContact CD2-CG 3.85Å; L397-V763 HydrophobicContact CD1-CG2 4.26Å; L397-M822 HydrophobicContact CD1-CE 4.15Å; L397-M822 HydrophobicContact CD1-SD 3.85Å; L397-F827 HydrophobicContact CD1-CD1 4.37Å |
| 398 | H | 92.8 | Very high | 83 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 129.9 | 172 | -72.3 | 92.6 | 0 | 0 | 0 | 109.6 | N365 L366 V386 V387 T389 S396 V740 R741 | N365-H398 PolarHBondContact O-CE1 2.96Å; L366-H398 HydrophobicContact CD2-CB 4.37Å; V386-H398 CarbonylContact C-O 3.47Å; V386-H398 WeakPolarHBondContact CA-O 3.43Å; V387-H398 HydrophobicContact CB-CB 4.32Å; V387-H398 PolarHBondContact N-O 2.91Å; V387-H398 PolarHBondContact O-N 3.16Å; T389-H398 PolarHBondContact OG1-CE1 2.83Å; T389-H398 VanDerWaalsContact OG1-CE1 3.27Å; T389-H398 PolarHBondContact OG1-ND1 3.4Å; S396-H398 PolarHBondContact OG-CE1 3.05Å; H398-V740 HydrophobicContact CB-CG1 4.06Å; H398-R741 CarbonylContact C-O 3.58Å; H398-R741 WeakPolarHBondContact CA-O 3.44Å |
| 399 | V | 89.1 | Confident | 82.3 | Confident | 6 Ų | 6 | 26 Ų | 26 | 4% | 0.036 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 109.8 | 175.2 | -173.9 | 0 | 0 | 0 | 0 | 107.8 | Q384 I385 R741 V743 F827 | Q384-V399 HydrophobicContact CB-CG1 4.29Å; I385-V399 CarbonylContact O-C 3.56Å; I385-V399 WeakPolarHBondContact O-CA 3.45Å; V399-R741 HydrophobicContact CB-CB 4.38Å; V399-R741 PolarHBondContact N-O 2.64Å; V399-R741 PolarHBondContact O-N 2.97Å; V399-V743 HydrophobicContact CG2-CG2 4.27Å; V399-F827 HydrophobicContact CG2-CE1 4Å; V399-F827 HydrophobicContact CG2-CE2 3.6Å; V399-F827 HydrophobicContact CG2-CZ 3.28Å |
| 400 | V | 87.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 126 | 177.1 | -172.2 | 0 | 0 | 0 | 0 | 108.5 | L366 Q384 I385 V387 L738 H739 V740 L1076 | L366-V400 HydrophobicContact CD2-CG2 4.14Å; Q384-V400 CarbonylContact C-O 3.58Å; Q384-V400 VanDerWaalsContact CA-O 3.24Å; Q384-V400 WeakPolarHBondContact CA-O 3.42Å; I385-V400 HydrophobicContact CB-CB 4.19Å; I385-V400 PolarHBondContact N-O 3.43Å; I385-V400 PolarHBondContact O-N 3.5Å; V387-V400 HydrophobicContact CG2-CG2 4.1Å; V400-L738 HydrophobicContact CG1-CB 4.28Å; V400-L738 HydrophobicContact CG1-CD1 4.41Å; V400-L738 HydrophobicContact CG1-CD2 4.25Å; V400-H739 WeakPolarHBondContact CA-O 3.39Å; V400-V740 HydrophobicContact CG1-CG2 4.31Å; V400-V740 HydrophobicContact CG2-CG1 4.31Å; V400-V740 HydrophobicContact CG2-CG2 4.06Å; V400-L1076 HydrophobicContact CB-CD1 4.24Å; V400-L1076 HydrophobicContact CG1-CD1 4.09Å; V400-L1076 HydrophobicContact CG2-CD1 3.74Å |
| 401 | S | 78.4 | Confident | 81.3 | Confident | 6 Ų | 6 | 34.7 Ų | 34.7 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 142.3 | -176.1 | 55 | 0 | 0 | 0 | 0 | 109.8 | N700 L738 H739 | S401-N700 PolarHBondContact OG-ND2 2.86Å; S401-L738 WeakPolarHBondContact O-CA 3.16Å; S401-H739 PolarHBondContact N-O 2.84Å; S401-H739 PolarHBondContact O-N 2.9Å; S401-H739 PolarHBondContact OG-O 2.84Å |
| 402 | S | 72.8 | Confident | 81.3 | Confident | 25 Ų | 25 | 33.4 Ų | 33.4 | 18% | 0.175 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 129.6 | 169.9 | 169 | 0 | 0 | 0 | 0 | 109.4 | S698 | S402-S698 PolarHBondContact O-OG 3.42Å |
| 403 | G | 69.4 | Low | 81.6 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 131.1 | -175.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | S698 | G403-S698 CarbonylContact C-O 3.57Å; G403-S698 WeakPolarHBondContact CA-O 3.45Å |
| 404 | I | 72.4 | Confident | 82.2 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -90 | 129.6 | -179.1 | -60.7 | 160.6 | 0 | 0 | 0 | 108.5 | V686 S698 V699 N700 L732 V735 | I404-V686 HydrophobicContact CD1-CB 3.67Å; I404-V686 HydrophobicContact CD1-CG1 4.09Å; I404-V686 HydrophobicContact CD1-CG2 3.95Å; I404-S698 PolarHBondContact N-O 3.06Å; I404-V699 HydrophobicContact CB-CG2 4.34Å; I404-V699 CarbonylContact O-C 3.57Å; I404-V699 VanDerWaalsContact O-CA 3.3Å; I404-V699 WeakPolarHBondContact O-CA 3.36Å; I404-N700 PolarHBondContact O-N 2.81Å; I404-L732 HydrophobicContact CG2-CD2 3.77Å; I404-V735 HydrophobicContact CD1-CB 4.48Å; I404-V735 HydrophobicContact CD1-CG1 4.25Å; I404-V735 HydrophobicContact CD1-CG2 3.78Å; I404-V735 HydrophobicContact CG1-CB 4.37Å; I404-V735 HydrophobicContact CG1-CG1 4.15Å; I404-V735 HydrophobicContact CG1-CG2 4.11Å |
| 405 | C | 69.9 | Low | 82.6 | Confident | 27 Ų | 27 | 42.7 Ų | 42.7 | 18% | 0.182 | 22% | 0.22 | C | C | . | . | trans | -92.3 | 152.9 | 173.2 | -164.2 | 0 | 0 | 0 | 0 | 110.3 | D733 H739 | C405-D733 WeakPolarHBondContact O-CB 3.41Å; C405-D733 PolarHBondContact O-N 3.33Å; C405-H739 HydrophobicContact CB-CB 4.49Å; C405-H739 PolarHBondContact SG-NE2 2.76Å | ||
| 406 | V | 75.8 | Confident | 82.6 | Confident | 12 Ų | 12 | 44.4 Ų | 44.4 | 7% | 0.073 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 118.9 | 167.8 | 176.8 | 0 | 0 | 0 | 0 | 108.3 | E408 V699 I701 F721 V731 L732 | V406-E408 PolarHBondContact O-N 3.12Å; V406-V699 HydrophobicContact CG2-CG1 3.87Å; V406-I701 HydrophobicContact CB-CD1 3.53Å; V406-I701 HydrophobicContact CB-CG1 3.77Å; V406-I701 HydrophobicContact CG1-CD1 4.06Å; V406-I701 HydrophobicContact CG2-CD1 3.22Å; V406-I701 HydrophobicContact CG2-CG1 3.8Å; V406-F721 HydrophobicContact CG1-CE1 3.69Å; V406-F721 HydrophobicContact CG1-CZ 4.11Å; V406-V731 WeakPolarHBondContact CA-O 3.46Å; V406-L732 HydrophobicContact CG2-CD2 3.51Å; V406-L732 HydrophobicContact CG2-CG 3.88Å |
| 407 | K | 77.1 | Confident | 82.4 | Confident | 148 Ų | 148 | 44.3 Ų | 44.3 | 64% | 0.643 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 100.8 | 174 | -175.4 | 178.6 | 179.8 | 179 | 0 | 108.3 | L409 G730 V731 | K407-L409 HydrophobicContact CD-CD2 4.35Å; K407-L409 HydrophobicContact CG-CD2 4.3Å; K407-L409 PolarHBondContact O-N 3.13Å; K407-G730 CarbonylContact O-C 3.54Å; K407-G730 WeakPolarHBondContact O-CA 3.5Å; K407-V731 PolarHBondContact N-O 2.99Å; K407-V731 PolarHBondContact O-N 3.21Å |
| 408 | E | 78.3 | Confident | 82.1 | Confident | 85 Ų | 85 | 49.5 Ų | 49.5 | 40% | 0.397 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 122.6 | 174.2 | -69.6 | -177 | 175.6 | 0 | 0 | 110.4 | V406 Q411 F721 | V406-E408 PolarHBondContact O-N 3.12Å; E408-Q411 PolarHBondContact OE2-NE2 2.85Å; E408-F721 HydrophobicContact CG-CE1 4.5Å; E408-F721 HydrophobicContact CG-CZ 3.71Å; E408-F721 WeakPolarHBondContact OE1-CE2 3.19Å; E408-F721 WeakPolarHBondContact OE1-CZ 3.22Å |
| 409 | L | 81.9 | Confident | 81.9 | Confident | 69 Ų | 69 | 50.6 Ų | 50.6 | 36% | 0.361 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -35.2 | 179.2 | -62.3 | 177.1 | 0 | 0 | 0 | 111.3 | K407 Y715 F729 V731 | K407-L409 HydrophobicContact CD-CD2 4.35Å; K407-L409 HydrophobicContact CG-CD2 4.3Å; K407-L409 PolarHBondContact O-N 3.13Å; L409-Y715 HydrophobicContact CD1-CD1 3.47Å; L409-Y715 VanDerWaalsContact CD1-CD1 3.47Å; L409-Y715 HydrophobicContact CD1-CE1 3.43Å; L409-Y715 VanDerWaalsContact CD1-CE1 3.43Å; L409-Y715 HydrophobicContact CD1-CG 4.06Å; L409-F729 HydrophobicContact CB-CD1 4.07Å; L409-F729 HydrophobicContact CB-CE1 4.47Å; L409-F729 HydrophobicContact CD1-CD1 4.09Å; L409-F729 HydrophobicContact CD1-CE1 3.66Å; L409-F729 PolarHBondContact N-O 2.92Å; L409-V731 HydrophobicContact CD1-CG2 3.77Å |
| 410 | F | 79.8 | Confident | 82 | Confident | 97 Ų | 97 | 50.5 Ų | 50.5 | 43% | 0.425 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 147.2 | -176.9 | -176.7 | -91.8 | 0 | 0 | 0 | 111.8 | A412 I453 S728 F729 | F410-A412 HydrophobicContact CE1-CB 3.63Å; F410-A412 HydrophobicContact CZ-CB 4.24Å; F410-I453 HydrophobicContact CB-CD1 4.4Å; F410-I453 HydrophobicContact CD1-CD1 3.23Å; F410-I453 HydrophobicContact CD2-CD1 4.45Å; F410-I453 HydrophobicContact CE1-CD1 3.42Å; F410-I453 VanDerWaalsContact CE1-CD1 3.42Å; F410-I453 HydrophobicContact CG-CD1 3.79Å; F410-I453 HydrophobicContact CZ-CD1 4.13Å; F410-S728 CarbonylContact O-C 3.58Å; F410-S728 WeakPolarHBondContact O-CA 3.48Å; F410-F729 HydrophobicContact CB-CB 4.4Å; F410-F729 PolarHBondContact N-O 3.43Å; F410-F729 VanDerWaalsContact N-O 3.16Å; F410-F729 PolarHBondContact O-N 3.31Å |
| 411 | Q | 84.4 | Confident | 82.2 | Confident | 92 Ų | 92 | 51.8 Ų | 51.8 | 43% | 0.43 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 138.3 | 171.1 | -65.8 | -169.9 | -5.9 | 0 | 0 | 110.9 | E408 L727 | E408-Q411 PolarHBondContact OE2-NE2 2.85Å; Q411-L727 CarbonylContact C-O 3.58Å; Q411-L727 WeakPolarHBondContact CA-O 3.44Å |
| 412 | A | 85.7 | Confident | 82.8 | Confident | 29 Ų | 29 | 52.3 Ų | 52.3 | 24% | 0.24 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 143.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F410 L414 M726 L727 | F410-A412 HydrophobicContact CE1-CB 3.63Å; F410-A412 HydrophobicContact CZ-CB 4.24Å; A412-L414 HydrophobicContact CB-CD1 4.34Å; A412-L414 PolarHBondContact O-N 3.26Å; A412-L414 VanDerWaalsContact O-N 3.13Å; A412-M726 CarbonylContact O-C 3.58Å; A412-M726 WeakPolarHBondContact O-CA 3.42Å; A412-L727 PolarHBondContact N-O 2.95Å; A412-L727 PolarHBondContact O-N 2.84Å |
| 413 | K | 86.7 | Confident | 83.6 | Confident | 162 Ų | 162 | 51.2 Ų | 51.2 | 70% | 0.704 | 27% | 0.272 | S | S | * | . | trans | -80.7 | 96.3 | 178.4 | -166.2 | 169.4 | -172.8 | 173.2 | 0 | 110.9 | M726 | K413-M726 VanDerWaalsContact CA-SD 3.57Å; K413-M726 HydrophobicContact CB-SD 3.64Å; K413-M726 HydrophobicContact CD-SD 4.33Å; K413-M726 HydrophobicContact CG-SD 3.72Å | ||
| 414 | L | 88.3 | Confident | 84.6 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | trans | -128.4 | 84.5 | 179.2 | -80.8 | 159.9 | 0 | 0 | 0 | 108.8 | A412 V417 F439 K444 L446 E725 L727 | A412-L414 HydrophobicContact CB-CD1 4.34Å; A412-L414 PolarHBondContact O-N 3.26Å; A412-L414 VanDerWaalsContact O-N 3.13Å; L414-V417 HydrophobicContact CB-CG2 4.27Å; L414-V417 WeakPolarHBondContact O-CG2 3.27Å; L414-F439 HydrophobicContact CD2-CZ 4.26Å; L414-K444 HydrophobicContact CD2-CD 4.47Å; L414-L446 HydrophobicContact CD1-CD1 4.01Å; L414-E725 CarbonylContact C-O 3.5Å; L414-E725 VanDerWaalsContact C-O 3.3Å; L414-E725 PolarHBondContact N-O 3.09Å; L414-E725 VanDerWaalsContact N-O 3.12Å; L414-L727 HydrophobicContact CB-CB 4.12Å; L414-L727 HydrophobicContact CD1-CB 3.92Å; L414-L727 HydrophobicContact CD1-CD2 3.63Å; L414-L727 HydrophobicContact CD1-CG 4.41Å | ||
| 415 | P | 88.5 | Confident | 85.4 | Confident | 84 Ų | 84 | 52.1 Ų | 52.1 | 55% | 0.545 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | 147 | -176.8 | 29.7 | -34.6 | 0 | 0 | 0 | 112.4 | F439 G724 | P415-F439 WeakPolarHBondContact O-CE1 3.17Å; P415-G724 CarbonylContact C-O 3.53Å; P415-G724 VanDerWaalsContact CA-O 3.24Å; P415-G724 WeakPolarHBondContact CA-O 3.09Å |
| 416 | G | 87.7 | Confident | 86.1 | Confident | 43 Ų | 43 | 55.6 Ų | 55.6 | 44% | 0.443 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 17.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | M418 F439 G724 | G416-M418 PolarHBondContact O-N 3Å; G416-F439 WeakPolarHBondContact O-CD1 3.24Å; G416-G724 PolarHBondContact N-O 2.88Å |
| 417 | V | 90.1 | Very high | 86.2 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | trans | -64.6 | 129.1 | 172.6 | 178.6 | 0 | 0 | 0 | 0 | 110 | L414 L420 V437 F439 T722 | L414-V417 HydrophobicContact CB-CG2 4.27Å; L414-V417 WeakPolarHBondContact O-CG2 3.27Å; V417-L420 HydrophobicContact CG1-CD2 3.88Å; V417-L420 HydrophobicContact CG1-CG 4.11Å; V417-V437 HydrophobicContact CB-CG1 4.17Å; V417-V437 HydrophobicContact CG1-CG1 3.59Å; V417-V437 HydrophobicContact CG2-CG1 3.53Å; V417-F439 HydrophobicContact CG2-CE1 3.69Å; V417-F439 HydrophobicContact CG2-CZ 3.81Å; V417-T722 HydrophobicContact CB-CG2 3.87Å; V417-T722 HydrophobicContact CG1-CG2 3.76Å | ||
| 418 | M | 87.4 | Confident | 85.8 | Confident | 108 Ų | 108 | 57.9 Ų | 57.9 | 53% | 0.532 | 31% | 0.306 | S | S | . | . | trans | -101.9 | -35.4 | 179 | -67.5 | -165.9 | 62.7 | 0 | 0 | 113.1 | G416 S438 M440 | G416-M418 PolarHBondContact O-N 3Å; M418-S438 PolarHBondContact N-O 2.68Å; M418-M440 HydrophobicContact SD-CB 4.03Å; M418-M440 HydrophobicContact SD-CG 4.36Å | ||
| 419 | A | 89.3 | Confident | 85.3 | Confident | 24 Ų | 24 | 58.1 Ų | 58.1 | 20% | 0.198 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 155.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W421 S438 | A419-W421 HydrophobicContact CB-CH2 3.21Å; A419-W421 HydrophobicContact CB-CZ2 3.76Å; A419-W421 HydrophobicContact CB-CZ3 3.64Å; A419-S438 PolarHBondContact N-O 3.31Å; A419-S438 PolarHBondContact O-N 3.1Å |
| 420 | L | 91.8 | Very high | 84.5 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 138.8 | -174.4 | -64.3 | 168.7 | 0 | 0 | 0 | 110.4 | V417 L436 V437 V720 T722 L727 | V417-L420 HydrophobicContact CG1-CD2 3.88Å; V417-L420 HydrophobicContact CG1-CG 4.11Å; L420-L436 WeakPolarHBondContact CA-O 3.43Å; L420-V437 HydrophobicContact CD2-CB 4.23Å; L420-V437 HydrophobicContact CD2-CG1 3.95Å; L420-V437 HydrophobicContact CD2-CG2 3.82Å; L420-V720 HydrophobicContact CD1-CG1 4.11Å; L420-V720 HydrophobicContact CD2-CG1 4.48Å; L420-T722 HydrophobicContact CD1-CG2 4.2Å; L420-L727 HydrophobicContact CD1-CD1 4.02Å; L420-L727 HydrophobicContact CD2-CD1 3.68Å; L420-L727 HydrophobicContact CG-CD1 4.5Å |
| 421 | W | 91.3 | Very high | 84.4 | Confident | 27 Ų | 27 | 55.9 Ų | 55.9 | 10% | 0.102 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 122 | 171.2 | -59.1 | -96.2 | 0 | 0 | 0 | 110.3 | A419 C435 L436 T467 H468 A470 | A419-W421 HydrophobicContact CB-CH2 3.21Å; A419-W421 HydrophobicContact CB-CZ2 3.76Å; A419-W421 HydrophobicContact CB-CZ3 3.64Å; W421-C435 CarbonylContact O-C 3.59Å; W421-C435 VanDerWaalsContact O-CA 3.31Å; W421-C435 WeakPolarHBondContact O-CA 3.34Å; W421-L436 HydrophobicContact CB-CB 4.42Å; W421-L436 HydrophobicContact CE3-CB 4.17Å; W421-L436 PolarHBondContact N-O 3.15Å; W421-L436 PolarHBondContact O-N 2.91Å; W421-T467 HydrophobicContact CE3-CG2 4.29Å; W421-T467 HydrophobicContact CH2-CG2 3.94Å; W421-T467 WeakPolarHBondContact CH2-O 3.13Å; W421-T467 HydrophobicContact CZ2-CG2 4.42Å; W421-T467 HydrophobicContact CZ3-CG2 3.89Å; W421-H468 WeakPolarHBondContact CZ2-O 3.48Å; W421-A470 HydrophobicContact CB-CB 4.04Å; W421-A470 HydrophobicContact CD2-CB 4.12Å; W421-A470 HydrophobicContact CG-CB 3.9Å |
| 422 | A | 89.8 | Confident | 84.4 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 13% | 0.132 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 134.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | N432 L434 S708 P709 L710 | A422-N432 HydrophobicContact CB-CB 4.1Å; A422-L434 CarbonylContact C-O 3.57Å; A422-L434 VanDerWaalsContact CA-O 3.3Å; A422-L434 WeakPolarHBondContact CA-O 3.27Å; A422-S708 PolarHBondContact N-OG 2.61Å; A422-P709 WeakPolarHBondContact CB-O 3.14Å; A422-L710 HydrophobicContact CB-CB 4Å; A422-L710 HydrophobicContact CB-CD1 4.33Å; A422-L710 HydrophobicContact CB-CG 4.13Å |
| 423 | L | 90.8 | Very high | 84.5 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 161.4 | -172.6 | -57.4 | 173.1 | 0 | 0 | 0 | 110.2 | N432 N433 L434 L436 A470 N472 I481 | L423-N432 WeakPolarHBondContact O-CA 3.3Å; L423-N433 PolarHBondContact O-N 2.9Å; L423-L434 HydrophobicContact CB-CB 4.22Å; L423-L434 HydrophobicContact CB-CD2 4.26Å; L423-L434 HydrophobicContact CB-CG 4.49Å; L423-L434 HydrophobicContact CD1-CD2 4.25Å; L423-L434 PolarHBondContact N-O 3.29Å; L423-L434 PolarHBondContact O-N 3.48Å; L423-L436 HydrophobicContact CD1-CB 4.4Å; L423-L436 HydrophobicContact CD1-CD1 3.58Å; L423-L436 HydrophobicContact CD1-CG 4.49Å; L423-A470 HydrophobicContact CD1-CB 4.2Å; L423-A470 HydrophobicContact CD2-CB 4.5Å; L423-N472 WeakPolarHBondContact CA-OD1 3.31Å; L423-N472 VanDerWaalsContact CB-OD1 3.27Å; L423-N472 WeakPolarHBondContact CB-OD1 3.49Å; L423-N472 WeakPolarHBondContact CD2-OD1 3.47Å; L423-I481 HydrophobicContact CD1-CD1 4.38Å; L423-I481 HydrophobicContact CD1-CG1 4.33Å; L423-I481 HydrophobicContact CD1-CG2 4.02Å |
| 424 | S | 89.5 | Confident | 84.7 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 8% | 0.084 | 26% | 0.262 | C | S | . | . | trans | -100.3 | 126.5 | 169.5 | -62.2 | 0 | 0 | 0 | 0 | 109.8 | S431 N472 N479 | S424-S431 PolarHBondContact OG-O 3.21Å; S424-N472 PolarHBondContact N-OD1 3.4Å; S424-N472 PolarHBondContact O-ND2 3.32Å; S424-N479 PolarHBondContact O-ND2 3.33Å; S424-N479 VanDerWaalsContact O-ND2 3.09Å | ||
| 425 | Y | 89.4 | Confident | 84.8 | Confident | 16 Ų | 16 | 43.8 Ų | 43.8 | 6% | 0.063 | 25% | 0.254 | C | S | . | . | trans | -141.4 | 125.6 | 178.6 | 178.5 | -105.9 | 0 | 0 | 0 | 109.9 | T427 N433 L434 M447 I456 I458 I481 A494 | Y425-T427 VanDerWaalsContact C-N 3.27Å; Y425-T427 PolarHBondContact O-N 2.89Å; Y425-N433 PolarHBondContact N-OD1 3.49Å; Y425-N433 PolarHBondContact O-ND2 3.42Å; Y425-N433 PolarHBondContact O-OD1 3.12Å; Y425-L434 HydrophobicContact CG-CD2 4.28Å; Y425-M447 HydrophobicContact CD1-CE 3.81Å; Y425-M447 HydrophobicContact CD1-SD 4.12Å; Y425-M447 HydrophobicContact CE1-CE 4.12Å; Y425-I456 HydrophobicContact CD1-CD1 4.17Å; Y425-I456 HydrophobicContact CE1-CD1 4.02Å; Y425-I458 HydrophobicContact CD1-CD1 4.21Å; Y425-I458 HydrophobicContact CD2-CD1 4.06Å; Y425-I458 HydrophobicContact CE1-CD1 4.16Å; Y425-I458 HydrophobicContact CE1-CG1 4.39Å; Y425-I458 HydrophobicContact CE2-CD1 4.02Å; Y425-I458 HydrophobicContact CE2-CG1 4.44Å; Y425-I458 HydrophobicContact CE2-CG2 4.12Å; Y425-I458 HydrophobicContact CG-CD1 4.15Å; Y425-I481 HydrophobicContact CD2-CD1 4.14Å; Y425-A494 HydrophobicContact CD2-CB 4.21Å | ||
| 426 | L | 85.6 | Confident | 85.1 | Confident | 99 Ų | 99 | 39.8 Ų | 39.8 | 52% | 0.518 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 55.4 | 37.3 | -176.9 | -64.2 | 175.6 | 0 | 0 | 0 | 113.9 | A494 T495 S496 | L426-A494 PolarHBondContact N-O 3.24Å; L426-T495 WeakPolarHBondContact CD2-O 3.46Å; L426-S496 WeakPolarHBondContact CD2-O 3.29Å |
| 427 | T | 76.7 | Confident | 85.4 | Confident | 32 Ų | 32 | 37.8 Ų | 37.8 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | trans | -118.9 | 135.7 | 177.1 | 65.5 | 0 | 0 | 0 | 0 | 111.9 | Y425 N429 S431 N433 | Y425-T427 VanDerWaalsContact C-N 3.27Å; Y425-T427 PolarHBondContact O-N 2.89Å; T427-N429 VanDerWaalsContact CB-O 3.27Å; T427-N429 WeakPolarHBondContact CB-O 3.44Å; T427-N429 PolarHBondContact OG1-O 2.88Å; T427-S431 PolarHBondContact OG1-O 3.36Å; T427-N433 HydrophobicContact CG2-CB 4.03Å; T427-N433 WeakPolarHBondContact CG2-ND2 3.35Å; T427-N433 WeakPolarHBondContact CG2-OD1 3.28Å | ||
| 428 | E | 69.7 | Low | 85.7 | Confident | 177 Ų | 177 | 37.6 Ų | 37.6 | 83% | 0.827 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -83.2 | -28 | 173.6 | -62.3 | -169.5 | 173.5 | 0 | 0 | 112.1 | I476 | E428-I476 VanDerWaalsContact O-CG2 3.3Å; E428-I476 WeakPolarHBondContact O-CG2 3.42Å |
| 429 | N | 66.1 | Low | 86 | Confident | 90 Ų | 90 | 33.1 Ų | 33.1 | 48% | 0.481 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -88.7 | 141.2 | 170.1 | -64 | -21.8 | 0 | 0 | 0 | 107.7 | T427 S431 E713 | T427-N429 VanDerWaalsContact CB-O 3.27Å; T427-N429 WeakPolarHBondContact CB-O 3.44Å; T427-N429 PolarHBondContact OG1-O 2.88Å; N429-S431 PolarHBondContact O-N 3.41Å; N429-S431 PolarHBondContact O-OG 3.15Å; N429-E713 PolarHBondContact ND2-OE2 3.08Å |
| 430 | S | 67 | Low | 86 | Confident | 95 Ų | 95 | 38.8 Ų | 38.8 | 66% | 0.664 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -70.1 | 35.4 | 178.5 | 64.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 431 | S | 76.9 | Confident | 85.9 | Confident | 23 Ų | 23 | 46.2 Ų | 46.2 | 16% | 0.161 | 24% | 0.241 | C | C | . | . | trans | -82.9 | 143.8 | 175.9 | 53.4 | 0 | 0 | 0 | 0 | 110.5 | S424 T427 N429 | S424-S431 PolarHBondContact OG-O 3.21Å; T427-S431 PolarHBondContact OG1-O 3.36Å; N429-S431 PolarHBondContact O-N 3.41Å; N429-S431 PolarHBondContact O-OG 3.15Å | ||
| 432 | N | 83.7 | Confident | 86.1 | Confident | 36 Ų | 36 | 48.4 Ų | 48.4 | 19% | 0.193 | 25% | 0.252 | C | S | . | . | trans | -81.9 | 126.2 | 173.3 | -62.3 | -3.4 | 0 | 0 | 0 | 108.9 | A422 L423 L710 N711 S712 | A422-N432 HydrophobicContact CB-CB 4.1Å; L423-N432 WeakPolarHBondContact O-CA 3.3Å; N432-L710 HydrophobicContact CB-CG 4.2Å; N432-N711 PolarHBondContact N-O 3.06Å; N432-S712 WeakPolarHBondContact O-CB 3.34Å | ||
| 433 | N | 88 | Confident | 86.3 | Confident | 25 Ų | 25 | 47.8 Ų | 47.8 | 13% | 0.134 | 25% | 0.246 | C | C | . | . | trans | -132.3 | -3.4 | 177.7 | 70.2 | -30.7 | 0 | 0 | 0 | 112.9 | L423 Y425 T427 M447 F448 | L423-N433 PolarHBondContact O-N 2.9Å; Y425-N433 PolarHBondContact N-OD1 3.49Å; Y425-N433 PolarHBondContact O-ND2 3.42Å; Y425-N433 PolarHBondContact O-OD1 3.12Å; T427-N433 HydrophobicContact CG2-CB 4.03Å; T427-N433 WeakPolarHBondContact CG2-ND2 3.35Å; T427-N433 WeakPolarHBondContact CG2-OD1 3.28Å; N433-M447 CarbonylContact O-C 3.38Å; N433-M447 WeakPolarHBondContact O-CA 3.37Å; N433-F448 PolarHBondContact O-N 3.01Å | ||
| 434 | L | 90.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 140.8 | 177.3 | 179.7 | 68 | 0 | 0 | 0 | 109.3 | A422 L423 Y425 L436 T445 L446 I456 I458 I481 | A422-L434 CarbonylContact C-O 3.57Å; A422-L434 VanDerWaalsContact CA-O 3.3Å; A422-L434 WeakPolarHBondContact CA-O 3.27Å; L423-L434 HydrophobicContact CB-CB 4.22Å; L423-L434 HydrophobicContact CB-CD2 4.26Å; L423-L434 HydrophobicContact CB-CG 4.49Å; L423-L434 HydrophobicContact CD1-CD2 4.25Å; L423-L434 PolarHBondContact N-O 3.29Å; L423-L434 PolarHBondContact O-N 3.48Å; Y425-L434 HydrophobicContact CG-CD2 4.28Å; L434-L436 HydrophobicContact CD2-CD1 4.18Å; L434-T445 HydrophobicContact CD1-CG2 4.23Å; L434-L446 CarbonylContact C-O 3.55Å; L434-L446 WeakPolarHBondContact CA-O 3.37Å; L434-I456 HydrophobicContact CD1-CD1 4Å; L434-I456 HydrophobicContact CD1-CG1 4.26Å; L434-I458 HydrophobicContact CD1-CD1 4.18Å; L434-I458 HydrophobicContact CD2-CD1 3.54Å; L434-I481 HydrophobicContact CD2-CD1 4.14Å |
| 435 | C | 91.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 118.3 | 168.4 | -170.5 | 0 | 0 | 0 | 0 | 109.6 | W421 L446 F448 | W421-C435 CarbonylContact O-C 3.59Å; W421-C435 VanDerWaalsContact O-CA 3.31Å; W421-C435 WeakPolarHBondContact O-CA 3.34Å; C435-L446 HydrophobicContact CB-CB 4.47Å; C435-L446 PolarHBondContact N-O 3.43Å; C435-L446 PolarHBondContact O-N 3.22Å; C435-F448 HydrophobicContact CB-CD2 4.26Å; C435-F448 HydrophobicContact CB-CE2 3.48Å; C435-F448 VanDerWaalsContact CB-CE2 3.48Å; C435-F448 HydrophobicContact CB-CZ 4.36Å |
| 436 | L | 94.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 127.2 | 167 | -114.5 | 87.7 | 0 | 0 | 0 | 109.3 | L420 W421 L423 L434 T443 T445 I461 T467 A470 Q483 | L420-L436 WeakPolarHBondContact CA-O 3.43Å; W421-L436 HydrophobicContact CB-CB 4.42Å; W421-L436 HydrophobicContact CE3-CB 4.17Å; W421-L436 PolarHBondContact N-O 3.15Å; W421-L436 PolarHBondContact O-N 2.91Å; L423-L436 HydrophobicContact CD1-CB 4.4Å; L423-L436 HydrophobicContact CD1-CD1 3.58Å; L423-L436 HydrophobicContact CD1-CG 4.49Å; L434-L436 HydrophobicContact CD2-CD1 4.18Å; L436-T443 HydrophobicContact CD2-CG2 3.67Å; L436-T443 HydrophobicContact CG-CG2 3.92Å; L436-T445 HydrophobicContact CD1-CG2 3.42Å; L436-T445 VanDerWaalsContact CD1-CG2 3.42Å; L436-T445 HydrophobicContact CG-CG2 3.96Å; L436-I461 HydrophobicContact CD1-CD1 3.77Å; L436-I461 HydrophobicContact CD2-CG2 4.28Å; L436-T467 HydrophobicContact CD2-CG2 4.14Å; L436-A470 HydrophobicContact CD2-CB 4.04Å; L436-Q483 HydrophobicContact CD2-CG 4.47Å |
| 437 | V | 94.5 | Very high | 87 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 109.8 | -179.2 | -172.7 | 0 | 0 | 0 | 0 | 108.5 | V417 L420 F439 T443 K444 L446 | V417-V437 HydrophobicContact CB-CG1 4.17Å; V417-V437 HydrophobicContact CG1-CG1 3.59Å; V417-V437 HydrophobicContact CG2-CG1 3.53Å; L420-V437 HydrophobicContact CD2-CB 4.23Å; L420-V437 HydrophobicContact CD2-CG1 3.95Å; L420-V437 HydrophobicContact CD2-CG2 3.82Å; V437-F439 HydrophobicContact CB-CE2 4.2Å; V437-F439 HydrophobicContact CG1-CE2 3.67Å; V437-F439 HydrophobicContact CG1-CZ 3.79Å; V437-T443 CarbonylContact O-C 3.53Å; V437-T443 WeakPolarHBondContact O-CA 3.31Å; V437-K444 HydrophobicContact CB-CB 4.43Å; V437-K444 PolarHBondContact N-O 3.26Å; V437-K444 PolarHBondContact O-N 3.02Å; V437-L446 HydrophobicContact CG2-CD1 3.68Å; V437-L446 HydrophobicContact CG2-CG 4.04Å |
| 438 | S | 94.9 | Very high | 87.2 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 136.3 | 177.9 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | M418 A419 T467 | M418-S438 PolarHBondContact N-O 2.68Å; A419-S438 PolarHBondContact N-O 3.31Å; A419-S438 PolarHBondContact O-N 3.1Å; S438-T467 PolarHBondContact OG-N 3.1Å; S438-T467 PolarHBondContact OG-O 3.39Å |
| 439 | F | 93.6 | Very high | 87.6 | Confident | 14 Ų | 14 | 43.8 Ų | 43.8 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | trans | -110.4 | -177.9 | 169.5 | -61.6 | -93.3 | 0 | 0 | 0 | 109.7 | L414 P415 G416 V417 V437 K441 H442 K444 R466 | L414-F439 HydrophobicContact CD2-CZ 4.26Å; P415-F439 WeakPolarHBondContact O-CE1 3.17Å; G416-F439 WeakPolarHBondContact O-CD1 3.24Å; V417-F439 HydrophobicContact CG2-CE1 3.69Å; V417-F439 HydrophobicContact CG2-CZ 3.81Å; V437-F439 HydrophobicContact CB-CE2 4.2Å; V437-F439 HydrophobicContact CG1-CE2 3.67Å; V437-F439 HydrophobicContact CG1-CZ 3.79Å; F439-K441 VanDerWaalsContact C-N 3.27Å; F439-K441 PolarHBondContact O-N 3.39Å; F439-H442 WeakPolarHBondContact CA-O 3.35Å; F439-H442 WeakPolarHBondContact CB-O 3.46Å; F439-H442 AromaticContact CD2-CD2 3.65Å; F439-H442 AromaticContact CD2-CE1 3.97Å; F439-H442 AromaticContact CD2-NE2 3.38Å; F439-H442 WeakPolarHBondContact CD2-NE2 3.34Å; F439-H442 AromaticContact CE2-NE2 3.92Å; F439-H442 AromaticContact CG-CE1 3.69Å; F439-H442 AromaticContact CG-NE2 3.58Å; F439-H442 PolarHBondContact N-O 3.27Å; F439-K444 HydrophobicContact CD2-CG 4.45Å; F439-K444 HydrophobicContact CE2-CB 4.12Å; F439-K444 HydrophobicContact CE2-CD 3.81Å; F439-K444 HydrophobicContact CE2-CG 3.84Å; F439-K444 HydrophobicContact CZ-CD 4.25Å; F439-R466 WeakPolarHBondContact O-CB 3.38Å | ||
| 440 | M | 90.1 | Very high | 87.8 | Confident | 143 Ų | 143 | 46.8 Ų | 46.8 | 70% | 0.704 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -63.8 | -30.3 | -179.6 | -165.2 | -175.5 | -160.1 | 0 | 0 | 113.8 | M418 | M418-M440 HydrophobicContact SD-CB 4.03Å; M418-M440 HydrophobicContact SD-CG 4.36Å |
| 441 | K | 89.8 | Confident | 87.9 | Confident | 161 Ų | 161 | 49.1 Ų | 49.1 | 70% | 0.7 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -130.9 | -4.4 | -172.3 | -66.1 | -172.2 | 177.6 | -176.2 | 0 | 114.8 | F439 D464 | F439-K441 VanDerWaalsContact C-N 3.27Å; F439-K441 PolarHBondContact O-N 3.39Å; K441-D464 CarbonylContact O-C 3.58Å |
| 442 | H | 94.5 | Very high | 87.8 | Confident | 72 Ų | 72 | 54.9 Ų | 54.9 | 33% | 0.333 | 26% | 0.256 | S | S | . | . | trans | -157.1 | 169.5 | -174.6 | 66.5 | -85.7 | 0 | 0 | 0 | 109.7 | F439 L463 D465 | F439-H442 WeakPolarHBondContact CA-O 3.35Å; F439-H442 WeakPolarHBondContact CB-O 3.46Å; F439-H442 AromaticContact CD2-CD2 3.65Å; F439-H442 AromaticContact CD2-CE1 3.97Å; F439-H442 AromaticContact CD2-NE2 3.38Å; F439-H442 WeakPolarHBondContact CD2-NE2 3.34Å; F439-H442 AromaticContact CE2-NE2 3.92Å; F439-H442 AromaticContact CG-CE1 3.69Å; F439-H442 AromaticContact CG-NE2 3.58Å; F439-H442 PolarHBondContact N-O 3.27Å; H442-L463 CarbonylContact C-O 3.23Å; H442-L463 WeakPolarHBondContact CA-O 3.38Å; H442-L463 WeakPolarHBondContact CB-O 3.35Å; H442-D465 CarbonylContact C-O 3.56Å; H442-D465 VanDerWaalsContact C-O 3.23Å; H442-D465 WeakPolarHBondContact CA-O 3.11Å | ||
| 443 | T | 95.3 | Very high | 87.7 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 142.8 | 177.2 | -62.1 | 0 | 0 | 0 | 0 | 108.9 | L436 V437 L463 D465 T467 | L436-T443 HydrophobicContact CD2-CG2 3.67Å; L436-T443 HydrophobicContact CG-CG2 3.92Å; V437-T443 CarbonylContact O-C 3.53Å; V437-T443 WeakPolarHBondContact O-CA 3.31Å; T443-L463 PolarHBondContact N-O 3.23Å; T443-L463 WeakPolarHBondContact O-CD2 3.47Å; T443-D465 PolarHBondContact N-O 3.32Å; T443-D465 PolarHBondContact OG1-O 2.91Å; T443-T467 WeakPolarHBondContact CG2-OG1 3.33Å; T443-T467 PolarHBondContact OG1-N 3.18Å; T443-T467 PolarHBondContact OG1-OG1 2.68Å |
| 444 | K | 94.6 | Very high | 87.7 | Confident | 51 Ų | 51 | 58.8 Ų | 58.8 | 22% | 0.222 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 154.5 | 171.3 | -69.9 | -174.6 | 167.1 | -122.4 | 0 | 111.1 | L414 V437 F439 E455 | L414-K444 HydrophobicContact CD2-CD 4.47Å; V437-K444 HydrophobicContact CB-CB 4.43Å; V437-K444 PolarHBondContact N-O 3.26Å; V437-K444 PolarHBondContact O-N 3.02Å; F439-K444 HydrophobicContact CD2-CG 4.45Å; F439-K444 HydrophobicContact CE2-CB 4.12Å; F439-K444 HydrophobicContact CE2-CD 3.81Å; F439-K444 HydrophobicContact CE2-CG 3.84Å; F439-K444 HydrophobicContact CZ-CD 4.25Å; K444-E455 WeakPolarHBondContact CD-OE1 3.41Å; K444-E455 WeakPolarHBondContact CE-OE1 3.4Å; K444-E455 IonicContact NZ-OE1 3.88Å; K444-E455 PolarHBondContact NZ-OE1 3.3Å; K444-E455 IonicContact NZ-OE2 3.94Å; K444-E455 PolarHBondContact NZ-OE2 3.23Å |
| 445 | T | 94.2 | Very high | 87.7 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 112.2 | -179.9 | 22.5 | 0 | 0 | 0 | 0 | 109.6 | L434 L436 E455 I456 I458 I461 | L434-T445 HydrophobicContact CD1-CG2 4.23Å; L436-T445 HydrophobicContact CD1-CG2 3.42Å; L436-T445 VanDerWaalsContact CD1-CG2 3.42Å; L436-T445 HydrophobicContact CG-CG2 3.96Å; T445-E455 WeakPolarHBondContact O-CA 3.36Å; T445-I456 WeakPolarHBondContact CB-O 3.42Å; T445-I456 PolarHBondContact O-N 3.15Å; T445-I456 PolarHBondContact OG1-O 3.25Å; T445-I458 HydrophobicContact CG2-CD1 4.12Å; T445-I461 HydrophobicContact CG2-CD1 4.16Å |
| 446 | L | 91.5 | Very high | 87.7 | Confident | 10 Ų | 10 | 65.1 Ų | 65.1 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 118.3 | -178.3 | -59.4 | -179.7 | 0 | 0 | 0 | 110.3 | L414 L434 C435 V437 F448 I453 E454 E455 L727 | L414-L446 HydrophobicContact CD1-CD1 4.01Å; L434-L446 CarbonylContact C-O 3.55Å; L434-L446 WeakPolarHBondContact CA-O 3.37Å; C435-L446 HydrophobicContact CB-CB 4.47Å; C435-L446 PolarHBondContact N-O 3.43Å; C435-L446 PolarHBondContact O-N 3.22Å; V437-L446 HydrophobicContact CG2-CD1 3.68Å; V437-L446 HydrophobicContact CG2-CG 4.04Å; L446-F448 HydrophobicContact CB-CE2 4.32Å; L446-I453 HydrophobicContact CB-CG2 4.12Å; L446-I453 HydrophobicContact CD1-CG2 4.5Å; L446-E454 CarbonylContact C-O 3.55Å; L446-E454 WeakPolarHBondContact CA-O 3.22Å; L446-E455 HydrophobicContact CD2-CB 4.03Å; L446-E455 HydrophobicContact CD2-CG 4.32Å; L446-L727 HydrophobicContact CD1-CD2 3.4Å; L446-L727 VanDerWaalsContact CD1-CD2 3.4Å |
| 447 | M | 88.9 | Confident | 87.6 | Confident | 18 Ų | 18 | 73.3 Ų | 73.3 | 9% | 0.089 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 130.3 | 174.6 | -165.9 | 97.8 | 86.3 | 0 | 0 | 110.3 | Y425 N433 I453 E454 I456 | Y425-M447 HydrophobicContact CD1-CE 3.81Å; Y425-M447 HydrophobicContact CD1-SD 4.12Å; Y425-M447 HydrophobicContact CE1-CE 4.12Å; N433-M447 CarbonylContact O-C 3.38Å; N433-M447 WeakPolarHBondContact O-CA 3.37Å; M447-I453 WeakPolarHBondContact O-CA 3.5Å; M447-E454 PolarHBondContact N-O 3.32Å; M447-E454 PolarHBondContact O-N 3.44Å; M447-I456 HydrophobicContact CB-CD1 4.37Å; M447-I456 HydrophobicContact CB-CG1 4.32Å; M447-I456 HydrophobicContact CB-CG2 4.18Å; M447-I456 HydrophobicContact CE-CD1 3.57Å; M447-I456 HydrophobicContact CE-CG2 4.49Å; M447-I456 HydrophobicContact SD-CD1 4.15Å |
| 448 | F | 81.7 | Confident | 87.4 | Confident | 22 Ų | 22 | 73.4 Ų | 73.4 | 10% | 0.096 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 118.6 | 174.4 | -69.5 | -102.8 | 0 | 0 | 0 | 109.4 | N433 C435 L446 I453 L710 V720 F729 | N433-F448 PolarHBondContact O-N 3.01Å; C435-F448 HydrophobicContact CB-CD2 4.26Å; C435-F448 HydrophobicContact CB-CE2 3.48Å; C435-F448 VanDerWaalsContact CB-CE2 3.48Å; C435-F448 HydrophobicContact CB-CZ 4.36Å; L446-F448 HydrophobicContact CB-CE2 4.32Å; F448-I453 HydrophobicContact CD1-CD1 3.93Å; F448-I453 HydrophobicContact CD1-CG1 3.64Å; F448-I453 HydrophobicContact CE1-CD1 3.48Å; F448-I453 VanDerWaalsContact CE1-CD1 3.48Å; F448-I453 HydrophobicContact CE1-CG1 3.67Å; F448-I453 HydrophobicContact CG-CG1 4.29Å; F448-I453 HydrophobicContact CZ-CD1 4.15Å; F448-I453 HydrophobicContact CZ-CG1 4.31Å; F448-L710 HydrophobicContact CD1-CD1 4.28Å; F448-L710 HydrophobicContact CD2-CD1 3.61Å; F448-L710 HydrophobicContact CE1-CD1 4.31Å; F448-L710 HydrophobicContact CE2-CD1 3.68Å; F448-L710 HydrophobicContact CG-CD1 3.95Å; F448-L710 HydrophobicContact CZ-CD1 4.03Å; F448-V720 HydrophobicContact CE1-CG2 4.21Å; F448-V720 HydrophobicContact CE2-CG2 4.34Å; F448-V720 HydrophobicContact CZ-CG2 3.72Å; F448-F729 HydrophobicContact CE1-CB 4.1Å; F448-F729 HydrophobicContact CE1-CD2 4.12Å; F448-F729 HydrophobicContact CE1-CG 4.04Å |
| 449 | R | 77.8 | Confident | 87.1 | Confident | 150 Ų | 150 | 77.7 Ų | 77.7 | 57% | 0.566 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 170 | 166.7 | -58.5 | -171.5 | -169.9 | -168.5 | 13.4 | 108.7 | N451 E452 E454 | R449-N451 PolarHBondContact O-N 3.12Å; R449-E452 PolarHBondContact N-O 2.98Å; R449-E452 PolarHBondContact O-N 2.89Å; R449-E454 IonicContact CZ-OE2 3.56Å; R449-E454 IonicContact NE-OE2 3.57Å; R449-E454 IonicContact NH2-OE2 3.43Å; R449-E454 PolarHBondContact NH2-OE2 2.96Å |
| 450 | E | 70.8 | Confident | 86.9 | Confident | 154 Ų | 154 | 77.2 Ų | 77.2 | 72% | 0.72 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.9 | -41.7 | -169.1 | -68.6 | -177.1 | 165.4 | 0 | 0 | 114.6 | Y715 | E450-Y715 PolarHBondContact O-OH 2.84Š|
| 451 | N | 68.1 | Low | 87 | Confident | 143 Ų | 143 | 70.8 Ų | 70.8 | 77% | 0.765 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.7 | 8.3 | 179.8 | -68 | -33.9 | 0 | 0 | 0 | 114.7 | R449 | R449-N451 PolarHBondContact O-N 3.12Š|
| 452 | E | 75.6 | Confident | 87.2 | Confident | 145 Ų | 145 | 63.9 Ų | 63.9 | 68% | 0.678 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 147.2 | -174.8 | -68.3 | -174.4 | 170.9 | 0 | 0 | 111.8 | R449 | R449-E452 PolarHBondContact N-O 2.98Å; R449-E452 PolarHBondContact O-N 2.89Å |
| 453 | I | 80.1 | Confident | 87.2 | Confident | 52 Ų | 52 | 62.4 Ų | 62.4 | 27% | 0.267 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 120.7 | 173.9 | -64.4 | 160.3 | 0 | 0 | 0 | 107.9 | F410 L446 M447 F448 | F410-I453 HydrophobicContact CB-CD1 4.4Å; F410-I453 HydrophobicContact CD1-CD1 3.23Å; F410-I453 HydrophobicContact CD2-CD1 4.45Å; F410-I453 HydrophobicContact CE1-CD1 3.42Å; F410-I453 VanDerWaalsContact CE1-CD1 3.42Å; F410-I453 HydrophobicContact CG-CD1 3.79Å; F410-I453 HydrophobicContact CZ-CD1 4.13Å; L446-I453 HydrophobicContact CB-CG2 4.12Å; L446-I453 HydrophobicContact CD1-CG2 4.5Å; M447-I453 WeakPolarHBondContact O-CA 3.5Å; F448-I453 HydrophobicContact CD1-CD1 3.93Å; F448-I453 HydrophobicContact CD1-CG1 3.64Å; F448-I453 HydrophobicContact CE1-CD1 3.48Å; F448-I453 VanDerWaalsContact CE1-CD1 3.48Å; F448-I453 HydrophobicContact CE1-CG1 3.67Å; F448-I453 HydrophobicContact CG-CG1 4.29Å; F448-I453 HydrophobicContact CZ-CD1 4.15Å; F448-I453 HydrophobicContact CZ-CG1 4.31Å |
| 454 | E | 88.3 | Confident | 87 | Confident | 90 Ų | 90 | 69.8 Ų | 69.8 | 42% | 0.421 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 135 | -176.1 | -173.9 | -179.3 | -166.3 | 0 | 0 | 110 | L446 M447 R449 I456 | L446-E454 CarbonylContact C-O 3.55Å; L446-E454 WeakPolarHBondContact CA-O 3.22Å; M447-E454 PolarHBondContact N-O 3.32Å; M447-E454 PolarHBondContact O-N 3.44Å; R449-E454 IonicContact CZ-OE2 3.56Å; R449-E454 IonicContact NE-OE2 3.57Å; R449-E454 IonicContact NH2-OE2 3.43Å; R449-E454 PolarHBondContact NH2-OE2 2.96Å; E454-I456 HydrophobicContact CG-CG2 4.18Å |
| 455 | E | 91 | Very high | 86.9 | Confident | 108 Ų | 108 | 69.9 Ų | 69.9 | 51% | 0.505 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 122.5 | 169.8 | -174.9 | 170.8 | 171.8 | 0 | 0 | 109.1 | K444 T445 L446 | K444-E455 WeakPolarHBondContact CD-OE1 3.41Å; K444-E455 WeakPolarHBondContact CE-OE1 3.4Å; K444-E455 IonicContact NZ-OE1 3.88Å; K444-E455 PolarHBondContact NZ-OE1 3.3Å; K444-E455 IonicContact NZ-OE2 3.94Å; K444-E455 PolarHBondContact NZ-OE2 3.23Å; T445-E455 WeakPolarHBondContact O-CA 3.36Å; L446-E455 HydrophobicContact CD2-CB 4.03Å; L446-E455 HydrophobicContact CD2-CG 4.32Å |
| 456 | I | 92 | Very high | 86.9 | Confident | 25 Ų | 25 | 73.3 Ų | 73.3 | 13% | 0.128 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 156.3 | -179.4 | 61.4 | 155.2 | 0 | 0 | 0 | 110.5 | Y425 L434 T445 M447 E454 I458 | Y425-I456 HydrophobicContact CD1-CD1 4.17Å; Y425-I456 HydrophobicContact CE1-CD1 4.02Å; L434-I456 HydrophobicContact CD1-CD1 4Å; L434-I456 HydrophobicContact CD1-CG1 4.26Å; T445-I456 WeakPolarHBondContact CB-O 3.42Å; T445-I456 PolarHBondContact O-N 3.15Å; T445-I456 PolarHBondContact OG1-O 3.25Å; M447-I456 HydrophobicContact CB-CD1 4.37Å; M447-I456 HydrophobicContact CB-CG1 4.32Å; M447-I456 HydrophobicContact CB-CG2 4.18Å; M447-I456 HydrophobicContact CE-CD1 3.57Å; M447-I456 HydrophobicContact CE-CG2 4.49Å; M447-I456 HydrophobicContact SD-CD1 4.15Å; E454-I456 HydrophobicContact CG-CG2 4.18Å; I456-I458 HydrophobicContact CD1-CD1 3.85Å; I456-I458 HydrophobicContact CD1-CG1 3.79Å; I456-I458 HydrophobicContact CG1-CG1 4.42Å |
| 457 | E | 91.6 | Very high | 87.1 | Confident | 173 Ų | 173 | 73.1 Ų | 73.1 | 81% | 0.808 | 37% | 0.366 | S | S | * | . | trans | -108.4 | 128.7 | 171.4 | -65.9 | -177.7 | 179.5 | 0 | 0 | 109.6 | L463 | E457-L463 HydrophobicContact CB-CD1 4.2Å; E457-L463 HydrophobicContact CG-CD1 3.91Å | ||
| 458 | I | 91.2 | Very high | 87.2 | Confident | 3 Ų | 3 | 74.2 Ų | 74.2 | 2% | 0.015 | 37% | 0.371 | C | S | . | . | trans | -112.4 | 120.2 | 179.3 | -57.9 | 179.1 | 0 | 0 | 0 | 108 | Y425 L434 T445 I456 G460 I461 V492 | Y425-I458 HydrophobicContact CD1-CD1 4.21Å; Y425-I458 HydrophobicContact CD2-CD1 4.06Å; Y425-I458 HydrophobicContact CE1-CD1 4.16Å; Y425-I458 HydrophobicContact CE1-CG1 4.39Å; Y425-I458 HydrophobicContact CE2-CD1 4.02Å; Y425-I458 HydrophobicContact CE2-CG1 4.44Å; Y425-I458 HydrophobicContact CE2-CG2 4.12Å; Y425-I458 HydrophobicContact CG-CD1 4.15Å; L434-I458 HydrophobicContact CD1-CD1 4.18Å; L434-I458 HydrophobicContact CD2-CD1 3.54Å; T445-I458 HydrophobicContact CG2-CD1 4.12Å; I456-I458 HydrophobicContact CD1-CD1 3.85Å; I456-I458 HydrophobicContact CD1-CG1 3.79Å; I456-I458 HydrophobicContact CG1-CG1 4.42Å; I458-G460 VanDerWaalsContact C-N 3.31Å; I458-G460 PolarHBondContact O-N 2.75Å; I458-G460 VanDerWaalsContact O-N 3.17Å; I458-I461 HydrophobicContact CB-CB 4.24Å; I458-I461 HydrophobicContact CB-CD1 3.91Å; I458-I461 HydrophobicContact CB-CG1 3.97Å; I458-I461 HydrophobicContact CD1-CD1 3.81Å; I458-I461 HydrophobicContact CG1-CD1 4.39Å; I458-I461 HydrophobicContact CG2-CD1 3.95Å; I458-I461 HydrophobicContact CG2-CG1 3.85Å; I458-I461 PolarHBondContact O-N 2.94Å; I458-V492 HydrophobicContact CG2-CG1 4.29Å | ||
| 459 | A | 87.9 | Confident | 87.7 | Confident | 91 Ų | 91 | 73.8 Ų | 73.8 | 75% | 0.752 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -36.4 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 460 | G | 89.6 | Confident | 88.5 | Confident | 5 Ų | 5 | 67 Ų | 67 | 5% | 0.052 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -11.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | I458 V492 G498 | I458-G460 VanDerWaalsContact C-N 3.31Å; I458-G460 PolarHBondContact O-N 2.75Å; I458-G460 VanDerWaalsContact O-N 3.17Å; G460-V492 VanDerWaalsContact C-CG2 3.48Å; G460-V492 VanDerWaalsContact O-CG2 3.26Å; G460-V492 WeakPolarHBondContact O-CG2 3.28Å; G460-G498 VanDerWaalsContact CA-O 3.29Å; G460-G498 WeakPolarHBondContact CA-O 3.32Å; G460-G498 PolarHBondContact N-O 2.85Å |
| 461 | I | 93.1 | Very high | 89.4 | Confident | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -88.3 | 128.2 | 180 | -61.6 | -170.8 | 0 | 0 | 0 | 109.1 | L436 T445 I458 L463 I481 V492 | L436-I461 HydrophobicContact CD1-CD1 3.77Å; L436-I461 HydrophobicContact CD2-CG2 4.28Å; T445-I461 HydrophobicContact CG2-CD1 4.16Å; I458-I461 HydrophobicContact CB-CB 4.24Å; I458-I461 HydrophobicContact CB-CD1 3.91Å; I458-I461 HydrophobicContact CB-CG1 3.97Å; I458-I461 HydrophobicContact CD1-CD1 3.81Å; I458-I461 HydrophobicContact CG1-CD1 4.39Å; I458-I461 HydrophobicContact CG2-CD1 3.95Å; I458-I461 HydrophobicContact CG2-CG1 3.85Å; I458-I461 PolarHBondContact O-N 2.94Å; I461-L463 HydrophobicContact CG2-CD2 4.14Å; I461-L463 PolarHBondContact O-N 3.13Å; I461-I481 HydrophobicContact CD1-CG2 4.35Å; I461-V492 HydrophobicContact CG1-CG1 4.41Å; I461-V492 HydrophobicContact CG1-CG2 4.28Å |
| 462 | A | 93.3 | Very high | 90.5 | Very high | 16 Ų | 16 | 54.5 Ų | 54.5 | 13% | 0.132 | 29% | 0.286 | C | S | . | . | trans | -75.2 | 110.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q483 T485 | A462-Q483 PolarHBondContact O-NE2 3.16Å; A462-T485 HydrophobicContact CB-CG2 4.14Å | ||
| 463 | L | 93.8 | Very high | 91.1 | Very high | 41 Ų | 41 | 47.7 Ų | 47.7 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | trans | -89.6 | -26.7 | 178.6 | -58.3 | 177.3 | 0 | 0 | 0 | 112.4 | H442 T443 E457 I461 D465 | H442-L463 CarbonylContact C-O 3.23Å; H442-L463 WeakPolarHBondContact CA-O 3.38Å; H442-L463 WeakPolarHBondContact CB-O 3.35Å; T443-L463 PolarHBondContact N-O 3.23Å; T443-L463 WeakPolarHBondContact O-CD2 3.47Å; E457-L463 HydrophobicContact CB-CD1 4.2Å; E457-L463 HydrophobicContact CG-CD1 3.91Å; I461-L463 HydrophobicContact CG2-CD2 4.14Å; I461-L463 PolarHBondContact O-N 3.13Å; L463-D465 PolarHBondContact O-N 3.21Å | ||
| 464 | D | 93 | Very high | 91.2 | Very high | 159 Ų | 159 | 47.9 Ų | 47.9 | 85% | 0.85 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -80.5 | 3.9 | -176.5 | -64.8 | -41.5 | 0 | 0 | 0 | 114.8 | K441 | K441-D464 CarbonylContact O-C 3.58Š|
| 465 | D | 91.8 | Very high | 90.5 | Very high | 52 Ų | 52 | 48.3 Ų | 48.3 | 28% | 0.278 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -135.3 | 161 | -179.8 | -160 | -0.9 | 0 | 0 | 0 | 110.4 | H442 T443 L463 T485 P486 | H442-D465 CarbonylContact C-O 3.56Å; H442-D465 VanDerWaalsContact C-O 3.23Å; H442-D465 WeakPolarHBondContact CA-O 3.11Å; T443-D465 PolarHBondContact N-O 3.32Å; T443-D465 PolarHBondContact OG1-O 2.91Å; L463-D465 PolarHBondContact O-N 3.21Å; D465-T485 PolarHBondContact OD2-OG1 2.97Å; D465-P486 WeakPolarHBondContact OD2-CD 3.29Å |
| 466 | R | 94.2 | Very high | 89.5 | Confident | 75 Ų | 75 | 48 Ų | 48 | 28% | 0.283 | 28% | 0.275 | S | S | . | . | trans | -74 | 147.3 | 175.1 | 72.5 | 178.6 | -170.5 | -169.9 | -4.1 | 110.4 | F439 H468 T485 P486 | F439-R466 WeakPolarHBondContact O-CB 3.38Å; R466-H468 PolarHBondContact NE-CE1 3.01Å; R466-H468 PolarHBondContact NE-NE2 3.18Å; R466-H468 PolarHBondContact NH2-CE1 3.5Å; R466-H468 PolarHBondContact NH2-NE2 2.77Å; R466-T485 WeakPolarHBondContact O-CB 3.49Å; R466-P486 HydrophobicContact CG-CG 3.65Å; R466-P486 WeakPolarHBondContact O-CD 3.2Å | ||
| 467 | T | 95.2 | Very high | 88.6 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | trans | -96.6 | 132.8 | 173.9 | -60.4 | 0 | 0 | 0 | 0 | 109.6 | W421 L436 S438 T443 C469 A470 Q483 V484 | W421-T467 HydrophobicContact CE3-CG2 4.29Å; W421-T467 HydrophobicContact CH2-CG2 3.94Å; W421-T467 WeakPolarHBondContact CH2-O 3.13Å; W421-T467 HydrophobicContact CZ2-CG2 4.42Å; W421-T467 HydrophobicContact CZ3-CG2 3.89Å; L436-T467 HydrophobicContact CD2-CG2 4.14Å; S438-T467 PolarHBondContact OG-N 3.1Å; S438-T467 PolarHBondContact OG-O 3.39Å; T443-T467 WeakPolarHBondContact CG2-OG1 3.33Å; T443-T467 PolarHBondContact OG1-N 3.18Å; T443-T467 PolarHBondContact OG1-OG1 2.68Å; T467-C469 WeakPolarHBondContact CG2-O 3.38Å; T467-A470 HydrophobicContact CG2-CB 4.13Å; T467-Q483 HydrophobicContact CG2-CG 3.85Å; T467-Q483 PolarHBondContact OG1-NE2 2.76Å; T467-V484 CarbonylContact C-O 3.58Å | ||
| 468 | H | 91.8 | Very high | 88.1 | Confident | 42 Ų | 42 | 50.4 Ų | 50.4 | 19% | 0.194 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -94.8 | -33.3 | 174.4 | -82.1 | -59.3 | 0 | 0 | 0 | 112.8 | W421 R466 V484 I512 N513 | W421-H468 WeakPolarHBondContact CZ2-O 3.48Å; R466-H468 PolarHBondContact NE-CE1 3.01Å; R466-H468 PolarHBondContact NE-NE2 3.18Å; R466-H468 PolarHBondContact NH2-CE1 3.5Å; R466-H468 PolarHBondContact NH2-NE2 2.77Å; H468-V484 HydrophobicContact CB-CG1 4.41Å; H468-V484 PolarHBondContact N-O 3.27Å; H468-I512 PolarHBondContact CD2-O 3.13Å; H468-I512 PolarHBondContact NE2-O 3.36Å; H468-N513 PolarHBondContact CE1-O 2.83Å; H468-N513 PolarHBondContact ND1-O 2.89Å |
| 469 | C | 92.5 | Very high | 87.9 | Confident | 12 Ų | 12 | 51 Ų | 51 | 8% | 0.081 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 139.3 | 177.2 | -173.2 | 0 | 0 | 0 | 0 | 109 | T467 V484 A515 | T467-C469 WeakPolarHBondContact CG2-O 3.38Å; C469-V484 HydrophobicContact CB-CB 4.19Å; C469-V484 HydrophobicContact CB-CG2 4.1Å; C469-V484 PolarHBondContact O-N 3.41Å; C469-A515 HydrophobicContact CB-CB 3.75Å |
| 470 | A | 93.5 | Very high | 88.1 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 6% | 0.058 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 142.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | W421 L423 L436 T467 V482 | W421-A470 HydrophobicContact CB-CB 4.04Å; W421-A470 HydrophobicContact CD2-CB 4.12Å; W421-A470 HydrophobicContact CG-CB 3.9Å; L423-A470 HydrophobicContact CD1-CB 4.2Å; L423-A470 HydrophobicContact CD2-CB 4.5Å; L436-A470 HydrophobicContact CD2-CB 4.04Å; T467-A470 HydrophobicContact CG2-CB 4.13Å; A470-V482 WeakPolarHBondContact CA-O 3.5Å |
| 471 | A | 90.9 | Very high | 88.3 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 7% | 0.074 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 149 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V482 C517 | A471-V482 PolarHBondContact N-O 3.21Å; A471-V482 VanDerWaalsContact N-O 3.12Å; A471-V482 PolarHBondContact O-N 3.45Å; A471-C517 HydrophobicContact CB-CB 3.9Å |
| 472 | N | 90.6 | Very high | 88.4 | Confident | 26 Ų | 26 | 46.2 Ų | 46.2 | 14% | 0.139 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 138.3 | 163.4 | -69.4 | 95.8 | 0 | 0 | 0 | 110.4 | L423 S424 N479 Q480 S519 | L423-N472 WeakPolarHBondContact CA-OD1 3.31Å; L423-N472 VanDerWaalsContact CB-OD1 3.27Å; L423-N472 WeakPolarHBondContact CB-OD1 3.49Å; L423-N472 WeakPolarHBondContact CD2-OD1 3.47Å; S424-N472 PolarHBondContact N-OD1 3.4Å; S424-N472 PolarHBondContact O-ND2 3.32Å; N472-N479 WeakPolarHBondContact CB-OD1 3.43Å; N472-N479 PolarHBondContact ND2-ND2 3.02Å; N472-N479 PolarHBondContact ND2-OD1 2.99Å; N472-Q480 CarbonylContact C-O 3.57Å; N472-Q480 VanDerWaalsContact CA-O 3.24Å; N472-Q480 WeakPolarHBondContact CA-O 3.26Å; N472-S519 WeakPolarHBondContact O-CA 3.44Å; N472-S519 WeakPolarHBondContact O-CB 3.35Å |
| 473 | V | 88.9 | Confident | 88.6 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 152.6 | 174.2 | -58.4 | 0 | 0 | 0 | 0 | 109.2 | Q480 V482 L491 V537 | V473-Q480 HydrophobicContact CG2-CB 3.79Å; V473-Q480 PolarHBondContact N-O 3.29Å; V473-Q480 PolarHBondContact O-N 3.36Å; V473-V482 HydrophobicContact CB-CG2 4.42Å; V473-V482 HydrophobicContact CG1-CG2 3.72Å; V473-V482 HydrophobicContact CG2-CG2 3.76Å; V473-L491 HydrophobicContact CG2-CD1 3.85Å; V473-V537 HydrophobicContact CG2-CG1 4.5Å; V473-V537 HydrophobicContact CG2-CG2 4.35Å |
| 474 | G | 81 | Confident | 88.7 | Confident | 56 Ų | 56 | 43.5 Ų | 43.5 | 58% | 0.577 | 23% | 0.232 | S | C | * | . | S | Bend | trans | 92.8 | 179.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 475 | D | 74.8 | Confident | 88.7 | Confident | 99 Ų | 99 | 36 Ų | 36 | 53% | 0.529 | 19% | 0.192 | S | C | . | . | trans | -86.7 | 177.7 | 175.2 | 71.1 | 1.9 | 0 | 0 | 0 | 110.9 | K477 N478 N479 | D475-K477 PolarHBondContact O-N 3.04Å; D475-K477 VanDerWaalsContact O-N 3.11Å; D475-K477 PolarHBondContact OD1-N 3.33Å; D475-K477 VanDerWaalsContact OD1-N 3.08Å; D475-N478 CarbonylContact O-C 3.57Å; D475-N478 VanDerWaalsContact O-C 3.23Å; D475-N478 PolarHBondContact O-N 3.49Å; D475-N478 PolarHBondContact OD1-N 3.43Å; D475-N479 WeakPolarHBondContact O-CA 3.24Å; D475-N479 PolarHBondContact O-N 2.85Å | ||
| 476 | I | 69.4 | Low | 88.8 | Confident | 101 Ų | 101 | 34.5 Ų | 34.5 | 52% | 0.518 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -58.5 | -27.4 | -179.9 | -64.3 | 167.1 | 0 | 0 | 0 | 111.8 | E428 | E428-I476 VanDerWaalsContact O-CG2 3.3Å; E428-I476 WeakPolarHBondContact O-CG2 3.42Å |
| 477 | K | 72.4 | Confident | 88.6 | Confident | 187 Ų | 187 | 32.7 Ų | 32.7 | 81% | 0.813 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -87.1 | -24.9 | -176.9 | -67.7 | -175.8 | 178.7 | -179.8 | 0 | 113.4 | D475 | D475-K477 PolarHBondContact O-N 3.04Å; D475-K477 VanDerWaalsContact O-N 3.11Å; D475-K477 PolarHBondContact OD1-N 3.33Å; D475-K477 VanDerWaalsContact OD1-N 3.08Å |
| 478 | N | 81.2 | Confident | 88.5 | Confident | 63 Ų | 63 | 33 Ų | 33 | 34% | 0.337 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -127.6 | 52.3 | 175.6 | -165.2 | 23.5 | 0 | 0 | 0 | 109.4 | D475 Q480 D540 | D475-N478 CarbonylContact O-C 3.57Å; D475-N478 VanDerWaalsContact O-C 3.23Å; D475-N478 PolarHBondContact O-N 3.49Å; D475-N478 PolarHBondContact OD1-N 3.43Å; N478-Q480 PolarHBondContact ND2-NE2 2.91Å; N478-Q480 PolarHBondContact O-N 3.37Å; N478-Q480 PolarHBondContact OD1-NE2 3.17Å; N478-D540 PolarHBondContact ND2-OD1 3.49Å |
| 479 | N | 87.4 | Confident | 88.6 | Confident | 15 Ų | 15 | 31 Ų | 31 | 8% | 0.08 | 18% | 0.183 | C | C | . | . | trans | -74.3 | 123.1 | 180 | 179.9 | 25 | 0 | 0 | 0 | 109.2 | S424 N472 D475 A494 T495 | S424-N479 PolarHBondContact O-ND2 3.33Å; S424-N479 VanDerWaalsContact O-ND2 3.09Å; N472-N479 WeakPolarHBondContact CB-OD1 3.43Å; N472-N479 PolarHBondContact ND2-ND2 3.02Å; N472-N479 PolarHBondContact ND2-OD1 2.99Å; D475-N479 WeakPolarHBondContact O-CA 3.24Å; D475-N479 PolarHBondContact O-N 2.85Å; N479-A494 HydrophobicContact CB-CB 4.38Å; N479-A494 WeakPolarHBondContact O-CA 3.38Å; N479-A494 VanDerWaalsContact O-CB 3.27Å; N479-A494 WeakPolarHBondContact O-CB 3.38Å; N479-A494 PolarHBondContact O-N 3.28Å; N479-T495 HydrophobicContact CB-CG2 3.95Å | ||
| 480 | Q | 92.2 | Very high | 88.8 | Confident | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.019 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 149 | -178.2 | -62.2 | 169.9 | -6.5 | 0 | 0 | 109.4 | N472 V473 N478 L491 V492 I501 D540 | N472-Q480 CarbonylContact C-O 3.57Å; N472-Q480 VanDerWaalsContact CA-O 3.24Å; N472-Q480 WeakPolarHBondContact CA-O 3.26Å; V473-Q480 HydrophobicContact CG2-CB 3.79Å; V473-Q480 PolarHBondContact N-O 3.29Å; V473-Q480 PolarHBondContact O-N 3.36Å; N478-Q480 PolarHBondContact ND2-NE2 2.91Å; N478-Q480 PolarHBondContact O-N 3.37Å; N478-Q480 PolarHBondContact OD1-NE2 3.17Å; Q480-L491 HydrophobicContact CB-CD1 3.88Å; Q480-L491 HydrophobicContact CB-CG 4.44Å; Q480-V492 CarbonylContact C-O 3.5Å; Q480-V492 WeakPolarHBondContact CA-O 3.41Å; Q480-V492 WeakPolarHBondContact CB-O 3.26Å; Q480-I501 HydrophobicContact CB-CD1 4.5Å; Q480-I501 HydrophobicContact CG-CD1 3.72Å; Q480-D540 PolarHBondContact NE2-OD1 2.78Å |
| 481 | I | 93.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122.7 | 174 | -70.8 | 158.5 | 0 | 0 | 0 | 108.6 | L423 Y425 L434 I461 V492 A494 | L423-I481 HydrophobicContact CD1-CD1 4.38Å; L423-I481 HydrophobicContact CD1-CG1 4.33Å; L423-I481 HydrophobicContact CD1-CG2 4.02Å; Y425-I481 HydrophobicContact CD2-CD1 4.14Å; L434-I481 HydrophobicContact CD2-CD1 4.14Å; I461-I481 HydrophobicContact CD1-CG2 4.35Å; I481-V492 HydrophobicContact CB-CB 4.37Å; I481-V492 PolarHBondContact N-O 3.45Å; I481-V492 PolarHBondContact O-N 2.79Å; I481-A494 HydrophobicContact CD1-CB 3.71Å; I481-A494 HydrophobicContact CG1-CB 3.8Å |
| 482 | V | 95.2 | Very high | 89 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 130.6 | 165.1 | 175 | 0 | 0 | 0 | 0 | 108.1 | A470 A471 V473 V484 V489 R490 L491 I524 V537 | A470-V482 WeakPolarHBondContact CA-O 3.5Å; A471-V482 PolarHBondContact N-O 3.21Å; A471-V482 VanDerWaalsContact N-O 3.12Å; A471-V482 PolarHBondContact O-N 3.45Å; V473-V482 HydrophobicContact CB-CG2 4.42Å; V473-V482 HydrophobicContact CG1-CG2 3.72Å; V473-V482 HydrophobicContact CG2-CG2 3.76Å; V482-V484 HydrophobicContact CG1-CG2 4.29Å; V482-V489 HydrophobicContact CG1-CG1 4.04Å; V482-R490 CarbonylContact C-O 3.56Å; V482-R490 VanDerWaalsContact CA-O 3.32Å; V482-R490 WeakPolarHBondContact CA-O 3.49Å; V482-L491 HydrophobicContact CG2-CD1 3.62Å; V482-I524 HydrophobicContact CB-CD1 4.47Å; V482-I524 HydrophobicContact CG1-CD1 3.64Å; V482-I524 HydrophobicContact CG1-CG1 4.2Å; V482-I524 HydrophobicContact CG2-CD1 4Å; V482-V537 HydrophobicContact CG2-CG2 4.17Å |
| 483 | Q | 95.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.4 | 169.8 | -174.2 | -164.1 | 17.2 | 0 | 0 | 109.2 | L436 A462 T467 T485 R490 | L436-Q483 HydrophobicContact CD2-CG 4.47Å; A462-Q483 PolarHBondContact O-NE2 3.16Å; T467-Q483 HydrophobicContact CG2-CG 3.85Å; T467-Q483 PolarHBondContact OG1-NE2 2.76Å; Q483-T485 HydrophobicContact CG-CG2 4.23Å; Q483-R490 HydrophobicContact CB-CB 4.46Å; Q483-R490 PolarHBondContact N-O 3.08Å; Q483-R490 PolarHBondContact O-N 3.2Å |
| 484 | V | 95.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 124.7 | 173 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | T467 H468 C469 V482 V489 I512 A515 I524 I526 | T467-V484 CarbonylContact C-O 3.58Å; H468-V484 HydrophobicContact CB-CG1 4.41Å; H468-V484 PolarHBondContact N-O 3.27Å; C469-V484 HydrophobicContact CB-CB 4.19Å; C469-V484 HydrophobicContact CB-CG2 4.1Å; C469-V484 PolarHBondContact O-N 3.41Å; V482-V484 HydrophobicContact CG1-CG2 4.29Å; V484-V489 HydrophobicContact CG1-CG2 4.01Å; V484-V489 HydrophobicContact CG2-CG1 4.09Å; V484-V489 HydrophobicContact CG2-CG2 4.07Å; V484-I512 HydrophobicContact CG1-CD1 4.07Å; V484-I512 HydrophobicContact CG1-CG2 3.96Å; V484-A515 HydrophobicContact CB-CB 3.9Å; V484-A515 HydrophobicContact CG1-CB 3.68Å; V484-A515 HydrophobicContact CG2-CB 3.84Å; V484-I524 HydrophobicContact CG2-CG2 4.36Å; V484-I526 HydrophobicContact CG1-CG2 4.31Å |
| 485 | T | 95 | Very high | 89.4 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | trans | -115.1 | 170.4 | 172.6 | 80.2 | 0 | 0 | 0 | 0 | 109.7 | A462 D465 R466 Q483 G487 C488 | A462-T485 HydrophobicContact CB-CG2 4.14Å; D465-T485 PolarHBondContact OD2-OG1 2.97Å; R466-T485 WeakPolarHBondContact O-CB 3.49Å; Q483-T485 HydrophobicContact CG-CG2 4.23Å; T485-G487 PolarHBondContact O-N 3.48Å; T485-G487 PolarHBondContact OG1-N 3.17Å; T485-C488 PolarHBondContact N-O 2.88Å; T485-C488 PolarHBondContact O-N 2.84Å; T485-C488 PolarHBondContact OG1-N 3.21Å | ||
| 486 | P | 92.2 | Very high | 89.9 | Confident | 20 Ų | 20 | 30.4 Ų | 30.4 | 13% | 0.13 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -51.3 | -34.2 | 174.1 | -30.3 | 33.3 | 0 | 0 | 0 | 114.9 | D465 R466 P511 I512 | D465-P486 WeakPolarHBondContact OD2-CD 3.29Å; R466-P486 HydrophobicContact CG-CG 3.65Å; R466-P486 WeakPolarHBondContact O-CD 3.2Å; P486-P511 HydrophobicContact CB-CB 4.11Å; P486-P511 CarbonylContact O-C 3.6Å; P486-P511 WeakPolarHBondContact O-CA 3.49Å; P486-I512 PolarHBondContact O-N 3.44Å |
| 487 | G | 90 | Very high | 90.5 | Very high | 38 Ų | 38 | 30.6 Ų | 30.6 | 39% | 0.392 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -90.5 | -31.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T485 | T485-G487 PolarHBondContact O-N 3.48Å; T485-G487 PolarHBondContact OG1-N 3.17Å |
| 488 | C | 93.3 | Very high | 91.2 | Very high | 11 Ų | 11 | 21.7 Ų | 21.7 | 7% | 0.074 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 166.6 | -168 | 64.8 | 0 | 0 | 0 | 0 | 113.7 | T485 R490 W504 | T485-C488 PolarHBondContact N-O 2.88Å; T485-C488 PolarHBondContact O-N 2.84Å; T485-C488 PolarHBondContact OG1-N 3.21Å; C488-R490 PolarHBondContact SG-NH1 3.19Å; C488-W504 CarbonylContact C-O 3.55Å; C488-W504 VanDerWaalsContact CA-O 3.29Å; C488-W504 WeakPolarHBondContact CA-O 3.3Å; C488-W504 VanDerWaalsContact CB-O 3.26Å; C488-W504 WeakPolarHBondContact CB-O 3.17Å |
| 489 | V | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 126.3 | 167.2 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | V482 V484 F503 W504 I512 I524 I526 L535 L542 | V482-V489 HydrophobicContact CG1-CG1 4.04Å; V484-V489 HydrophobicContact CG1-CG2 4.01Å; V484-V489 HydrophobicContact CG2-CG1 4.09Å; V484-V489 HydrophobicContact CG2-CG2 4.07Å; V489-F503 CarbonylContact O-C 3.57Å; V489-F503 VanDerWaalsContact O-CA 3.24Å; V489-F503 WeakPolarHBondContact O-CA 3.35Å; V489-W504 HydrophobicContact CB-CB 4.29Å; V489-W504 HydrophobicContact CB-CE3 4.46Å; V489-W504 HydrophobicContact CG2-CE3 3.96Å; V489-W504 PolarHBondContact N-O 3.08Å; V489-W504 PolarHBondContact O-N 3.25Å; V489-I512 HydrophobicContact CG2-CD1 4.12Å; V489-I524 HydrophobicContact CG1-CD1 4.16Å; V489-I526 HydrophobicContact CG2-CD1 4.37Å; V489-I526 HydrophobicContact CG2-CG2 4.17Å; V489-L535 HydrophobicContact CB-CD1 4.28Å; V489-L535 HydrophobicContact CG1-CD1 4.42Å; V489-L535 HydrophobicContact CG2-CD1 3.87Å; V489-L542 HydrophobicContact CB-CD1 4.2Å; V489-L542 HydrophobicContact CG1-CD1 3.82Å; V489-L542 HydrophobicContact CG1-CD2 3.99Å; V489-L542 WeakPolarHBondContact O-CD1 3.33Å |
| 490 | R | 95.3 | Very high | 92 | Very high | 74 Ų | 74 | 25.3 Ų | 25.3 | 28% | 0.279 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 140.6 | 179.8 | -70 | -180 | 145.2 | 98.7 | 0.7 | 110.1 | V482 Q483 C488 V492 L500 | V482-R490 CarbonylContact C-O 3.56Å; V482-R490 VanDerWaalsContact CA-O 3.32Å; V482-R490 WeakPolarHBondContact CA-O 3.49Å; Q483-R490 HydrophobicContact CB-CB 4.46Å; Q483-R490 PolarHBondContact N-O 3.08Å; Q483-R490 PolarHBondContact O-N 3.2Å; C488-R490 PolarHBondContact SG-NH1 3.19Å; R490-V492 HydrophobicContact CB-CG2 4.49Å; R490-L500 HydrophobicContact CB-CD1 3.78Å; R490-L500 HydrophobicContact CG-CD1 3.91Å |
| 491 | L | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 121.9 | 171.1 | -174.5 | 70.2 | 0 | 0 | 0 | 108.1 | V473 Q480 V482 I501 S502 V537 D540 L542 | V473-L491 HydrophobicContact CG2-CD1 3.85Å; Q480-L491 HydrophobicContact CB-CD1 3.88Å; Q480-L491 HydrophobicContact CB-CG 4.44Å; V482-L491 HydrophobicContact CG2-CD1 3.62Å; L491-I501 HydrophobicContact CD2-CB 4.38Å; L491-I501 HydrophobicContact CD2-CG2 4.21Å; L491-I501 HydrophobicContact CG-CB 4.36Å; L491-I501 HydrophobicContact CG-CD1 4.45Å; L491-I501 WeakPolarHBondContact O-CB 3.34Å; L491-I501 PolarHBondContact O-N 3Å; L491-S502 PolarHBondContact N-O 3.25Å; L491-S502 PolarHBondContact O-N 2.77Å; L491-V537 HydrophobicContact CD1-CG1 4.15Å; L491-V537 HydrophobicContact CD1-CG2 4.03Å; L491-V537 HydrophobicContact CD2-CG1 3.81Å; L491-D540 WeakPolarHBondContact CD2-O 3.17Å; L491-L542 HydrophobicContact CB-CD1 4.13Å; L491-L542 HydrophobicContact CB-CG 4.22Å |
| 492 | V | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139.9 | -170 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | I458 G460 I461 Q480 I481 R490 G498 H499 L500 | I458-V492 HydrophobicContact CG2-CG1 4.29Å; G460-V492 VanDerWaalsContact C-CG2 3.48Å; G460-V492 VanDerWaalsContact O-CG2 3.26Å; G460-V492 WeakPolarHBondContact O-CG2 3.28Å; I461-V492 HydrophobicContact CG1-CG1 4.41Å; I461-V492 HydrophobicContact CG1-CG2 4.28Å; Q480-V492 CarbonylContact C-O 3.5Å; Q480-V492 WeakPolarHBondContact CA-O 3.41Å; Q480-V492 WeakPolarHBondContact CB-O 3.26Å; I481-V492 HydrophobicContact CB-CB 4.37Å; I481-V492 PolarHBondContact N-O 3.45Å; I481-V492 PolarHBondContact O-N 2.79Å; R490-V492 HydrophobicContact CB-CG2 4.49Å; V492-G498 WeakPolarHBondContact CG1-O 3.29Å; V492-H499 WeakPolarHBondContact CA-O 3.44Å; V492-L500 HydrophobicContact CG2-CD1 4.26Å |
| 493 | D | 92.2 | Very high | 91.9 | Very high | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.043 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 132.2 | 173.6 | 178.9 | 34.9 | 0 | 0 | 0 | 110.7 | T495 S496 G498 H499 I501 | D493-T495 PolarHBondContact OD1-N 3.48Å; D493-T495 PolarHBondContact OD1-OG1 3.13Å; D493-T495 PolarHBondContact OD2-OG1 3.5Å; D493-S496 VanDerWaalsContact OD2-CB 3.29Å; D493-S496 WeakPolarHBondContact OD2-CB 3.14Å; D493-S496 PolarHBondContact OD2-N 2.69Å; D493-S496 PolarHBondContact OD2-OG 2.95Å; D493-G498 VanDerWaalsContact O-CA 3.22Å; D493-G498 WeakPolarHBondContact O-CA 3.47Å; D493-H499 PolarHBondContact N-O 2.65Å; D493-H499 IonicContact OD2-CE1 3.11Å; D493-I501 HydrophobicContact CB-CD1 3.87Å; D493-I501 HydrophobicContact CB-CG1 4.12Å |
| 494 | A | 90.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -108.2 | -0.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y425 L426 N479 I481 | Y425-A494 HydrophobicContact CD2-CB 4.21Å; L426-A494 PolarHBondContact N-O 3.24Å; N479-A494 HydrophobicContact CB-CB 4.38Å; N479-A494 WeakPolarHBondContact O-CA 3.38Å; N479-A494 VanDerWaalsContact O-CB 3.27Å; N479-A494 WeakPolarHBondContact O-CB 3.38Å; N479-A494 PolarHBondContact O-N 3.28Å; I481-A494 HydrophobicContact CD1-CB 3.71Å; I481-A494 HydrophobicContact CG1-CB 3.8Å |
| 495 | T | 86.3 | Confident | 91.5 | Very high | 63 Ų | 63 | 41.2 Ų | 41.2 | 39% | 0.387 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -89.8 | -24.3 | 179.7 | 65.6 | 0 | 0 | 0 | 0 | 113.5 | L426 N479 D493 | L426-T495 WeakPolarHBondContact CD2-O 3.46Å; N479-T495 HydrophobicContact CB-CG2 3.95Å; D493-T495 PolarHBondContact OD1-N 3.48Å; D493-T495 PolarHBondContact OD1-OG1 3.13Å; D493-T495 PolarHBondContact OD2-OG1 3.5Å |
| 496 | S | 85.1 | Confident | 91 | Very high | 53 Ų | 53 | 42.8 Ų | 42.8 | 37% | 0.371 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -127.9 | -123.6 | -178.3 | 72.9 | 0 | 0 | 0 | 0 | 113.7 | L426 D493 G498 | L426-S496 WeakPolarHBondContact CD2-O 3.29Å; D493-S496 VanDerWaalsContact OD2-CB 3.29Å; D493-S496 WeakPolarHBondContact OD2-CB 3.14Å; D493-S496 PolarHBondContact OD2-N 2.69Å; D493-S496 PolarHBondContact OD2-OG 2.95Å; S496-G498 VanDerWaalsContact C-N 3.28Å; S496-G498 PolarHBondContact O-N 3.43Å |
| 497 | D | 81.9 | Confident | 90.5 | Very high | 104 Ų | 104 | 51.2 Ų | 51.2 | 56% | 0.556 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -81.6 | 1.9 | -169.5 | 66.6 | -12.8 | 0 | 0 | 0 | 114.8 | H499 | D497-H499 WeakPolarHBondContact OD1-CB 3.3Å; D497-H499 IonicContact OD1-CE1 3.23Å; D497-H499 IonicContact OD1-CG 3.9Å; D497-H499 PolarHBondContact OD1-N 2.74Å; D497-H499 VanDerWaalsContact OD1-N 3.14Å; D497-H499 IonicContact OD1-ND1 2.77Å; D497-H499 PolarHBondContact OD1-ND1 3.1Å |
| 498 | G | 87.1 | Confident | 90 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | 78.4 | 22.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G460 V492 D493 S496 | G460-G498 VanDerWaalsContact CA-O 3.29Å; G460-G498 WeakPolarHBondContact CA-O 3.32Å; G460-G498 PolarHBondContact N-O 2.85Å; V492-G498 WeakPolarHBondContact CG1-O 3.29Å; D493-G498 VanDerWaalsContact O-CA 3.22Å; D493-G498 WeakPolarHBondContact O-CA 3.47Å; S496-G498 VanDerWaalsContact C-N 3.28Å; S496-G498 PolarHBondContact O-N 3.43Å | ||
| 499 | H | 92.1 | Very high | 89.5 | Confident | 83 Ų | 83 | 59.3 Ų | 59.3 | 38% | 0.384 | 30% | 0.301 | S | S | . | . | trans | -67.8 | 152.2 | 179.6 | 68.7 | -82.2 | 0 | 0 | 0 | 113.1 | V492 D493 D497 I501 | V492-H499 WeakPolarHBondContact CA-O 3.44Å; D493-H499 PolarHBondContact N-O 2.65Å; D493-H499 IonicContact OD2-CE1 3.11Å; D497-H499 WeakPolarHBondContact OD1-CB 3.3Å; D497-H499 IonicContact OD1-CE1 3.23Å; D497-H499 IonicContact OD1-CG 3.9Å; D497-H499 PolarHBondContact OD1-N 2.74Å; D497-H499 VanDerWaalsContact OD1-N 3.14Å; D497-H499 IonicContact OD1-ND1 2.77Å; D497-H499 PolarHBondContact OD1-ND1 3.1Å; H499-I501 PolarHBondContact O-N 2.87Å | ||
| 500 | L | 93.1 | Very high | 89.2 | Confident | 71 Ų | 71 | 61.8 Ų | 61.8 | 37% | 0.372 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 122.5 | 175.3 | -176.1 | 71.8 | 0 | 0 | 0 | 110.2 | R490 V492 F503 | R490-L500 HydrophobicContact CB-CD1 3.78Å; R490-L500 HydrophobicContact CG-CD1 3.91Å; V492-L500 HydrophobicContact CG2-CD1 4.26Å; L500-F503 HydrophobicContact CD2-CB 4.48Å |
| 501 | I | 92.5 | Very high | 89 | Confident | 47 Ų | 47 | 61.1 Ų | 61.1 | 24% | 0.241 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | -52.4 | 179.7 | -57.8 | 175.8 | 0 | 0 | 0 | 110.4 | Q480 L491 D493 H499 D540 | Q480-I501 HydrophobicContact CB-CD1 4.5Å; Q480-I501 HydrophobicContact CG-CD1 3.72Å; L491-I501 HydrophobicContact CD2-CB 4.38Å; L491-I501 HydrophobicContact CD2-CG2 4.21Å; L491-I501 HydrophobicContact CG-CB 4.36Å; L491-I501 HydrophobicContact CG-CD1 4.45Å; L491-I501 WeakPolarHBondContact O-CB 3.34Å; L491-I501 PolarHBondContact O-N 3Å; D493-I501 HydrophobicContact CB-CD1 3.87Å; D493-I501 HydrophobicContact CB-CG1 4.12Å; H499-I501 PolarHBondContact O-N 2.87Å; I501-D540 HydrophobicContact CG2-CB 3.78Å; I501-D540 WeakPolarHBondContact CG2-O 3.46Å |
| 502 | S | 93.4 | Very high | 89 | Confident | 16 Ų | 16 | 61.2 Ų | 61.2 | 11% | 0.112 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 150.2 | -175.7 | -172.9 | 0 | 0 | 0 | 0 | 109.7 | L491 L542 | L491-S502 PolarHBondContact N-O 3.25Å; L491-S502 PolarHBondContact O-N 2.77Å; S502-L542 PolarHBondContact OG-N 2.86Å |
| 503 | F | 93 | Very high | 88.8 | Confident | 123 Ų | 123 | 63.8 Ų | 63.8 | 54% | 0.539 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 152.3 | 168.8 | 78.2 | -79.8 | 0 | 0 | 0 | 110.1 | V489 L500 E505 | V489-F503 CarbonylContact O-C 3.57Å; V489-F503 VanDerWaalsContact O-CA 3.24Å; V489-F503 WeakPolarHBondContact O-CA 3.35Å; L500-F503 HydrophobicContact CD2-CB 4.48Å; F503-E505 HydrophobicContact CE2-CB 4.46Å |
| 504 | W | 93.9 | Very high | 88.7 | Confident | 28 Ų | 28 | 65.6 Ų | 65.6 | 11% | 0.106 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 136.3 | 173 | 177.6 | 97.2 | 0 | 0 | 0 | 108.1 | C488 V489 E506 I512 I526 I528 V533 L535 L542 | C488-W504 CarbonylContact C-O 3.55Å; C488-W504 VanDerWaalsContact CA-O 3.29Å; C488-W504 WeakPolarHBondContact CA-O 3.3Å; C488-W504 VanDerWaalsContact CB-O 3.26Å; C488-W504 WeakPolarHBondContact CB-O 3.17Å; V489-W504 HydrophobicContact CB-CB 4.29Å; V489-W504 HydrophobicContact CB-CE3 4.46Å; V489-W504 HydrophobicContact CG2-CE3 3.96Å; V489-W504 PolarHBondContact N-O 3.08Å; V489-W504 PolarHBondContact O-N 3.25Å; W504-E506 HydrophobicContact CH2-CB 3.58Å; W504-E506 HydrophobicContact CH2-CG 4.24Å; W504-E506 WeakPolarHBondContact CH2-OE2 3.43Å; W504-E506 HydrophobicContact CZ2-CB 4.35Å; W504-E506 HydrophobicContact CZ3-CB 3.96Å; W504-I512 HydrophobicContact CZ3-CD1 4.09Å; W504-I526 HydrophobicContact CE3-CD1 3.9Å; W504-I526 HydrophobicContact CH2-CD1 3.37Å; W504-I526 HydrophobicContact CZ2-CD1 4.22Å; W504-I526 HydrophobicContact CZ3-CD1 3.18Å; W504-I528 HydrophobicContact CH2-CD1 4.14Å; W504-V533 HydrophobicContact CH2-CG1 4.45Å; W504-V533 HydrophobicContact CZ2-CG1 4.06Å; W504-L535 HydrophobicContact CB-CD1 4.44Å; W504-L535 HydrophobicContact CD2-CD1 3.89Å; W504-L535 HydrophobicContact CD2-CD2 4.15Å; W504-L535 HydrophobicContact CE3-CD1 4.12Å; W504-L535 HydrophobicContact CG-CD1 4.03Å; W504-L535 HydrophobicContact CG-CD2 4.23Å; W504-L535 HydrophobicContact CZ2-CD2 4.32Å; W504-L542 HydrophobicContact CB-CB 4.09Å; W504-L542 HydrophobicContact CB-CD1 4.05Å |
| 505 | E | 90.7 | Very high | 88.9 | Confident | 125 Ų | 125 | 66.3 Ų | 66.3 | 58% | 0.584 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136 | 140.3 | 180 | -174.8 | 169.3 | -158.4 | 0 | 0 | 107.4 | F503 | F503-E505 HydrophobicContact CE2-CB 4.46Å |
| 506 | E | 83.8 | Confident | 89.2 | Confident | 34 Ų | 34 | 63.9 Ų | 63.9 | 16% | 0.159 | 33% | 0.334 | C | S | . | . | trans | -80.3 | 147.9 | 178.7 | -176.9 | 65.8 | -120.5 | 0 | 0 | 109.9 | W504 S508 I528 K531 | W504-E506 HydrophobicContact CH2-CB 3.58Å; W504-E506 HydrophobicContact CH2-CG 4.24Å; W504-E506 WeakPolarHBondContact CH2-OE2 3.43Å; W504-E506 HydrophobicContact CZ2-CB 4.35Å; W504-E506 HydrophobicContact CZ3-CB 3.96Å; E506-S508 WeakPolarHBondContact CG-OG 3.26Å; E506-S508 PolarHBondContact O-N 3.27Å; E506-I528 HydrophobicContact CB-CD1 3.78Å; E506-I528 HydrophobicContact CG-CD1 3.53Å; E506-I528 VanDerWaalsContact OE2-CD1 3.29Å; E506-I528 WeakPolarHBondContact OE2-CD1 3.39Å; E506-K531 IonicContact OE1-NZ 2.9Å; E506-K531 PolarHBondContact OE1-NZ 3.33Å; E506-K531 IonicContact OE2-NZ 3.7Å; E506-K531 PolarHBondContact OE2-NZ 3.04Å | ||
| 507 | E | 82 | Confident | 89.4 | Confident | 196 Ų | 196 | 62.2 Ų | 62.2 | 92% | 0.916 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -70.7 | -17.5 | 177.8 | -63.7 | -172.9 | 167.1 | 0 | 0 | 113.1 | ||
| 508 | S | 80.3 | Confident | 89.7 | Confident | 48 Ų | 48 | 57.6 Ų | 57.6 | 34% | 0.336 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -89 | 141.4 | 178.7 | 71.4 | 0 | 0 | 0 | 0 | 112.1 | E506 D510 | E506-S508 WeakPolarHBondContact CG-OG 3.26Å; E506-S508 PolarHBondContact O-N 3.27Å; S508-D510 PolarHBondContact O-N 3.19Å |
| 509 | D | 83.1 | Confident | 89.3 | Confident | 172 Ų | 172 | 60.8 Ų | 60.8 | 92% | 0.92 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -66.2 | -2.5 | 171.4 | -74.1 | -24.9 | 0 | 0 | 0 | 114.1 | ||
| 510 | D | 89 | Confident | 88.7 | Confident | 51 Ų | 51 | 60.6 Ų | 60.6 | 27% | 0.273 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -77 | 126.4 | 178.2 | -78.2 | -26.4 | 0 | 0 | 0 | 110.3 | S508 I528 R529 | S508-D510 PolarHBondContact O-N 3.19Å; D510-I528 HydrophobicContact CB-CG2 3.78Å; D510-R529 VanDerWaalsContact CG-NH1 3.27Å; D510-R529 IonicContact OD1-CZ 3.43Å; D510-R529 IonicContact OD1-NE 2.77Å; D510-R529 IonicContact OD1-NH1 2.74Å; D510-R529 PolarHBondContact OD1-NH1 3.08Å; D510-R529 IonicContact OD1-NH2 3.24Å; D510-R529 PolarHBondContact OD1-NH2 3.12Å; D510-R529 IonicContact OD2-CZ 2.77Å; D510-R529 VanDerWaalsContact OD2-CZ 3.23Å; D510-R529 IonicContact OD2-NE 2.8Å; D510-R529 IonicContact OD2-NH1 2.76Å; D510-R529 PolarHBondContact OD2-NH1 3.41Å; D510-R529 IonicContact OD2-NH2 3.63Å |
| 511 | P | 91.4 | Very high | 88.1 | Confident | 60 Ų | 60 | 58.9 Ų | 58.9 | 39% | 0.39 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 152.2 | -175.8 | 29.2 | -35.3 | 0 | 0 | 0 | 112 | P486 N513 | P486-P511 HydrophobicContact CB-CB 4.11Å; P486-P511 CarbonylContact O-C 3.6Å; P486-P511 WeakPolarHBondContact O-CA 3.49Å; P511-N513 PolarHBondContact O-N 3.16Å |
| 512 | I | 93.5 | Very high | 87.8 | Confident | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 118.9 | 166.5 | -57 | 173.5 | 0 | 0 | 0 | 108 | H468 V484 P486 V489 W504 I526 I528 | H468-I512 PolarHBondContact CD2-O 3.13Å; H468-I512 PolarHBondContact NE2-O 3.36Å; V484-I512 HydrophobicContact CG1-CD1 4.07Å; V484-I512 HydrophobicContact CG1-CG2 3.96Å; P486-I512 PolarHBondContact O-N 3.44Å; V489-I512 HydrophobicContact CG2-CD1 4.12Å; W504-I512 HydrophobicContact CZ3-CD1 4.09Å; I512-I526 HydrophobicContact CD1-CD1 4.13Å; I512-I526 HydrophobicContact CG2-CB 4.09Å; I512-I526 HydrophobicContact CG2-CG2 4.46Å; I512-I528 HydrophobicContact CG1-CD1 4.3Å; I512-I528 HydrophobicContact CG1-CG1 4.2Å |
| 513 | N | 90 | Very high | 87.8 | Confident | 54 Ų | 54 | 56.5 Ų | 56.5 | 29% | 0.289 | 31% | 0.309 | S | S | . | . | trans | -84.3 | -36.1 | -178.4 | -71.3 | -31.9 | 0 | 0 | 0 | 111.8 | H468 P511 A527 R529 | H468-N513 PolarHBondContact CE1-O 2.83Å; H468-N513 PolarHBondContact ND1-O 2.89Å; P511-N513 PolarHBondContact O-N 3.16Å; N513-A527 PolarHBondContact N-O 2.87Å; N513-R529 WeakPolarHBondContact ND2-CA 3.2Å; N513-R529 PolarHBondContact ND2-N 3.44Å; N513-R529 VanDerWaalsContact ND2-N 3.17Å | ||
| 514 | M | 91.4 | Very high | 87.9 | Confident | 45 Ų | 45 | 50.7 Ų | 50.7 | 22% | 0.222 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 155.8 | -172 | -60.8 | -176.8 | -8.6 | 0 | 0 | 111.1 | I526 A527 I554 L557 | M514-I526 WeakPolarHBondContact O-CA 3.04Å; M514-A527 HydrophobicContact CB-CB 4.46Å; M514-A527 PolarHBondContact O-N 2.83Å; M514-I554 HydrophobicContact CE-CG2 3.89Å; M514-L557 HydrophobicContact CB-CD2 4.22Å; M514-L557 HydrophobicContact CE-CB 4.35Å; M514-L557 HydrophobicContact CE-CD2 3.7Å; M514-L557 HydrophobicContact CE-CG 3.81Å |
| 515 | A | 93.8 | Very high | 87.9 | Confident | 17 Ų | 17 | 49.3 Ų | 49.3 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 153.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C469 V484 V525 I526 | C469-A515 HydrophobicContact CB-CB 3.75Å; V484-A515 HydrophobicContact CB-CB 3.9Å; V484-A515 HydrophobicContact CG1-CB 3.68Å; V484-A515 HydrophobicContact CG2-CB 3.84Å; A515-V525 CarbonylContact C-O 3.5Å; A515-V525 VanDerWaalsContact CA-O 3.29Å; A515-V525 WeakPolarHBondContact CA-O 3.39Å; A515-I526 HydrophobicContact CB-CB 4.49Å; A515-I526 HydrophobicContact CB-CG2 3.77Å |
| 516 | A | 91.6 | Very high | 88.1 | Confident | 12 Ų | 12 | 43.4 Ų | 43.4 | 10% | 0.099 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 144.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109 | I524 V525 L557 I559 | A516-I524 WeakPolarHBondContact O-CA 3.5Å; A516-V525 PolarHBondContact N-O 2.9Å; A516-V525 PolarHBondContact O-N 3.47Å; A516-L557 HydrophobicContact CB-CD1 3.24Å; A516-I559 HydrophobicContact CB-CG1 3.92Å; A516-I559 WeakPolarHBondContact O-CD1 3.36Å |
| 517 | C | 90.6 | Very high | 88.7 | Confident | 18 Ų | 18 | 41.9 Ų | 41.9 | 12% | 0.122 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 138.4 | -179.2 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | A471 Q523 I524 | A471-C517 HydrophobicContact CB-CB 3.9Å; C517-Q523 CarbonylContact C-O 3.55Å; C517-Q523 WeakPolarHBondContact CA-O 3.11Å; C517-I524 HydrophobicContact CB-CG1 4.38Å |
| 518 | N | 86.7 | Confident | 89.2 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 110.7 | 169.8 | 179.2 | -3.4 | 0 | 0 | 0 | 109.5 | S520 S521 G522 Q523 I559 A562 S567 | N518-S520 VanDerWaalsContact C-N 3.27Å; N518-S520 PolarHBondContact O-N 2.82Å; N518-S520 PolarHBondContact OD1-N 2.93Å; N518-S520 VanDerWaalsContact OD1-N 3.08Å; N518-S520 PolarHBondContact OD1-OG 3.19Å; N518-S521 PolarHBondContact ND2-OG 3.22Å; N518-S521 PolarHBondContact O-N 3.16Å; N518-G522 PolarHBondContact O-N 2.84Å; N518-Q523 HydrophobicContact CB-CB 4.08Å; N518-Q523 PolarHBondContact N-O 2.61Å; N518-Q523 PolarHBondContact ND2-OE1 3.04Å; N518-I559 HydrophobicContact CB-CD1 4.13Å; N518-I559 HydrophobicContact CB-CG1 4.3Å; N518-A562 WeakPolarHBondContact ND2-CB 3.46Å; N518-S567 PolarHBondContact ND2-N 2.92Å |
| 519 | S | 80.6 | Confident | 89.6 | Confident | 66 Ų | 66 | 35.8 Ų | 35.8 | 46% | 0.462 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -35.1 | -177.7 | -41.3 | 0 | 0 | 0 | 0 | 113.6 | N472 | N472-S519 WeakPolarHBondContact O-CA 3.44Å; N472-S519 WeakPolarHBondContact O-CB 3.35Å |
| 520 | S | 79 | Confident | 90 | Very high | 79 Ų | 79 | 30.7 Ų | 30.7 | 55% | 0.552 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -24.2 | -170.8 | 54.7 | 0 | 0 | 0 | 0 | 114.4 | N518 G565 | N518-S520 VanDerWaalsContact C-N 3.27Å; N518-S520 PolarHBondContact O-N 2.82Å; N518-S520 PolarHBondContact OD1-N 2.93Å; N518-S520 VanDerWaalsContact OD1-N 3.08Å; N518-S520 PolarHBondContact OD1-OG 3.19Å; S520-G565 PolarHBondContact OG-O 3.46Å |
| 521 | S | 80.4 | Confident | 90.2 | Very high | 36 Ų | 36 | 30.4 Ų | 30.4 | 25% | 0.252 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | -4.6 | -177.8 | 50.3 | 0 | 0 | 0 | 0 | 114.3 | N518 Q523 G565 | N518-S521 PolarHBondContact ND2-OG 3.22Å; N518-S521 PolarHBondContact O-N 3.16Å; S521-Q523 PolarHBondContact O-N 2.66Å; S521-Q523 VanDerWaalsContact OG-CG 3.28Å; S521-Q523 WeakPolarHBondContact OG-CG 3.5Å; S521-Q523 PolarHBondContact OG-OE1 3.47Å; S521-Q523 VanDerWaalsContact OG-OE1 3.09Å; S521-G565 WeakPolarHBondContact CB-O 3.49Å; S521-G565 PolarHBondContact OG-O 3.23Å |
| 522 | G | 86.4 | Confident | 90.4 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 22.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | N518 V537 | N518-G522 PolarHBondContact O-N 2.84Å; G522-V537 PolarHBondContact O-N 3.43Å |
| 523 | Q | 92.7 | Very high | 90.4 | Very high | 11 Ų | 11 | 27.4 Ų | 27.4 | 5% | 0.051 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 133.5 | 172.8 | -67.3 | 174.8 | -44.4 | 0 | 0 | 109.6 | C517 N518 S521 Y534 V536 I559 S567 | C517-Q523 CarbonylContact C-O 3.55Å; C517-Q523 WeakPolarHBondContact CA-O 3.11Å; N518-Q523 HydrophobicContact CB-CB 4.08Å; N518-Q523 PolarHBondContact N-O 2.61Å; N518-Q523 PolarHBondContact ND2-OE1 3.04Å; S521-Q523 PolarHBondContact O-N 2.66Å; S521-Q523 VanDerWaalsContact OG-CG 3.28Å; S521-Q523 WeakPolarHBondContact OG-CG 3.5Å; S521-Q523 PolarHBondContact OG-OE1 3.47Å; S521-Q523 VanDerWaalsContact OG-OE1 3.09Å; Q523-Y534 HydrophobicContact CB-CE2 3.95Å; Q523-Y534 HydrophobicContact CG-CE2 4.07Å; Q523-Y534 WeakPolarHBondContact CG-OH 3.21Å; Q523-Y534 PolarHBondContact NE2-OH 3.38Å; Q523-V536 HydrophobicContact CG-CG2 4.42Å; Q523-I559 HydrophobicContact CB-CD1 4.19Å; Q523-I559 VanDerWaalsContact O-CD1 3.24Å; Q523-I559 WeakPolarHBondContact O-CD1 3.47Å; Q523-S567 PolarHBondContact NE2-O 2.79Å; Q523-S567 PolarHBondContact OE1-O 2.85Å |
| 524 | I | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 129.8 | -179.8 | -53.1 | 156.6 | 0 | 0 | 0 | 107.7 | V482 V484 V489 A516 C517 I526 L535 V537 L542 | V482-I524 HydrophobicContact CB-CD1 4.47Å; V482-I524 HydrophobicContact CG1-CD1 3.64Å; V482-I524 HydrophobicContact CG1-CG1 4.2Å; V482-I524 HydrophobicContact CG2-CD1 4Å; V484-I524 HydrophobicContact CG2-CG2 4.36Å; V489-I524 HydrophobicContact CG1-CD1 4.16Å; A516-I524 WeakPolarHBondContact O-CA 3.5Å; C517-I524 HydrophobicContact CB-CG1 4.38Å; I524-I526 HydrophobicContact CG2-CG2 3.91Å; I524-L535 HydrophobicContact CB-CB 4.21Å; I524-L535 PolarHBondContact N-O 2.88Å; I524-L535 PolarHBondContact O-N 3.5Å; I524-L535 VanDerWaalsContact O-O 3.06Å; I524-V537 HydrophobicContact CD1-CG2 4.01Å; I524-L542 HydrophobicContact CD1-CD2 3.54Å |
| 525 | V | 95 | Very high | 90.8 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 126.7 | 172.7 | 173.6 | 0 | 0 | 0 | 0 | 108.3 | A515 A516 L532 V533 Y534 L557 I559 L585 | A515-V525 CarbonylContact C-O 3.5Å; A515-V525 VanDerWaalsContact CA-O 3.29Å; A515-V525 WeakPolarHBondContact CA-O 3.39Å; A516-V525 PolarHBondContact N-O 2.9Å; A516-V525 PolarHBondContact O-N 3.47Å; V525-L532 HydrophobicContact CG1-CD1 3.37Å; V525-L532 HydrophobicContact CG1-CD2 4.12Å; V525-L532 HydrophobicContact CG1-CG 3.71Å; V525-V533 WeakPolarHBondContact CA-O 3.36Å; V525-Y534 HydrophobicContact CG2-CD2 3.7Å; V525-Y534 HydrophobicContact CG2-CE2 4.43Å; V525-L557 HydrophobicContact CG1-CD1 4.37Å; V525-I559 HydrophobicContact CB-CD1 4.35Å; V525-I559 HydrophobicContact CB-CG2 4.14Å; V525-I559 HydrophobicContact CG2-CD1 4.12Å; V525-I559 HydrophobicContact CG2-CG2 3.72Å; V525-L585 HydrophobicContact CG2-CD1 4.39Å; V525-L585 HydrophobicContact CG2-CD2 4.38Å |
| 526 | I | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 147.4 | -179.6 | 64.4 | 179.2 | 0 | 0 | 0 | 110.4 | V484 V489 W504 I512 M514 A515 I524 I528 L532 V533 L535 | V484-I526 HydrophobicContact CG1-CG2 4.31Å; V489-I526 HydrophobicContact CG2-CD1 4.37Å; V489-I526 HydrophobicContact CG2-CG2 4.17Å; W504-I526 HydrophobicContact CE3-CD1 3.9Å; W504-I526 HydrophobicContact CH2-CD1 3.37Å; W504-I526 HydrophobicContact CZ2-CD1 4.22Å; W504-I526 HydrophobicContact CZ3-CD1 3.18Å; I512-I526 HydrophobicContact CD1-CD1 4.13Å; I512-I526 HydrophobicContact CG2-CB 4.09Å; I512-I526 HydrophobicContact CG2-CG2 4.46Å; M514-I526 WeakPolarHBondContact O-CA 3.04Å; A515-I526 HydrophobicContact CB-CB 4.49Å; A515-I526 HydrophobicContact CB-CG2 3.77Å; I524-I526 HydrophobicContact CG2-CG2 3.91Å; I526-I528 HydrophobicContact CD1-CD1 4.49Å; I526-L532 WeakPolarHBondContact O-CA 3.42Å; I526-V533 HydrophobicContact CD1-CB 4.04Å; I526-V533 HydrophobicContact CD1-CG1 4.35Å; I526-V533 HydrophobicContact CG1-CB 3.64Å; I526-V533 HydrophobicContact CG1-CG1 4.36Å; I526-V533 HydrophobicContact CG1-CG2 4.44Å; I526-V533 PolarHBondContact N-O 2.86Å; I526-V533 PolarHBondContact O-N 2.94Å; I526-L535 HydrophobicContact CD1-CD1 4.11Å |
| 527 | A | 94.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 2% | 0.017 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | N513 M514 K531 L532 I554 L557 | N513-A527 PolarHBondContact N-O 2.87Å; M514-A527 HydrophobicContact CB-CB 4.46Å; M514-A527 PolarHBondContact O-N 2.83Å; A527-K531 WeakPolarHBondContact CA-O 3.19Å; A527-L532 HydrophobicContact CB-CD1 4.48Å; A527-I554 HydrophobicContact CB-CB 4.01Å; A527-I554 HydrophobicContact CB-CD1 3.64Å; A527-I554 HydrophobicContact CB-CG1 4.45Å; A527-I554 HydrophobicContact CB-CG2 4.03Å; A527-L557 HydrophobicContact CB-CD2 3.66Å |
| 528 | I | 93.7 | Very high | 90.6 | Very high | 6 Ų | 6 | 24.9 Ų | 24.9 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 96.2 | 177.5 | -52.5 | 179.3 | 0 | 0 | 0 | 106.4 | W504 E506 D510 I512 I526 N530 K531 | W504-I528 HydrophobicContact CH2-CD1 4.14Å; E506-I528 HydrophobicContact CB-CD1 3.78Å; E506-I528 HydrophobicContact CG-CD1 3.53Å; E506-I528 VanDerWaalsContact OE2-CD1 3.29Å; E506-I528 WeakPolarHBondContact OE2-CD1 3.39Å; D510-I528 HydrophobicContact CB-CG2 3.78Å; I512-I528 HydrophobicContact CG1-CD1 4.3Å; I512-I528 HydrophobicContact CG1-CG1 4.2Å; I526-I528 HydrophobicContact CD1-CD1 4.49Å; I528-N530 PolarHBondContact O-N 3.29Å; I528-K531 PolarHBondContact N-O 3.43Å; I528-K531 WeakPolarHBondContact O-CB 3.48Å; I528-K531 PolarHBondContact O-N 3.23Å |
| 529 | R | 89.3 | Confident | 90.5 | Very high | 111 Ų | 111 | 30.2 Ų | 30.2 | 42% | 0.419 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | -100.6 | -166.9 | -64.7 | -175.5 | 171.7 | 155.5 | 3.4 | 113 | D510 N513 E553 I554 | D510-R529 VanDerWaalsContact CG-NH1 3.27Å; D510-R529 IonicContact OD1-CZ 3.43Å; D510-R529 IonicContact OD1-NE 2.77Å; D510-R529 IonicContact OD1-NH1 2.74Å; D510-R529 PolarHBondContact OD1-NH1 3.08Å; D510-R529 IonicContact OD1-NH2 3.24Å; D510-R529 PolarHBondContact OD1-NH2 3.12Å; D510-R529 IonicContact OD2-CZ 2.77Å; D510-R529 VanDerWaalsContact OD2-CZ 3.23Å; D510-R529 IonicContact OD2-NE 2.8Å; D510-R529 IonicContact OD2-NH1 2.76Å; D510-R529 PolarHBondContact OD2-NH1 3.41Å; D510-R529 IonicContact OD2-NH2 3.63Å; N513-R529 WeakPolarHBondContact ND2-CA 3.2Å; N513-R529 PolarHBondContact ND2-N 3.44Å; N513-R529 VanDerWaalsContact ND2-N 3.17Å; R529-E553 HydrophobicContact CB-CG 4.35Å; R529-E553 WeakPolarHBondContact O-CA 3.16Å; R529-I554 PolarHBondContact O-N 2.74Å |
| 530 | N | 91.2 | Very high | 90.7 | Very high | 65 Ų | 65 | 30.1 Ų | 30.1 | 35% | 0.348 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | -1.8 | -179.9 | 69.2 | -36.2 | 0 | 0 | 0 | 113.4 | I528 C549 F550 S552 | I528-N530 PolarHBondContact O-N 3.29Å; N530-C549 WeakPolarHBondContact O-CA 3.37Å; N530-F550 WeakPolarHBondContact CB-O 3.27Å; N530-F550 PolarHBondContact ND2-O 2.96Å; N530-F550 PolarHBondContact O-N 2.93Å; N530-S552 WeakPolarHBondContact CB-O 3.08Å |
| 531 | K | 93.5 | Very high | 91.3 | Very high | 44 Ų | 44 | 31.2 Ų | 31.2 | 19% | 0.191 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 130 | 173.4 | -172.1 | -171 | -178 | -159.2 | 0 | 109.3 | E506 A527 I528 V533 T548 | E506-K531 IonicContact OE1-NZ 2.9Å; E506-K531 PolarHBondContact OE1-NZ 3.33Å; E506-K531 IonicContact OE2-NZ 3.7Å; E506-K531 PolarHBondContact OE2-NZ 3.04Å; A527-K531 WeakPolarHBondContact CA-O 3.19Å; I528-K531 PolarHBondContact N-O 3.43Å; I528-K531 WeakPolarHBondContact O-CB 3.48Å; I528-K531 PolarHBondContact O-N 3.23Å; K531-V533 HydrophobicContact CD-CG2 3.91Å; K531-V533 HydrophobicContact CG-CG2 4.02Å; K531-T548 CarbonylContact C-O 3.6Å; K531-T548 WeakPolarHBondContact CA-O 3.14Å |
| 532 | L | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 124.8 | 171.3 | -168.8 | 79 | 0 | 0 | 0 | 108.2 | V525 I526 A527 S547 T548 F550 I554 L557 V572 I583 M588 | V525-L532 HydrophobicContact CG1-CD1 3.37Å; V525-L532 HydrophobicContact CG1-CD2 4.12Å; V525-L532 HydrophobicContact CG1-CG 3.71Å; I526-L532 WeakPolarHBondContact O-CA 3.42Å; A527-L532 HydrophobicContact CB-CD1 4.48Å; L532-S547 CarbonylContact O-C 3.57Å; L532-S547 WeakPolarHBondContact O-CA 3.31Å; L532-S547 WeakPolarHBondContact O-CB 3.35Å; L532-T548 HydrophobicContact CB-CG2 3.97Å; L532-T548 HydrophobicContact CD2-CG2 4.28Å; L532-T548 PolarHBondContact N-O 2.74Å; L532-T548 PolarHBondContact O-N 2.91Å; L532-F550 HydrophobicContact CB-CE2 3.87Å; L532-F550 HydrophobicContact CD2-CE2 4.2Å; L532-F550 HydrophobicContact CD2-CZ 4.49Å; L532-I554 HydrophobicContact CB-CD1 4Å; L532-I554 HydrophobicContact CD1-CD1 3.8Å; L532-L557 HydrophobicContact CD1-CD2 4.21Å; L532-V572 HydrophobicContact CD1-CG2 4.2Å; L532-V572 HydrophobicContact CD2-CG2 4Å; L532-I583 HydrophobicContact CD2-CD1 3.66Å; L532-M588 HydrophobicContact CB-CE 4.15Å; L532-M588 HydrophobicContact CD2-CE 3.72Å; L532-M588 HydrophobicContact CD2-SD 4.46Å; L532-M588 HydrophobicContact CG-CE 3.86Å; L532-M588 WeakPolarHBondContact O-CE 3.14Å |
| 533 | V | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 135.5 | 179.8 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | W504 V525 I526 K531 L535 E544 | W504-V533 HydrophobicContact CH2-CG1 4.45Å; W504-V533 HydrophobicContact CZ2-CG1 4.06Å; V525-V533 WeakPolarHBondContact CA-O 3.36Å; I526-V533 HydrophobicContact CD1-CB 4.04Å; I526-V533 HydrophobicContact CD1-CG1 4.35Å; I526-V533 HydrophobicContact CG1-CB 3.64Å; I526-V533 HydrophobicContact CG1-CG1 4.36Å; I526-V533 HydrophobicContact CG1-CG2 4.44Å; I526-V533 PolarHBondContact N-O 2.86Å; I526-V533 PolarHBondContact O-N 2.94Å; K531-V533 HydrophobicContact CD-CG2 3.91Å; K531-V533 HydrophobicContact CG-CG2 4.02Å; V533-L535 HydrophobicContact CG1-CD2 3.86Å; V533-L535 HydrophobicContact CG1-CG 4.4Å; V533-E544 HydrophobicContact CG1-CG 3.76Å |
| 534 | Y | 95.2 | Very high | 92.1 | Very high | 10 Ų | 10 | 39.5 Ų | 39.5 | 4% | 0.039 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 114.1 | -179.8 | 174.3 | -127.2 | 0 | 0 | 0 | 110.1 | Q523 V525 V536 T545 G546 L585 P586 M588 | Q523-Y534 HydrophobicContact CB-CE2 3.95Å; Q523-Y534 HydrophobicContact CG-CE2 4.07Å; Q523-Y534 WeakPolarHBondContact CG-OH 3.21Å; Q523-Y534 PolarHBondContact NE2-OH 3.38Å; V525-Y534 HydrophobicContact CG2-CD2 3.7Å; V525-Y534 HydrophobicContact CG2-CE2 4.43Å; Y534-V536 HydrophobicContact CE1-CG2 3.77Å; Y534-V536 HydrophobicContact CE2-CG2 3.88Å; Y534-V536 VanDerWaalsContact OH-CG2 3.32Å; Y534-V536 WeakPolarHBondContact OH-CG2 3.35Å; Y534-T545 HydrophobicContact CD1-CG2 3.99Å; Y534-T545 HydrophobicContact CE1-CG2 3.86Å; Y534-T545 PolarHBondContact O-N 3.12Å; Y534-G546 PolarHBondContact N-O 2.76Å; Y534-G546 PolarHBondContact O-N 2.98Å; Y534-L585 HydrophobicContact CD1-CD2 4.17Å; Y534-L585 HydrophobicContact CD2-CD1 4.35Å; Y534-L585 HydrophobicContact CD2-CD2 3.86Å; Y534-L585 HydrophobicContact CE1-CD2 4.43Å; Y534-L585 HydrophobicContact CE2-CD1 3.93Å; Y534-L585 HydrophobicContact CE2-CD2 4.09Å; Y534-L585 HydrophobicContact CE2-CG 4.46Å; Y534-L585 HydrophobicContact CG-CD2 3.88Å; Y534-P586 HydrophobicContact CD1-CB 4.23Å; Y534-P586 HydrophobicContact CE1-CB 3.71Å; Y534-M588 HydrophobicContact CG-SD 4.42Å |
| 535 | L | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 149.2 | 177.1 | -47.3 | 174.4 | 0 | 0 | 0 | 109.8 | V489 W504 I524 I526 V533 R543 E544 | V489-L535 HydrophobicContact CB-CD1 4.28Å; V489-L535 HydrophobicContact CG1-CD1 4.42Å; V489-L535 HydrophobicContact CG2-CD1 3.87Å; W504-L535 HydrophobicContact CB-CD1 4.44Å; W504-L535 HydrophobicContact CD2-CD1 3.89Å; W504-L535 HydrophobicContact CD2-CD2 4.15Å; W504-L535 HydrophobicContact CE3-CD1 4.12Å; W504-L535 HydrophobicContact CG-CD1 4.03Å; W504-L535 HydrophobicContact CG-CD2 4.23Å; W504-L535 HydrophobicContact CZ2-CD2 4.32Å; I524-L535 HydrophobicContact CB-CB 4.21Å; I524-L535 PolarHBondContact N-O 2.88Å; I524-L535 PolarHBondContact O-N 3.5Å; I524-L535 VanDerWaalsContact O-O 3.06Å; I526-L535 HydrophobicContact CD1-CD1 4.11Å; V533-L535 HydrophobicContact CG1-CD2 3.86Å; V533-L535 HydrophobicContact CG1-CG 4.4Å; L535-R543 CarbonylContact C-O 3.55Å; L535-R543 VanDerWaalsContact CA-O 3.29Å; L535-R543 WeakPolarHBondContact CA-O 3.26Å; L535-E544 HydrophobicContact CD2-CB 3.68Å; L535-E544 HydrophobicContact CD2-CG 4.08Å |
| 536 | V | 93.3 | Very high | 91.7 | Very high | 29 Ų | 29 | 43.9 Ų | 43.9 | 18% | 0.176 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 134.4 | 172.1 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | Q523 Y534 S538 R543 | Q523-V536 HydrophobicContact CG-CG2 4.42Å; Y534-V536 HydrophobicContact CE1-CG2 3.77Å; Y534-V536 HydrophobicContact CE2-CG2 3.88Å; Y534-V536 VanDerWaalsContact OH-CG2 3.32Å; Y534-V536 WeakPolarHBondContact OH-CG2 3.35Å; V536-S538 PolarHBondContact O-N 2.94Å; V536-R543 PolarHBondContact N-O 2.85Å; V536-R543 PolarHBondContact O-N 2.62Å |
| 537 | V | 90.9 | Very high | 91.5 | Very high | 24 Ų | 24 | 46.7 Ų | 46.7 | 15% | 0.145 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 111.8 | 168.2 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | V473 V482 L491 G522 I524 H541 L542 | V473-V537 HydrophobicContact CG2-CG1 4.5Å; V473-V537 HydrophobicContact CG2-CG2 4.35Å; V482-V537 HydrophobicContact CG2-CG2 4.17Å; L491-V537 HydrophobicContact CD1-CG1 4.15Å; L491-V537 HydrophobicContact CD1-CG2 4.03Å; L491-V537 HydrophobicContact CD2-CG1 3.81Å; G522-V537 PolarHBondContact O-N 3.43Å; I524-V537 HydrophobicContact CD1-CG2 4.01Å; V537-H541 WeakPolarHBondContact CA-O 3.1Å; V537-L542 HydrophobicContact CG2-CD2 3.8Å |
| 538 | S | 86.9 | Confident | 91.5 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 21% | 0.21 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 128.4 | 177.6 | 66.2 | 0 | 0 | 0 | 0 | 109.7 | V536 D540 H541 R543 | V536-S538 PolarHBondContact O-N 2.94Å; S538-D540 VanDerWaalsContact C-N 3.31Å; S538-D540 PolarHBondContact O-N 2.81Å; S538-H541 PolarHBondContact N-O 2.8Å; S538-H541 PolarHBondContact O-N 2.8Å; S538-R543 WeakPolarHBondContact OG-CD 3.27Å; S538-R543 WeakPolarHBondContact OG-CG 3.36Å; S538-R543 VanDerWaalsContact OG-CZ 3.29Å; S538-R543 PolarHBondContact OG-NE 2.85Å; S538-R543 PolarHBondContact OG-NH1 3.45Å |
| 539 | D | 83.7 | Confident | 91.4 | Very high | 120 Ų | 120 | 52 Ų | 52 | 64% | 0.642 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 47.8 | -178.4 | -46.8 | -46.6 | 0 | 0 | 0 | 112.3 | H541 R543 | D539-H541 PolarHBondContact O-CD2 2.81Å; D539-H541 PolarHBondContact O-N 2.83Å; D539-H541 VanDerWaalsContact O-N 3.07Å; D539-R543 IonicContact OD2-CZ 2.99Å; D539-R543 IonicContact OD2-NH1 3.84Å; D539-R543 IonicContact OD2-NH2 2.64Å; D539-R543 PolarHBondContact OD2-NH2 2.83Å |
| 540 | D | 85.9 | Confident | 91.5 | Very high | 63 Ų | 63 | 47.8 Ų | 47.8 | 34% | 0.337 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 18.1 | -179 | -54.4 | -24.5 | 0 | 0 | 0 | 114.5 | N478 Q480 L491 I501 S538 | N478-D540 PolarHBondContact ND2-OD1 3.49Å; Q480-D540 PolarHBondContact NE2-OD1 2.78Å; L491-D540 WeakPolarHBondContact CD2-O 3.17Å; I501-D540 HydrophobicContact CG2-CB 3.78Å; I501-D540 WeakPolarHBondContact CG2-O 3.46Å; S538-D540 VanDerWaalsContact C-N 3.31Å; S538-D540 PolarHBondContact O-N 2.81Å |
| 541 | H | 90.5 | Very high | 91.3 | Very high | 102 Ų | 102 | 51.6 Ų | 51.6 | 47% | 0.472 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 142.1 | 177.6 | -69.4 | -65.7 | 0 | 0 | 0 | 112.2 | V537 S538 D539 R543 | V537-H541 WeakPolarHBondContact CA-O 3.1Å; S538-H541 PolarHBondContact N-O 2.8Å; S538-H541 PolarHBondContact O-N 2.8Å; D539-H541 PolarHBondContact O-CD2 2.81Å; D539-H541 PolarHBondContact O-N 2.83Å; D539-H541 VanDerWaalsContact O-N 3.07Å; H541-R543 PolarHBondContact O-N 2.78Å |
| 542 | L | 91.7 | Very high | 91.1 | Very high | 16 Ų | 16 | 50.2 Ų | 50.2 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 111.5 | 171 | -69.1 | 163.5 | 0 | 0 | 0 | 109.4 | V489 L491 S502 W504 I524 V537 | V489-L542 HydrophobicContact CB-CD1 4.2Å; V489-L542 HydrophobicContact CG1-CD1 3.82Å; V489-L542 HydrophobicContact CG1-CD2 3.99Å; V489-L542 WeakPolarHBondContact O-CD1 3.33Å; L491-L542 HydrophobicContact CB-CD1 4.13Å; L491-L542 HydrophobicContact CB-CG 4.22Å; S502-L542 PolarHBondContact OG-N 2.86Å; W504-L542 HydrophobicContact CB-CB 4.09Å; W504-L542 HydrophobicContact CB-CD1 4.05Å; I524-L542 HydrophobicContact CD1-CD2 3.54Å; V537-L542 HydrophobicContact CG2-CD2 3.8Å |
| 543 | R | 92 | Very high | 90.9 | Very high | 121 Ų | 121 | 53.9 Ų | 53.9 | 46% | 0.457 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 125.5 | 178.2 | -63.5 | -166.8 | -171.1 | 150.4 | 9.8 | 111.7 | L535 V536 S538 D539 H541 T545 | L535-R543 CarbonylContact C-O 3.55Å; L535-R543 VanDerWaalsContact CA-O 3.29Å; L535-R543 WeakPolarHBondContact CA-O 3.26Å; V536-R543 PolarHBondContact N-O 2.85Å; V536-R543 PolarHBondContact O-N 2.62Å; S538-R543 WeakPolarHBondContact OG-CD 3.27Å; S538-R543 WeakPolarHBondContact OG-CG 3.36Å; S538-R543 VanDerWaalsContact OG-CZ 3.29Å; S538-R543 PolarHBondContact OG-NE 2.85Å; S538-R543 PolarHBondContact OG-NH1 3.45Å; D539-R543 IonicContact OD2-CZ 2.99Å; D539-R543 IonicContact OD2-NH1 3.84Å; D539-R543 IonicContact OD2-NH2 2.64Å; D539-R543 PolarHBondContact OD2-NH2 2.83Å; H541-R543 PolarHBondContact O-N 2.78Å; R543-T545 PolarHBondContact O-N 2.81Å |
| 544 | E | 92 | Very high | 90.9 | Very high | 86 Ų | 86 | 54.1 Ų | 54.1 | 40% | 0.402 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 118.7 | 168.2 | -174.7 | 177.4 | 160.8 | 0 | 0 | 110.1 | V533 L535 S547 | V533-E544 HydrophobicContact CG1-CG 3.76Å; L535-E544 HydrophobicContact CD2-CB 3.68Å; L535-E544 HydrophobicContact CD2-CG 4.08Å; E544-S547 PolarHBondContact OE1-OG 2.74Å |
| 545 | T | 91.2 | Very high | 90.8 | Very high | 75 Ų | 75 | 54 Ų | 54 | 46% | 0.46 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -27.8 | -177.3 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | Y534 R543 P586 | Y534-T545 HydrophobicContact CD1-CG2 3.99Å; Y534-T545 HydrophobicContact CE1-CG2 3.86Å; Y534-T545 PolarHBondContact O-N 3.12Å; R543-T545 PolarHBondContact O-N 2.81Å; T545-P586 HydrophobicContact CG2-CB 3.83Å |
| 546 | G | 90 | Very high | 90.7 | Very high | 17 Ų | 17 | 54.2 Ų | 54.2 | 18% | 0.175 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.4 | 161.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y534 | Y534-G546 PolarHBondContact N-O 2.76Å; Y534-G546 PolarHBondContact O-N 2.98Å |
| 547 | S | 92.2 | Very high | 90.8 | Very high | 59 Ų | 59 | 53.9 Ų | 53.9 | 41% | 0.413 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 153.4 | 173.8 | 53 | 0 | 0 | 0 | 0 | 111.4 | L532 E544 | L532-S547 CarbonylContact O-C 3.57Å; L532-S547 WeakPolarHBondContact O-CA 3.31Å; L532-S547 WeakPolarHBondContact O-CB 3.35Å; E544-S547 PolarHBondContact OE1-OG 2.74Å |
| 548 | T | 93.6 | Very high | 90.8 | Very high | 35 Ų | 35 | 53.6 Ų | 53.6 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 154.3 | 176.4 | -168.8 | 0 | 0 | 0 | 0 | 110.3 | K531 L532 F550 M588 | K531-T548 CarbonylContact C-O 3.6Å; K531-T548 WeakPolarHBondContact CA-O 3.14Å; L532-T548 HydrophobicContact CB-CG2 3.97Å; L532-T548 HydrophobicContact CD2-CG2 4.28Å; L532-T548 PolarHBondContact N-O 2.74Å; L532-T548 PolarHBondContact O-N 2.91Å; T548-F550 HydrophobicContact CG2-CE1 4.26Å; T548-F550 HydrophobicContact CG2-CE2 3.84Å; T548-F550 HydrophobicContact CG2-CZ 3.52Å; T548-M588 HydrophobicContact CG2-CB 4.19Å; T548-M588 HydrophobicContact CG2-CE 4.17Å |
| 549 | C | 92.9 | Very high | 91 | Very high | 85 Ų | 85 | 52.2 Ų | 52.2 | 57% | 0.574 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 141 | 179.4 | -65.2 | 0 | 0 | 0 | 0 | 110.4 | N530 | N530-C549 WeakPolarHBondContact O-CA 3.37Å |
| 550 | F | 91.2 | Very high | 90.9 | Very high | 22 Ų | 22 | 48.8 Ų | 48.8 | 10% | 0.096 | 27% | 0.266 | C | S | . | . | trans | -111.3 | 165.3 | 178 | -59.4 | -67.2 | 0 | 0 | 0 | 112.4 | N530 L532 T548 S552 I554 L574 L581 I583 V590 | N530-F550 WeakPolarHBondContact CB-O 3.27Å; N530-F550 PolarHBondContact ND2-O 2.96Å; N530-F550 PolarHBondContact O-N 2.93Å; L532-F550 HydrophobicContact CB-CE2 3.87Å; L532-F550 HydrophobicContact CD2-CE2 4.2Å; L532-F550 HydrophobicContact CD2-CZ 4.49Å; T548-F550 HydrophobicContact CG2-CE1 4.26Å; T548-F550 HydrophobicContact CG2-CE2 3.84Å; T548-F550 HydrophobicContact CG2-CZ 3.52Å; F550-S552 PolarHBondContact O-N 2.78Å; F550-I554 HydrophobicContact CD2-CD1 4.08Å; F550-I554 HydrophobicContact CD2-CG1 4.11Å; F550-I554 HydrophobicContact CE2-CD1 4.3Å; F550-L574 HydrophobicContact CB-CD1 4.27Å; F550-L574 HydrophobicContact CB-CD2 3.86Å; F550-L574 HydrophobicContact CD2-CD2 4.1Å; F550-L574 HydrophobicContact CG-CD2 3.96Å; F550-L581 HydrophobicContact CD1-CD1 3.79Å; F550-L581 HydrophobicContact CE1-CD1 3.56Å; F550-L581 HydrophobicContact CG-CD1 4.49Å; F550-L581 HydrophobicContact CZ-CD1 4.08Å; F550-I583 HydrophobicContact CE1-CD1 4.43Å; F550-I583 HydrophobicContact CE2-CD1 4.23Å; F550-I583 HydrophobicContact CZ-CD1 3.54Å; F550-V590 HydrophobicContact CE1-CG2 4.09Å | ||
| 551 | D | 85.9 | Confident | 90.8 | Very high | 145 Ų | 145 | 47.3 Ų | 47.3 | 78% | 0.775 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -70.1 | -15.6 | 179 | -58.7 | -39.4 | 0 | 0 | 0 | 113.1 | ||
| 552 | S | 89.8 | Confident | 90.4 | Very high | 15 Ų | 15 | 43.4 Ų | 43.4 | 11% | 0.105 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -145 | 162.4 | -175.5 | -65.2 | 0 | 0 | 0 | 0 | 111 | N530 F550 V576 | N530-S552 WeakPolarHBondContact CB-O 3.08Å; F550-S552 PolarHBondContact O-N 2.78Å; S552-V576 WeakPolarHBondContact OG-CB 3.47Å |
| 553 | E | 91.5 | Very high | 89.5 | Confident | 77 Ų | 77 | 46.8 Ų | 46.8 | 36% | 0.36 | 27% | 0.265 | S | S | . | . | trans | -63.8 | 149.6 | 176.7 | -63.3 | -171.9 | 167.7 | 0 | 0 | 112.2 | R529 L574 W575 | R529-E553 HydrophobicContact CB-CG 4.35Å; R529-E553 WeakPolarHBondContact O-CA 3.16Å; E553-L574 WeakPolarHBondContact O-CA 3.35Å; E553-W575 HydrophobicContact CB-CG 4.26Å; E553-W575 VanDerWaalsContact O-CD1 3.29Å; E553-W575 PolarHBondContact O-N 3.28Å | ||
| 554 | I | 93.6 | Very high | 88.7 | Confident | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 133.5 | 179.8 | -65 | 156.8 | 0 | 0 | 0 | 109.7 | M514 A527 R529 L532 F550 L557 V572 S573 L574 W575 | M514-I554 HydrophobicContact CE-CG2 3.89Å; A527-I554 HydrophobicContact CB-CB 4.01Å; A527-I554 HydrophobicContact CB-CD1 3.64Å; A527-I554 HydrophobicContact CB-CG1 4.45Å; A527-I554 HydrophobicContact CB-CG2 4.03Å; R529-I554 PolarHBondContact O-N 2.74Å; L532-I554 HydrophobicContact CB-CD1 4Å; L532-I554 HydrophobicContact CD1-CD1 3.8Å; F550-I554 HydrophobicContact CD2-CD1 4.08Å; F550-I554 HydrophobicContact CD2-CG1 4.11Å; F550-I554 HydrophobicContact CE2-CD1 4.3Å; I554-L557 HydrophobicContact CG2-CD2 4.25Å; I554-V572 HydrophobicContact CB-CG1 4.44Å; I554-V572 HydrophobicContact CG1-CG1 4.01Å; I554-V572 HydrophobicContact CG2-CG1 3.69Å; I554-S573 CarbonylContact C-O 3.58Å; I554-S573 WeakPolarHBondContact CA-O 3.32Å; I554-L574 HydrophobicContact CG1-CD2 4.1Å; I554-W575 PolarHBondContact O-NE1 3.25Å |
| 555 | S | 92.4 | Very high | 88 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -39.4 | -174.6 | 78.8 | 0 | 0 | 0 | 0 | 114.5 | S573 W575 A602 | S555-S573 PolarHBondContact N-O 3.26Å; S555-S573 VanDerWaalsContact OG-CB 3.23Å; S555-S573 WeakPolarHBondContact OG-CB 3.28Å; S555-S573 PolarHBondContact OG-OG 2.8Å; S555-W575 VanDerWaalsContact CA-CD1 3.48Å; S555-A602 VanDerWaalsContact CB-O 3.28Å; S555-A602 WeakPolarHBondContact CB-O 3.41Å; S555-A602 PolarHBondContact OG-O 2.75Å |
| 556 | C | 93 | Very high | 87.7 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 154.3 | 173.1 | 54 | 0 | 0 | 0 | 0 | 109.1 | S573 I605 | C556-S573 PolarHBondContact O-N 3.07Å; C556-S573 WeakPolarHBondContact SG-CB 3.34Å; C556-I605 HydrophobicContact CB-CG2 4.13Å |
| 557 | L | 94.8 | Very high | 87.5 | Confident | 21 Ų | 21 | 40 Ų | 40 | 11% | 0.11 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 151.9 | 178 | 63.3 | 89.6 | 0 | 0 | 0 | 111.2 | M514 A516 V525 A527 L532 I554 C571 V572 | M514-L557 HydrophobicContact CB-CD2 4.22Å; M514-L557 HydrophobicContact CE-CB 4.35Å; M514-L557 HydrophobicContact CE-CD2 3.7Å; M514-L557 HydrophobicContact CE-CG 3.81Å; A516-L557 HydrophobicContact CB-CD1 3.24Å; V525-L557 HydrophobicContact CG1-CD1 4.37Å; A527-L557 HydrophobicContact CB-CD2 3.66Å; L532-L557 HydrophobicContact CD1-CD2 4.21Å; I554-L557 HydrophobicContact CG2-CD2 4.25Å; L557-C571 CarbonylContact C-O 3.53Å; L557-C571 WeakPolarHBondContact CA-O 3.31Å; L557-V572 HydrophobicContact CB-CG2 4.09Å |
| 558 | D | 91.9 | Very high | 87.4 | Confident | 18 Ų | 18 | 42.7 Ų | 42.7 | 10% | 0.096 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 145.4 | 177 | 178.2 | 47.8 | 0 | 0 | 0 | 112 | S560 C571 I605 L606 L607 | D558-S560 VanDerWaalsContact OD1-CB 3.22Å; D558-S560 WeakPolarHBondContact OD1-CB 3.35Å; D558-S560 PolarHBondContact OD1-N 2.84Å; D558-S560 PolarHBondContact OD1-OG 2.88Å; D558-S560 PolarHBondContact OD2-OG 2.83Å; D558-C571 PolarHBondContact N-O 3.33Å; D558-C571 PolarHBondContact O-N 3.26Å; D558-I605 HydrophobicContact CB-CG2 3.9Å; D558-I605 VanDerWaalsContact CB-O 3.3Å; D558-I605 WeakPolarHBondContact CB-O 3.23Å; D558-L606 WeakPolarHBondContact OD2-CA 3.25Å; D558-L607 PolarHBondContact OD2-N 2.89Å |
| 559 | I | 91.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | trans | -140.1 | 17 | 175.6 | 61 | 169.9 | 0 | 0 | 0 | 112.2 | A516 N518 Q523 V525 F561 S567 A570 L585 | A516-I559 HydrophobicContact CB-CG1 3.92Å; A516-I559 WeakPolarHBondContact O-CD1 3.36Å; N518-I559 HydrophobicContact CB-CD1 4.13Å; N518-I559 HydrophobicContact CB-CG1 4.3Å; Q523-I559 HydrophobicContact CB-CD1 4.19Å; Q523-I559 VanDerWaalsContact O-CD1 3.24Å; Q523-I559 WeakPolarHBondContact O-CD1 3.47Å; V525-I559 HydrophobicContact CB-CD1 4.35Å; V525-I559 HydrophobicContact CB-CG2 4.14Å; V525-I559 HydrophobicContact CG2-CD1 4.12Å; V525-I559 HydrophobicContact CG2-CG2 3.72Å; I559-F561 VanDerWaalsContact C-N 3.28Å; I559-F561 PolarHBondContact O-N 2.8Å; I559-S567 WeakPolarHBondContact O-CB 3.4Å; I559-A570 HydrophobicContact CG2-CB 3.72Å; I559-L585 HydrophobicContact CG2-CD1 4.17Å | ||
| 560 | S | 82.5 | Confident | 87.2 | Confident | 48 Ų | 48 | 38.3 Ų | 38.3 | 34% | 0.336 | 23% | 0.226 | S | C | . | . | trans | -69.1 | -22.8 | -172.9 | 61.4 | 0 | 0 | 0 | 0 | 114.1 | D558 A562 L606 | D558-S560 VanDerWaalsContact OD1-CB 3.22Å; D558-S560 WeakPolarHBondContact OD1-CB 3.35Å; D558-S560 PolarHBondContact OD1-N 2.84Å; D558-S560 PolarHBondContact OD1-OG 2.88Å; D558-S560 PolarHBondContact OD2-OG 2.83Å; S560-A562 PolarHBondContact O-N 2.77Å; S560-L606 WeakPolarHBondContact OG-CD1 3.3Å | ||
| 561 | F | 83 | Confident | 87.3 | Confident | 32 Ų | 32 | 37.2 Ų | 37.2 | 14% | 0.14 | 22% | 0.221 | C | C | . | . | trans | -77.4 | 105.3 | 179.7 | -175.1 | -110.3 | 0 | 0 | 0 | 112.4 | I559 P563 S567 L607 R609 L614 | I559-F561 VanDerWaalsContact C-N 3.28Å; I559-F561 PolarHBondContact O-N 2.8Å; F561-P563 HydrophobicContact CD1-CG 4.49Å; F561-P563 HydrophobicContact CE1-CG 3.77Å; F561-P563 HydrophobicContact CE2-CG 4.48Å; F561-P563 HydrophobicContact CZ-CB 4.16Å; F561-P563 HydrophobicContact CZ-CG 3.75Å; F561-S567 WeakPolarHBondContact O-CA 3.22Å; F561-S567 VanDerWaalsContact O-CB 3.22Å; F561-S567 WeakPolarHBondContact O-CB 3.38Å; F561-S567 PolarHBondContact O-OG 3.14Å; F561-L607 HydrophobicContact CB-CB 3.93Å; F561-L607 HydrophobicContact CB-CD2 3.86Å; F561-L607 HydrophobicContact CB-CG 3.81Å; F561-L607 WeakPolarHBondContact CB-O 3.43Å; F561-L607 HydrophobicContact CD1-CD2 3.67Å; F561-L607 HydrophobicContact CD1-CG 4.07Å; F561-L607 HydrophobicContact CG-CD2 3.98Å; F561-L607 HydrophobicContact CG-CG 3.94Å; F561-R609 HydrophobicContact CE2-CB 3.77Å; F561-L614 HydrophobicContact CD1-CD1 4.14Å; F561-L614 HydrophobicContact CD2-CD1 3.9Å; F561-L614 HydrophobicContact CE1-CD1 3.77Å; F561-L614 HydrophobicContact CE1-CD2 3.95Å; F561-L614 HydrophobicContact CE2-CD1 3.54Å; F561-L614 HydrophobicContact CG-CD1 4.2Å; F561-L614 HydrophobicContact CZ-CD1 3.46Å; F561-L614 VanDerWaalsContact CZ-CD1 3.46Å; F561-L614 HydrophobicContact CZ-CD2 4.2Å; F561-L614 HydrophobicContact CZ-CG 4.44Å | ||
| 562 | A | 81.5 | Confident | 87.7 | Confident | 20 Ų | 20 | 30.3 Ų | 30.3 | 17% | 0.165 | 18% | 0.184 | C | C | . | . | trans | -139.2 | 74.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N518 S560 S564 G565 | N518-A562 WeakPolarHBondContact ND2-CB 3.46Å; S560-A562 PolarHBondContact O-N 2.77Å; A562-S564 VanDerWaalsContact C-N 3.25Å; A562-S564 PolarHBondContact O-N 2.77Å; A562-G565 PolarHBondContact O-N 2.86Å; A562-G565 VanDerWaalsContact O-N 3.12Å | ||
| 563 | P | 73.2 | Confident | 87.9 | Confident | 87 Ų | 87 | 29.6 Ų | 29.6 | 57% | 0.565 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -28.5 | -174 | 25.5 | -34.1 | 0 | 0 | 0 | 113.4 | F561 | F561-P563 HydrophobicContact CD1-CG 4.49Å; F561-P563 HydrophobicContact CE1-CG 3.77Å; F561-P563 HydrophobicContact CE2-CG 4.48Å; F561-P563 HydrophobicContact CZ-CB 4.16Å; F561-P563 HydrophobicContact CZ-CG 3.75Å |
| 564 | S | 76.4 | Confident | 88 | Confident | 81 Ų | 81 | 26.1 Ų | 26.1 | 57% | 0.566 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 11.2 | 177.7 | 50.2 | 0 | 0 | 0 | 0 | 113.3 | A562 S566 | A562-S564 VanDerWaalsContact C-N 3.25Å; A562-S564 PolarHBondContact O-N 2.77Å; S564-S566 VanDerWaalsContact C-N 3.33Å; S564-S566 PolarHBondContact OG-O 2.92Å |
| 565 | G | 76.6 | Confident | 87.6 | Confident | 28 Ų | 28 | 31.1 Ų | 31.1 | 29% | 0.289 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 94 | -31.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S520 S521 A562 | S520-G565 PolarHBondContact OG-O 3.46Å; S521-G565 WeakPolarHBondContact CB-O 3.49Å; S521-G565 PolarHBondContact OG-O 3.23Å; A562-G565 PolarHBondContact O-N 2.86Å; A562-G565 VanDerWaalsContact O-N 3.12Å |
| 566 | S | 84.7 | Confident | 87.2 | Confident | 47 Ų | 47 | 36.1 Ų | 36.1 | 33% | 0.329 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -110.3 | 143 | 170.1 | 55.5 | 0 | 0 | 0 | 0 | 111.5 | S564 | S564-S566 VanDerWaalsContact C-N 3.33Å; S564-S566 PolarHBondContact OG-O 2.92Å |
| 567 | S | 86.6 | Confident | 86.7 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | trans | -80 | 129.9 | 168.6 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | N518 Q523 I559 F561 I569 | N518-S567 PolarHBondContact ND2-N 2.92Å; Q523-S567 PolarHBondContact NE2-O 2.79Å; Q523-S567 PolarHBondContact OE1-O 2.85Å; I559-S567 WeakPolarHBondContact O-CB 3.4Å; F561-S567 WeakPolarHBondContact O-CA 3.22Å; F561-S567 VanDerWaalsContact O-CB 3.22Å; F561-S567 WeakPolarHBondContact O-CB 3.38Å; F561-S567 PolarHBondContact O-OG 3.14Å; S567-I569 PolarHBondContact OG-N 2.92Å; S567-I569 PolarHBondContact OG-O 3.42Å | ||
| 568 | E | 88.6 | Confident | 86.4 | Confident | 115 Ų | 115 | 39 Ų | 39 | 54% | 0.537 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -92.2 | -16 | 172.1 | -63.9 | 179 | -178.4 | 0 | 0 | 111.7 | H584 L585 | E568-H584 CarbonylContact O-C 3.55Å; E568-H584 WeakPolarHBondContact O-CA 3.38Å; E568-L585 PolarHBondContact O-N 2.7Å |
| 569 | I | 89.8 | Confident | 86.4 | Confident | 27 Ų | 27 | 38.2 Ų | 38.2 | 14% | 0.138 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 122 | -172.8 | -56.6 | 176 | 0 | 0 | 0 | 109.8 | S567 L582 I583 L591 | S567-I569 PolarHBondContact OG-N 2.92Å; S567-I569 PolarHBondContact OG-O 3.42Å; I569-L582 HydrophobicContact CG2-CB 4.1Å; I569-L582 HydrophobicContact CG2-CD2 4.1Å; I569-I583 CarbonylContact C-O 3.6Å; I569-I583 VanDerWaalsContact CA-O 3.31Å; I569-I583 WeakPolarHBondContact CA-O 3.5Å; I569-L591 HydrophobicContact CG1-CD1 4.31Å |
| 570 | A | 92.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 128.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | I559 I583 L585 | I559-A570 HydrophobicContact CG2-CB 3.72Å; A570-I583 HydrophobicContact CB-CB 4.31Å; A570-I583 PolarHBondContact N-O 3.36Å; A570-I583 PolarHBondContact O-N 2.94Å; A570-L585 HydrophobicContact CB-CD1 4.12Å; A570-L585 HydrophobicContact CB-CD2 4.23Å; A570-L585 HydrophobicContact CB-CG 4.1Å |
| 571 | C | 93.8 | Very high | 87 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 125.3 | 174.1 | -65.6 | 0 | 0 | 0 | 0 | 108.7 | L557 D558 L582 I605 L616 | L557-C571 CarbonylContact C-O 3.53Å; L557-C571 WeakPolarHBondContact CA-O 3.31Å; D558-C571 PolarHBondContact N-O 3.33Å; D558-C571 PolarHBondContact O-N 3.26Å; C571-L582 HydrophobicContact CB-CD2 4.48Å; C571-L582 WeakPolarHBondContact SG-CD2 3.49Å; C571-I605 HydrophobicContact CB-CD1 3.69Å; C571-I605 HydrophobicContact CB-CG1 3.92Å; C571-I605 HydrophobicContact CB-CG2 4.4Å; C571-L616 HydrophobicContact CB-CD1 4.3Å |
| 572 | V | 94.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 141.2 | -176.9 | 178.5 | 0 | 0 | 0 | 0 | 110 | L532 I554 L557 V580 L581 I583 | L532-V572 HydrophobicContact CD1-CG2 4.2Å; L532-V572 HydrophobicContact CD2-CG2 4Å; I554-V572 HydrophobicContact CB-CG1 4.44Å; I554-V572 HydrophobicContact CG1-CG1 4.01Å; I554-V572 HydrophobicContact CG2-CG1 3.69Å; L557-V572 HydrophobicContact CB-CG2 4.09Å; V572-V580 CarbonylContact O-C 3.57Å; V572-V580 WeakPolarHBondContact O-CA 3.43Å; V572-L581 HydrophobicContact CB-CB 4.5Å; V572-L581 PolarHBondContact N-O 3.45Å; V572-L581 PolarHBondContact O-N 2.92Å; V572-I583 HydrophobicContact CB-CD1 3.92Å; V572-I583 HydrophobicContact CG2-CD1 3.6Å |
| 573 | S | 94.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 149.6 | 172 | 174.1 | 0 | 0 | 0 | 0 | 111.7 | I554 S555 C556 C579 A602 | I554-S573 CarbonylContact C-O 3.58Å; I554-S573 WeakPolarHBondContact CA-O 3.32Å; S555-S573 PolarHBondContact N-O 3.26Å; S555-S573 VanDerWaalsContact OG-CB 3.23Å; S555-S573 WeakPolarHBondContact OG-CB 3.28Å; S555-S573 PolarHBondContact OG-OG 2.8Å; C556-S573 PolarHBondContact O-N 3.07Å; C556-S573 WeakPolarHBondContact SG-CB 3.34Å; S573-C579 VanDerWaalsContact CA-O 3.32Å; S573-C579 WeakPolarHBondContact CA-O 3.28Å; S573-C579 PolarHBondContact OG-O 3.23Å; S573-A602 WeakPolarHBondContact OG-CB 3.46Å |
| 574 | L | 92.6 | Very high | 89 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 147.6 | 179.7 | -58.4 | -178.5 | 0 | 0 | 0 | 112.4 | F550 E553 I554 C579 L581 | F550-L574 HydrophobicContact CB-CD1 4.27Å; F550-L574 HydrophobicContact CB-CD2 3.86Å; F550-L574 HydrophobicContact CD2-CD2 4.1Å; F550-L574 HydrophobicContact CG-CD2 3.96Å; E553-L574 WeakPolarHBondContact O-CA 3.35Å; I554-L574 HydrophobicContact CG1-CD2 4.1Å; L574-C579 PolarHBondContact N-O 3.33Å; L574-C579 VanDerWaalsContact N-O 3.16Å; L574-L581 HydrophobicContact CD1-CD1 3.94Å; L574-L581 HydrophobicContact CD2-CD1 4.42Å; L574-L581 HydrophobicContact CG-CD1 4.11Å |
| 575 | W | 86.4 | Confident | 89.7 | Confident | 112 Ų | 112 | 28.9 Ų | 28.9 | 42% | 0.424 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -57.1 | -177.2 | -85 | 56.5 | 0 | 0 | 0 | 114.3 | E553 I554 S555 I578 M601 | E553-W575 HydrophobicContact CB-CG 4.26Å; E553-W575 VanDerWaalsContact O-CD1 3.29Å; E553-W575 PolarHBondContact O-N 3.28Å; I554-W575 PolarHBondContact O-NE1 3.25Å; S555-W575 VanDerWaalsContact CA-CD1 3.48Å; W575-I578 WeakPolarHBondContact O-CG1 3.37Å; W575-M601 HydrophobicContact CD2-SD 4.29Å; W575-M601 HydrophobicContact CE3-SD 4.43Å; W575-M601 HydrophobicContact CZ2-SD 4.39Å |
| 576 | V | 84 | Confident | 90.2 | Very high | 111 Ų | 111 | 30.9 Ų | 30.9 | 67% | 0.673 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -44 | -167.3 | -177.3 | 0 | 0 | 0 | 0 | 112 | S552 I578 | S552-V576 WeakPolarHBondContact OG-CB 3.47Å; V576-I578 PolarHBondContact O-N 3.07Å |
| 577 | D | 82 | Confident | 90.5 | Very high | 57 Ų | 57 | 32.4 Ų | 32.4 | 31% | 0.305 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -12.6 | -178.1 | -83.5 | -1 | 0 | 0 | 0 | 113.5 | C579 K593 | D577-C579 HydrophobicContact CB-CB 4.47Å; D577-C579 PolarHBondContact O-N 3.34Å; D577-K593 IonicContact OD2-NZ 3.75Å; D577-K593 PolarHBondContact OD2-NZ 2.91Å |
| 578 | I | 87.9 | Confident | 90.7 | Very high | 29 Ų | 29 | 32.9 Ų | 32.9 | 15% | 0.149 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 41.7 | 62 | -175 | -47.7 | 177.3 | 0 | 0 | 0 | 110.6 | W575 V576 L596 S598 F600 M620 | W575-I578 WeakPolarHBondContact O-CG1 3.37Å; V576-I578 PolarHBondContact O-N 3.07Å; I578-L596 HydrophobicContact CG2-CB 4.19Å; I578-L596 HydrophobicContact CG2-CD1 4.23Å; I578-L596 PolarHBondContact O-N 3.15Å; I578-S598 WeakPolarHBondContact CD1-O 3.14Å; I578-F600 WeakPolarHBondContact CG2-O 3.4Å; I578-M620 HydrophobicContact CG2-CE 4.43Å |
| 579 | C | 92.4 | Very high | 90.9 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 153.7 | -176.9 | 68.9 | 0 | 0 | 0 | 0 | 111.2 | S573 L574 D577 K593 Q594 | S573-C579 VanDerWaalsContact CA-O 3.32Å; S573-C579 WeakPolarHBondContact CA-O 3.28Å; S573-C579 PolarHBondContact OG-O 3.23Å; L574-C579 PolarHBondContact N-O 3.33Å; L574-C579 VanDerWaalsContact N-O 3.16Å; D577-C579 HydrophobicContact CB-CB 4.47Å; D577-C579 PolarHBondContact O-N 3.34Å; C579-K593 HydrophobicContact CB-CG 4.45Å; C579-K593 WeakPolarHBondContact SG-CE 3.29Å; C579-Q594 CarbonylContact C-O 3.47Å; C579-Q594 VanDerWaalsContact CA-O 3.23Å; C579-Q594 WeakPolarHBondContact CA-O 3.35Å; C579-Q594 VanDerWaalsContact CB-O 3.3Å; C579-Q594 WeakPolarHBondContact CB-O 3.46Å |
| 580 | V | 93.1 | Very high | 91 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 136.9 | 171.6 | 177.4 | 0 | 0 | 0 | 0 | 109.5 | V572 Q594 L596 I605 L616 V618 | V572-V580 CarbonylContact O-C 3.57Å; V572-V580 WeakPolarHBondContact O-CA 3.43Å; V580-Q594 PolarHBondContact N-O 3.48Å; V580-Q594 PolarHBondContact O-N 3.38Å; V580-L596 HydrophobicContact CG2-CD1 3.91Å; V580-L596 HydrophobicContact CG2-CD2 3.76Å; V580-L596 HydrophobicContact CG2-CG 3.99Å; V580-I605 HydrophobicContact CB-CD1 4.42Å; V580-I605 HydrophobicContact CG1-CD1 3.52Å; V580-I605 HydrophobicContact CG2-CD1 4.03Å; V580-L616 HydrophobicContact CG1-CD2 4.01Å; V580-V618 HydrophobicContact CG2-CG1 4.24Å; V580-V618 HydrophobicContact CG2-CG2 3.98Å |
| 581 | L | 94.1 | Very high | 91 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 128.8 | 174.7 | -55.2 | -178.9 | 0 | 0 | 0 | 109 | F550 V572 L574 I583 V590 K592 K593 | F550-L581 HydrophobicContact CD1-CD1 3.79Å; F550-L581 HydrophobicContact CE1-CD1 3.56Å; F550-L581 HydrophobicContact CG-CD1 4.49Å; F550-L581 HydrophobicContact CZ-CD1 4.08Å; V572-L581 HydrophobicContact CB-CB 4.5Å; V572-L581 PolarHBondContact N-O 3.45Å; V572-L581 PolarHBondContact O-N 2.92Å; L574-L581 HydrophobicContact CD1-CD1 3.94Å; L574-L581 HydrophobicContact CD2-CD1 4.42Å; L574-L581 HydrophobicContact CG-CD1 4.11Å; L581-I583 HydrophobicContact CB-CD1 4.47Å; L581-I583 HydrophobicContact CB-CG1 4.21Å; L581-V590 HydrophobicContact CD2-CG1 4.11Å; L581-K592 VanDerWaalsContact CA-O 3.29Å; L581-K592 WeakPolarHBondContact CA-O 3.34Å; L581-K593 HydrophobicContact CD2-CB 3.6Å; L581-K593 HydrophobicContact CD2-CD 3.9Å; L581-K593 HydrophobicContact CD2-CG 3.52Å |
| 582 | L | 93.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 122.9 | 161.7 | -59.4 | -177.4 | 0 | 0 | 0 | 107.4 | I569 C571 L591 K592 L637 | I569-L582 HydrophobicContact CG2-CB 4.1Å; I569-L582 HydrophobicContact CG2-CD2 4.1Å; C571-L582 HydrophobicContact CB-CD2 4.48Å; C571-L582 WeakPolarHBondContact SG-CD2 3.49Å; L582-L591 HydrophobicContact CB-CB 4.33Å; L582-L591 WeakPolarHBondContact O-CB 3.47Å; L582-L591 PolarHBondContact O-N 3.01Å; L582-K592 HydrophobicContact CB-CB 4.18Å; L582-K592 HydrophobicContact CD1-CB 4.2Å; L582-K592 HydrophobicContact CG-CB 4.3Å; L582-K592 PolarHBondContact N-O 3.22Å; L582-K592 PolarHBondContact O-N 3.2Å; L582-L637 HydrophobicContact CD1-CD2 4.12Å; L582-L637 HydrophobicContact CD1-CG 4.39Å |
| 583 | I | 93.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 133.9 | -175.1 | -59.4 | 166.9 | 0 | 0 | 0 | 108.5 | L532 F550 I569 A570 V572 L581 M588 T589 V590 | L532-I583 HydrophobicContact CD2-CD1 3.66Å; F550-I583 HydrophobicContact CE1-CD1 4.43Å; F550-I583 HydrophobicContact CE2-CD1 4.23Å; F550-I583 HydrophobicContact CZ-CD1 3.54Å; I569-I583 CarbonylContact C-O 3.6Å; I569-I583 VanDerWaalsContact CA-O 3.31Å; I569-I583 WeakPolarHBondContact CA-O 3.5Å; A570-I583 HydrophobicContact CB-CB 4.31Å; A570-I583 PolarHBondContact N-O 3.36Å; A570-I583 PolarHBondContact O-N 2.94Å; V572-I583 HydrophobicContact CB-CD1 3.92Å; V572-I583 HydrophobicContact CG2-CD1 3.6Å; L581-I583 HydrophobicContact CB-CD1 4.47Å; L581-I583 HydrophobicContact CB-CG1 4.21Å; I583-M588 HydrophobicContact CG2-SD 4.45Å; I583-T589 WeakPolarHBondContact CA-O 3.34Å; I583-V590 HydrophobicContact CG1-CG2 4.48Å |
| 584 | H | 92.6 | Very high | 90.7 | Very high | 60 Ų | 60 | 46.9 Ų | 46.9 | 28% | 0.278 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 131.4 | 175.5 | -177.2 | -100.9 | 0 | 0 | 0 | 111.4 | E568 T587 M588 T589 L591 | E568-H584 CarbonylContact O-C 3.55Å; E568-H584 WeakPolarHBondContact O-CA 3.38Å; H584-T587 PolarHBondContact ND1-OG1 2.86Å; H584-T587 PolarHBondContact O-N 3.1Å; H584-M588 WeakPolarHBondContact O-CA 3.47Å; H584-M588 PolarHBondContact O-N 3.34Å; H584-T589 PolarHBondContact N-O 3.27Å; H584-L591 HydrophobicContact CB-CD1 3.92Å; H584-L591 HydrophobicContact CB-CD2 3.95Å; H584-L591 HydrophobicContact CB-CG 3.88Å |
| 585 | L | 90.4 | Very high | 90.7 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 134.8 | 170.5 | -63.6 | 178.5 | 0 | 0 | 0 | 109.2 | V525 Y534 I559 E568 A570 M588 | V525-L585 HydrophobicContact CG2-CD1 4.39Å; V525-L585 HydrophobicContact CG2-CD2 4.38Å; Y534-L585 HydrophobicContact CD1-CD2 4.17Å; Y534-L585 HydrophobicContact CD2-CD1 4.35Å; Y534-L585 HydrophobicContact CD2-CD2 3.86Å; Y534-L585 HydrophobicContact CE1-CD2 4.43Å; Y534-L585 HydrophobicContact CE2-CD1 3.93Å; Y534-L585 HydrophobicContact CE2-CD2 4.09Å; Y534-L585 HydrophobicContact CE2-CG 4.46Å; Y534-L585 HydrophobicContact CG-CD2 3.88Å; I559-L585 HydrophobicContact CG2-CD1 4.17Å; E568-L585 PolarHBondContact O-N 2.7Å; A570-L585 HydrophobicContact CB-CD1 4.12Å; A570-L585 HydrophobicContact CB-CD2 4.23Å; A570-L585 HydrophobicContact CB-CG 4.1Å; L585-M588 HydrophobicContact CD2-SD 3.64Å |
| 586 | P | 88 | Confident | 90.7 | Very high | 69 Ų | 69 | 49.3 Ų | 49.3 | 45% | 0.448 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -92.3 | -3.3 | 8.3 | 36.5 | -37.8 | 0 | 0 | 0 | 114.8 | Y534 T545 M588 | Y534-P586 HydrophobicContact CD1-CB 4.23Å; Y534-P586 HydrophobicContact CE1-CB 3.71Å; T545-P586 HydrophobicContact CG2-CB 3.83Å; P586-M588 PolarHBondContact O-N 2.72Å; P586-M588 VanDerWaalsContact O-N 3.16Å |
| 587 | T | 90.6 | Very high | 90.6 | Very high | 80 Ų | 80 | 49.1 Ų | 49.1 | 49% | 0.491 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -14.3 | -169 | 58.6 | 0 | 0 | 0 | 0 | 114.4 | H584 T589 | H584-T587 PolarHBondContact ND1-OG1 2.86Å; H584-T587 PolarHBondContact O-N 3.1Å; T587-T589 PolarHBondContact O-N 3.29Å; T587-T589 PolarHBondContact OG1-OG1 3.48Å |
| 588 | M | 91 | Very high | 90.6 | Very high | 11 Ų | 11 | 47.9 Ų | 47.9 | 5% | 0.054 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 25.6 | -177.4 | -59.4 | -67.2 | -98.8 | 0 | 0 | 113.5 | L532 Y534 T548 I583 H584 L585 P586 | L532-M588 HydrophobicContact CB-CE 4.15Å; L532-M588 HydrophobicContact CD2-CE 3.72Å; L532-M588 HydrophobicContact CD2-SD 4.46Å; L532-M588 HydrophobicContact CG-CE 3.86Å; L532-M588 WeakPolarHBondContact O-CE 3.14Å; Y534-M588 HydrophobicContact CG-SD 4.42Å; T548-M588 HydrophobicContact CG2-CB 4.19Å; T548-M588 HydrophobicContact CG2-CE 4.17Å; I583-M588 HydrophobicContact CG2-SD 4.45Å; H584-M588 WeakPolarHBondContact O-CA 3.47Å; H584-M588 PolarHBondContact O-N 3.34Å; L585-M588 HydrophobicContact CD2-SD 3.64Å; P586-M588 PolarHBondContact O-N 2.72Å; P586-M588 VanDerWaalsContact O-N 3.16Å |
| 589 | T | 93 | Very high | 90.4 | Very high | 74 Ų | 74 | 55.1 Ų | 55.1 | 45% | 0.454 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 135.4 | 178.6 | 51.2 | 0 | 0 | 0 | 0 | 111 | I583 H584 T587 L591 | I583-T589 WeakPolarHBondContact CA-O 3.34Å; H584-T589 PolarHBondContact N-O 3.27Å; T587-T589 PolarHBondContact O-N 3.29Å; T587-T589 PolarHBondContact OG1-OG1 3.48Å; T589-L591 PolarHBondContact O-N 2.81Å |
| 590 | V | 91.8 | Very high | 90 | Very high | 70 Ų | 70 | 60 Ų | 60 | 42% | 0.424 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 114.9 | 175.8 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | F550 L581 I583 | F550-V590 HydrophobicContact CE1-CG2 4.09Å; L581-V590 HydrophobicContact CD2-CG1 4.11Å; I583-V590 HydrophobicContact CG1-CG2 4.48Å |
| 591 | L | 91.4 | Very high | 89.9 | Confident | 74 Ų | 74 | 62.4 Ų | 62.4 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | -44.9 | 174.9 | -63.7 | 174.3 | 0 | 0 | 0 | 111.2 | I569 L582 H584 T589 C635 | I569-L591 HydrophobicContact CG1-CD1 4.31Å; L582-L591 HydrophobicContact CB-CB 4.33Å; L582-L591 WeakPolarHBondContact O-CB 3.47Å; L582-L591 PolarHBondContact O-N 3.01Å; H584-L591 HydrophobicContact CB-CD1 3.92Å; H584-L591 HydrophobicContact CB-CD2 3.95Å; H584-L591 HydrophobicContact CB-CG 3.88Å; T589-L591 PolarHBondContact O-N 2.81Å; L591-C635 HydrophobicContact CB-CB 4.42Å; L591-C635 HydrophobicContact CD1-CB 4.37Å |
| 592 | K | 91.9 | Very high | 89.8 | Confident | 60 Ų | 60 | 62.2 Ų | 62.2 | 26% | 0.261 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 138 | -177.3 | -172 | 71.4 | -179.9 | -167.3 | 0 | 110.7 | L581 L582 D636 | L581-K592 VanDerWaalsContact CA-O 3.29Å; L581-K592 WeakPolarHBondContact CA-O 3.34Å; L582-K592 HydrophobicContact CB-CB 4.18Å; L582-K592 HydrophobicContact CD1-CB 4.2Å; L582-K592 HydrophobicContact CG-CB 4.3Å; L582-K592 PolarHBondContact N-O 3.22Å; L582-K592 PolarHBondContact O-N 3.2Å; K592-D636 VanDerWaalsContact CE-OD1 3.24Å; K592-D636 WeakPolarHBondContact CE-OD1 3.29Å; K592-D636 IonicContact NZ-OD1 2.79Å; K592-D636 PolarHBondContact NZ-OD1 3.39Å |
| 593 | K | 92.5 | Very high | 89.8 | Confident | 108 Ų | 108 | 67.5 Ų | 67.5 | 47% | 0.47 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 119.2 | 166.9 | 179.5 | 167.9 | -174.9 | 173.6 | 0 | 108.7 | D577 C579 L581 | D577-K593 IonicContact OD2-NZ 3.75Å; D577-K593 PolarHBondContact OD2-NZ 2.91Å; C579-K593 HydrophobicContact CB-CG 4.45Å; C579-K593 WeakPolarHBondContact SG-CE 3.29Å; L581-K593 HydrophobicContact CD2-CB 3.6Å; L581-K593 HydrophobicContact CD2-CD 3.9Å; L581-K593 HydrophobicContact CD2-CG 3.52Å |
| 594 | Q | 93 | Very high | 89.7 | Confident | 51 Ų | 51 | 68.1 Ų | 68.1 | 24% | 0.238 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 122.6 | -178.7 | -179 | 59.1 | 50.3 | 0 | 0 | 110.2 | C579 V580 Y628 L637 | C579-Q594 CarbonylContact C-O 3.47Å; C579-Q594 VanDerWaalsContact CA-O 3.23Å; C579-Q594 WeakPolarHBondContact CA-O 3.35Å; C579-Q594 VanDerWaalsContact CB-O 3.3Å; C579-Q594 WeakPolarHBondContact CB-O 3.46Å; V580-Q594 PolarHBondContact N-O 3.48Å; V580-Q594 PolarHBondContact O-N 3.38Å; Q594-Y628 HydrophobicContact CG-CE1 4.3Å; Q594-L637 HydrophobicContact CB-CD1 3.69Å; Q594-L637 HydrophobicContact CG-CD1 3.89Å |
| 595 | R | 91.1 | Very high | 89.8 | Confident | 166 Ų | 166 | 65.7 Ų | 65.7 | 63% | 0.626 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 140.3 | 174.8 | -160.9 | 174.7 | -174.3 | 151.6 | 1.3 | 109.9 | ||
| 596 | L | 87.2 | Confident | 89.9 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | -89.5 | -7.4 | -177.3 | -66.9 | 171.7 | 0 | 0 | 0 | 114 | I578 V580 S598 A602 V618 M620 I626 Y628 R640 | I578-L596 HydrophobicContact CG2-CB 4.19Å; I578-L596 HydrophobicContact CG2-CD1 4.23Å; I578-L596 PolarHBondContact O-N 3.15Å; V580-L596 HydrophobicContact CG2-CD1 3.91Å; V580-L596 HydrophobicContact CG2-CD2 3.76Å; V580-L596 HydrophobicContact CG2-CG 3.99Å; L596-S598 VanDerWaalsContact C-N 3.3Å; L596-S598 PolarHBondContact O-N 2.77Å; L596-A602 HydrophobicContact CD1-CB 4.08Å; L596-V618 HydrophobicContact CD1-CG1 3.87Å; L596-V618 HydrophobicContact CD2-CG1 4.18Å; L596-V618 HydrophobicContact CD2-CG2 4.39Å; L596-M620 HydrophobicContact CB-CE 4.45Å; L596-M620 HydrophobicContact CD1-CE 4.05Å; L596-M620 HydrophobicContact CD1-SD 3.96Å; L596-I626 HydrophobicContact CB-CD1 4.37Å; L596-I626 HydrophobicContact CD2-CD1 4.26Å; L596-Y628 HydrophobicContact CD2-CE2 4.12Å; L596-R640 PolarHBondContact O-NH2 2.99Å | ||
| 597 | D | 82.7 | Confident | 90 | Very high | 106 Ų | 106 | 62.7 Ų | 62.7 | 57% | 0.567 | 30% | 0.304 | S | S | * | . | trans | 44.2 | 51.9 | -176.8 | -50.4 | -36.7 | 0 | 0 | 0 | 113.2 | R640 | D597-R640 IonicContact OD2-NH1 3.54Å; D597-R640 PolarHBondContact OD2-NH1 2.78Å | ||
| 598 | S | 81.5 | Confident | 89.9 | Confident | 32 Ų | 32 | 59.2 Ų | 59.2 | 22% | 0.224 | 28% | 0.283 | C | S | . | . | trans | -132.2 | 152.2 | 178.7 | 172.3 | 0 | 0 | 0 | 0 | 109.3 | I578 L596 F600 M620 | I578-S598 WeakPolarHBondContact CD1-O 3.14Å; L596-S598 VanDerWaalsContact C-N 3.3Å; L596-S598 PolarHBondContact O-N 2.77Å; S598-F600 PolarHBondContact OG-N 2.87Å; S598-F600 PolarHBondContact OG-O 3.18Å; S598-M620 VanDerWaalsContact CB-CE 3.47Å; S598-M620 WeakPolarHBondContact OG-CE 3.42Å | ||
| 599 | E | 82.5 | Confident | 89.6 | Confident | 181 Ų | 181 | 62.3 Ų | 62.3 | 85% | 0.846 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -82.4 | -20.6 | 171.3 | -63.1 | -173 | 172.6 | 0 | 0 | 112.2 | ||
| 600 | F | 85.5 | Confident | 88.9 | Confident | 104 Ų | 104 | 58.9 Ų | 58.9 | 46% | 0.456 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -96.5 | 143.2 | -179.6 | -61.1 | -86.8 | 0 | 0 | 0 | 111.3 | I578 S598 M620 D622 | I578-F600 WeakPolarHBondContact CG2-O 3.4Å; S598-F600 PolarHBondContact OG-N 2.87Å; S598-F600 PolarHBondContact OG-O 3.18Å; F600-M620 WeakPolarHBondContact O-CE 3.25Å; F600-D622 HydrophobicContact CB-CB 4.13Å; F600-D622 HydrophobicContact CD1-CB 3.99Å; F600-D622 HydrophobicContact CD2-CB 3.5Å; F600-D622 WeakPolarHBondContact CD2-OD2 3.48Å; F600-D622 HydrophobicContact CE1-CB 4.26Å; F600-D622 HydrophobicContact CE2-CB 3.81Å; F600-D622 HydrophobicContact CG-CB 3.6Å; F600-D622 HydrophobicContact CZ-CB 4.18Å |
| 601 | M | 90.5 | Very high | 88.1 | Confident | 51 Ų | 51 | 59.7 Ų | 59.7 | 25% | 0.251 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 151.2 | 176.8 | 59.6 | 175 | 140.5 | 0 | 0 | 112.6 | W575 R603 G621 | W575-M601 HydrophobicContact CD2-SD 4.29Å; W575-M601 HydrophobicContact CE3-SD 4.43Å; W575-M601 HydrophobicContact CZ2-SD 4.39Å; M601-R603 VanDerWaalsContact SD-CZ 3.56Å; M601-G621 PolarHBondContact O-N 3.02Å |
| 602 | A | 93 | Very high | 87.2 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 136.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S555 S573 L596 V618 G619 M620 | S555-A602 VanDerWaalsContact CB-O 3.28Å; S555-A602 WeakPolarHBondContact CB-O 3.41Å; S555-A602 PolarHBondContact OG-O 2.75Å; S573-A602 WeakPolarHBondContact OG-CB 3.46Å; L596-A602 HydrophobicContact CD1-CB 4.08Å; A602-V618 HydrophobicContact CB-CG1 3.65Å; A602-G619 CarbonylContact C-O 3.59Å; A602-G619 WeakPolarHBondContact CA-O 3.44Å; A602-M620 HydrophobicContact CB-SD 4.03Å |
| 603 | R | 92 | Very high | 86.7 | Confident | 113 Ų | 113 | 62.5 Ų | 62.5 | 43% | 0.426 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | -24.2 | -177 | -70 | -63.9 | -158.7 | 179.6 | 6.5 | 113.3 | M601 G619 P649 | M601-R603 VanDerWaalsContact SD-CZ 3.56Å; R603-G619 PolarHBondContact N-O 2.93Å; R603-P649 HydrophobicContact CB-CB 4.39Å; R603-P649 HydrophobicContact CG-CB 4.11Å |
| 604 | S | 92.4 | Very high | 86.4 | Confident | 13 Ų | 13 | 57.7 Ų | 57.7 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 154.1 | 171 | 58.7 | 0 | 0 | 0 | 0 | 110.4 | G619 V650 L652 | S604-G619 PolarHBondContact N-O 2.72Å; S604-G619 PolarHBondContact O-N 2.95Å; S604-G619 WeakPolarHBondContact OG-CA 3.05Å; S604-V650 WeakPolarHBondContact CB-O 3.41Å; S604-V650 PolarHBondContact OG-O 2.64Å; S604-L652 WeakPolarHBondContact OG-CG 3.25Å |
| 605 | I | 94.1 | Very high | 86.2 | Confident | 10 Ų | 10 | 55.3 Ų | 55.3 | 5% | 0.051 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 142.8 | 175.2 | -169.1 | 161.1 | 0 | 0 | 0 | 107.4 | C556 D558 C571 V580 L616 F617 V618 | C556-I605 HydrophobicContact CB-CG2 4.13Å; D558-I605 HydrophobicContact CB-CG2 3.9Å; D558-I605 VanDerWaalsContact CB-O 3.3Å; D558-I605 WeakPolarHBondContact CB-O 3.23Å; C571-I605 HydrophobicContact CB-CD1 3.69Å; C571-I605 HydrophobicContact CB-CG1 3.92Å; C571-I605 HydrophobicContact CB-CG2 4.4Å; V580-I605 HydrophobicContact CB-CD1 4.42Å; V580-I605 HydrophobicContact CG1-CD1 3.52Å; V580-I605 HydrophobicContact CG2-CD1 4.03Å; I605-L616 HydrophobicContact CD1-CD1 4.08Å; I605-L616 HydrophobicContact CG1-CD1 3.82Å; I605-F617 CarbonylContact C-O 3.55Å; I605-F617 VanDerWaalsContact CA-O 3.31Å; I605-F617 WeakPolarHBondContact CA-O 3.41Å; I605-V618 HydrophobicContact CD1-CG2 4.4Å; I605-V618 HydrophobicContact CG1-CG2 4.36Å |
| 606 | L | 92 | Very high | 86.2 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 126.4 | -179.6 | 176.3 | 66.2 | 0 | 0 | 0 | 109.6 | D558 S560 A608 F617 L652 V654 I677 | D558-L606 WeakPolarHBondContact OD2-CA 3.25Å; S560-L606 WeakPolarHBondContact OG-CD1 3.3Å; L606-A608 HydrophobicContact CD2-CB 4.37Å; L606-A608 HydrophobicContact CG-CB 4.23Å; L606-F617 HydrophobicContact CB-CB 4.35Å; L606-F617 PolarHBondContact N-O 2.53Å; L606-F617 PolarHBondContact O-N 3.19Å; L606-L652 HydrophobicContact CB-CB 4.13Å; L606-L652 HydrophobicContact CB-CD1 3.98Å; L606-L652 HydrophobicContact CD2-CB 4.18Å; L606-V654 HydrophobicContact CD1-CG2 3.69Å; L606-V654 HydrophobicContact CD2-CG2 3.63Å; L606-V654 HydrophobicContact CG-CG2 4.2Å; L606-I677 HydrophobicContact CD2-CB 4.49Å; L606-I677 HydrophobicContact CD2-CD1 4.09Å; L606-I677 HydrophobicContact CD2-CG1 4.13Å; L606-I677 HydrophobicContact CD2-CG2 3.61Å |
| 607 | L | 90.6 | Very high | 86.4 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 121.1 | 168.5 | -173.3 | 61.9 | 0 | 0 | 0 | 108.6 | D558 F561 L614 L616 V630 | D558-L607 PolarHBondContact OD2-N 2.89Å; F561-L607 HydrophobicContact CB-CB 3.93Å; F561-L607 HydrophobicContact CB-CD2 3.86Å; F561-L607 HydrophobicContact CB-CG 3.81Å; F561-L607 WeakPolarHBondContact CB-O 3.43Å; F561-L607 HydrophobicContact CD1-CD2 3.67Å; F561-L607 HydrophobicContact CD1-CG 4.07Å; F561-L607 HydrophobicContact CG-CD2 3.98Å; F561-L607 HydrophobicContact CG-CG 3.94Å; L607-L614 HydrophobicContact CD1-CD1 3.86Å; L607-L614 HydrophobicContact CD1-CD2 4.25Å; L607-L614 HydrophobicContact CD1-CG 3.92Å; L607-L614 HydrophobicContact CG-CD1 4Å; L607-L616 HydrophobicContact CD1-CB 4.26Å; L607-L616 HydrophobicContact CD1-CD1 4.36Å; L607-V630 HydrophobicContact CD1-CG2 3.88Å |
| 608 | A | 87.4 | Confident | 87 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 139 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L606 N615 F617 I677 | L606-A608 HydrophobicContact CD2-CB 4.37Å; L606-A608 HydrophobicContact CG-CB 4.23Å; A608-N615 PolarHBondContact N-O 2.93Å; A608-N615 PolarHBondContact O-N 3.17Å; A608-F617 HydrophobicContact CB-CD2 4.46Å; A608-F617 HydrophobicContact CB-CE2 4.18Å; A608-I677 HydrophobicContact CB-CD1 3.66Å; A608-I677 HydrophobicContact CB-CG1 4.36Å |
| 609 | R | 85.5 | Confident | 87.5 | Confident | 76 Ų | 76 | 40.9 Ų | 40.9 | 29% | 0.287 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 122.5 | 170.6 | -172.9 | 174.7 | -65.8 | 172.5 | 1.7 | 109.8 | F561 Q611 T613 L614 E632 N675 | F561-R609 HydrophobicContact CE2-CB 3.77Å; R609-Q611 WeakPolarHBondContact CG-O 3.5Å; R609-T613 WeakPolarHBondContact CA-O 3.28Å; R609-L614 HydrophobicContact CB-CD1 4.22Å; R609-E632 IonicContact CZ-OE1 2.8Å; R609-E632 IonicContact NE-OE1 2.69Å; R609-E632 IonicContact NH2-OE1 3.17Å; R609-E632 PolarHBondContact NH2-OE1 3.15Å; R609-E632 IonicContact NH2-OE2 2.66Å; R609-E632 PolarHBondContact NH2-OE2 3.41Å; R609-N675 PolarHBondContact O-ND2 2.91Å |
| 610 | L | 77.9 | Confident | 87.9 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 113.8 | 175.6 | -65 | 175.4 | 0 | 0 | 0 | 107.5 | D612 T613 F617 N675 I677 V687 A689 L694 | L610-D612 PolarHBondContact O-N 3.43Å; L610-T613 PolarHBondContact N-O 2.78Å; L610-T613 PolarHBondContact O-N 2.75Å; L610-T613 PolarHBondContact O-OG1 3.3Å; L610-F617 HydrophobicContact CD1-CE2 4.28Å; L610-F617 HydrophobicContact CD1-CZ 3.7Å; L610-N675 HydrophobicContact CD2-CB 3.99Å; L610-N675 WeakPolarHBondContact CD2-O 3.44Å; L610-I677 HydrophobicContact CD1-CD1 3.84Å; L610-I677 HydrophobicContact CD2-CD1 4.15Å; L610-I677 HydrophobicContact CD2-CG1 4.24Å; L610-I677 HydrophobicContact CG-CD1 4.18Å; L610-V687 HydrophobicContact CD1-CG1 4.21Å; L610-A689 HydrophobicContact CB-CB 3.72Å; L610-L694 HydrophobicContact CB-CD2 4.24Å; L610-L694 HydrophobicContact CD1-CD2 3.26Å; L610-L694 HydrophobicContact CG-CD2 4.38Å |
| 611 | Q | 74.8 | Confident | 88 | Confident | 87 Ų | 87 | 28.2 Ų | 28.2 | 41% | 0.407 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | -116.7 | -167.6 | -65.2 | 177.8 | -15.9 | 0 | 0 | 110.9 | R609 A689 | R609-Q611 WeakPolarHBondContact CG-O 3.5Å; Q611-A689 HydrophobicContact CB-CB 4.17Å; Q611-A689 HydrophobicContact CG-CB 3.74Å; Q611-A689 PolarHBondContact NE2-O 2.81Å |
| 612 | D | 73.8 | Confident | 87.7 | Confident | 141 Ų | 141 | 27.5 Ų | 27.5 | 75% | 0.754 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101 | -0.8 | -175.9 | -65.5 | -33.7 | 0 | 0 | 0 | 113.4 | L610 | L610-D612 PolarHBondContact O-N 3.43Š|
| 613 | T | 80 | Confident | 87 | Confident | 51 Ų | 51 | 27.5 Ų | 27.5 | 31% | 0.313 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 131.7 | -178.1 | 60.7 | 0 | 0 | 0 | 0 | 112.2 | R609 L610 N615 | R609-T613 WeakPolarHBondContact CA-O 3.28Å; L610-T613 PolarHBondContact N-O 2.78Å; L610-T613 PolarHBondContact O-N 2.75Å; L610-T613 PolarHBondContact O-OG1 3.3Å; T613-N615 PolarHBondContact O-ND2 3.08Å; T613-N615 PolarHBondContact OG1-ND2 2.9Å |
| 614 | L | 86.7 | Confident | 86.6 | Confident | 8 Ų | 8 | 24.1 Ų | 24.1 | 4% | 0.042 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 122.1 | 171.7 | -175.6 | 61.7 | 0 | 0 | 0 | 109.1 | F561 L607 R609 V630 E632 | F561-L614 HydrophobicContact CD1-CD1 4.14Å; F561-L614 HydrophobicContact CD2-CD1 3.9Å; F561-L614 HydrophobicContact CE1-CD1 3.77Å; F561-L614 HydrophobicContact CE1-CD2 3.95Å; F561-L614 HydrophobicContact CE2-CD1 3.54Å; F561-L614 HydrophobicContact CG-CD1 4.2Å; F561-L614 HydrophobicContact CZ-CD1 3.46Å; F561-L614 VanDerWaalsContact CZ-CD1 3.46Å; F561-L614 HydrophobicContact CZ-CD2 4.2Å; F561-L614 HydrophobicContact CZ-CG 4.44Å; L607-L614 HydrophobicContact CD1-CD1 3.86Å; L607-L614 HydrophobicContact CD1-CD2 4.25Å; L607-L614 HydrophobicContact CD1-CG 3.92Å; L607-L614 HydrophobicContact CG-CD1 4Å; R609-L614 HydrophobicContact CB-CD1 4.22Å; L614-V630 HydrophobicContact CB-CB 4.22Å; L614-V630 HydrophobicContact CD2-CB 3.9Å; L614-V630 HydrophobicContact CD2-CG1 3.87Å; L614-V630 HydrophobicContact CG-CB 3.86Å; L614-V630 HydrophobicContact CG-CG1 4.38Å; L614-V630 HydrophobicContact CG-CG2 4.28Å; L614-V630 PolarHBondContact O-N 2.89Å; L614-E632 HydrophobicContact CB-CG 4.41Å; L614-E632 HydrophobicContact CD2-CG 3.61Å |
| 615 | N | 88.3 | Confident | 86.4 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 137.9 | -175.7 | -62.3 | -69.7 | 0 | 0 | 0 | 110.4 | A608 T613 F617 Y628 D629 | A608-N615 PolarHBondContact N-O 2.93Å; A608-N615 PolarHBondContact O-N 3.17Å; T613-N615 PolarHBondContact O-ND2 3.08Å; T613-N615 PolarHBondContact OG1-ND2 2.9Å; N615-F617 HydrophobicContact CB-CD2 4.32Å; N615-F617 HydrophobicContact CB-CE2 3.47Å; N615-F617 VanDerWaalsContact CB-CE2 3.47Å; N615-F617 HydrophobicContact CB-CZ 3.65Å; N615-Y628 CarbonylContact C-O 3.42Å; N615-Y628 VanDerWaalsContact CA-O 3.31Å; N615-Y628 WeakPolarHBondContact CA-O 3.46Å; N615-D629 PolarHBondContact OD1-OD1 3Å |
| 616 | L | 92 | Very high | 86.2 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 121 | 171.4 | 176.2 | 71.6 | 0 | 0 | 0 | 109.1 | C571 V580 I605 L607 V618 M627 Y628 V630 L637 | C571-L616 HydrophobicContact CB-CD1 4.3Å; V580-L616 HydrophobicContact CG1-CD2 4.01Å; I605-L616 HydrophobicContact CD1-CD1 4.08Å; I605-L616 HydrophobicContact CG1-CD1 3.82Å; L607-L616 HydrophobicContact CD1-CB 4.26Å; L607-L616 HydrophobicContact CD1-CD1 4.36Å; L616-V618 HydrophobicContact CD2-CG2 4.3Å; L616-V618 HydrophobicContact CG-CG2 4.17Å; L616-M627 CarbonylContact O-C 3.59Å; L616-M627 VanDerWaalsContact O-CA 3.25Å; L616-M627 WeakPolarHBondContact O-CA 3.47Å; L616-Y628 HydrophobicContact CD2-CD2 4.22Å; L616-Y628 PolarHBondContact N-O 2.84Å; L616-Y628 PolarHBondContact O-N 2.67Å; L616-V630 HydrophobicContact CB-CG2 3.76Å; L616-L637 HydrophobicContact CB-CD2 4.25Å; L616-L637 HydrophobicContact CD2-CD1 3.78Å; L616-L637 HydrophobicContact CD2-CD2 3.69Å; L616-L637 HydrophobicContact CD2-CG 4.42Å |
| 617 | F | 92.5 | Very high | 86 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 132.8 | 177.8 | -59.2 | -92.5 | 0 | 0 | 0 | 109.9 | I605 L606 A608 L610 N615 L625 I626 M627 L652 I677 V687 | I605-F617 CarbonylContact C-O 3.55Å; I605-F617 VanDerWaalsContact CA-O 3.31Å; I605-F617 WeakPolarHBondContact CA-O 3.41Å; L606-F617 HydrophobicContact CB-CB 4.35Å; L606-F617 PolarHBondContact N-O 2.53Å; L606-F617 PolarHBondContact O-N 3.19Å; A608-F617 HydrophobicContact CB-CD2 4.46Å; A608-F617 HydrophobicContact CB-CE2 4.18Å; L610-F617 HydrophobicContact CD1-CE2 4.28Å; L610-F617 HydrophobicContact CD1-CZ 3.7Å; N615-F617 HydrophobicContact CB-CD2 4.32Å; N615-F617 HydrophobicContact CB-CE2 3.47Å; N615-F617 VanDerWaalsContact CB-CE2 3.47Å; N615-F617 HydrophobicContact CB-CZ 3.65Å; F617-L625 HydrophobicContact CB-CD1 4.25Å; F617-L625 HydrophobicContact CD1-CD2 4.29Å; F617-I626 CarbonylContact C-O 3.56Å; F617-M627 HydrophobicContact CD1-CG 3.75Å; F617-M627 HydrophobicContact CD1-SD 3.75Å; F617-M627 HydrophobicContact CE1-CG 4.02Å; F617-M627 HydrophobicContact CE1-SD 3.46Å; F617-M627 WeakPolarHBondContact CE1-SD 3.24Å; F617-L652 HydrophobicContact CB-CD1 3.7Å; F617-I677 HydrophobicContact CD2-CD1 3.7Å; F617-I677 HydrophobicContact CE1-CD1 4.18Å; F617-I677 HydrophobicContact CE2-CD1 3.23Å; F617-I677 HydrophobicContact CG-CD1 4.37Å; F617-I677 HydrophobicContact CZ-CD1 3.52Å; F617-V687 HydrophobicContact CE1-CG1 4.23Å |
| 618 | V | 94 | Very high | 86 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 106.4 | -178 | -171.8 | 0 | 0 | 0 | 0 | 108.4 | V580 L596 A602 I605 L616 M620 I626 | V580-V618 HydrophobicContact CG2-CG1 4.24Å; V580-V618 HydrophobicContact CG2-CG2 3.98Å; L596-V618 HydrophobicContact CD1-CG1 3.87Å; L596-V618 HydrophobicContact CD2-CG1 4.18Å; L596-V618 HydrophobicContact CD2-CG2 4.39Å; A602-V618 HydrophobicContact CB-CG1 3.65Å; I605-V618 HydrophobicContact CD1-CG2 4.4Å; I605-V618 HydrophobicContact CG1-CG2 4.36Å; L616-V618 HydrophobicContact CD2-CG2 4.3Å; L616-V618 HydrophobicContact CG-CG2 4.17Å; V618-M620 HydrophobicContact CG1-SD 3.87Å; V618-I626 HydrophobicContact CB-CB 4.31Å; V618-I626 PolarHBondContact N-O 3.16Å; V618-I626 PolarHBondContact O-N 2.81Å |
| 619 | G | 92 | Very high | 86 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 123.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A602 R603 S604 | A602-G619 CarbonylContact C-O 3.59Å; A602-G619 WeakPolarHBondContact CA-O 3.44Å; R603-G619 PolarHBondContact N-O 2.93Å; S604-G619 PolarHBondContact N-O 2.72Å; S604-G619 PolarHBondContact O-N 2.95Å; S604-G619 WeakPolarHBondContact OG-CA 3.05Å |
| 620 | M | 90.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 160.2 | -175.1 | -54.8 | -57.8 | -73.4 | 0 | 0 | 111.7 | I578 L596 S598 F600 A602 V618 D622 G623 N624 I626 V650 | I578-M620 HydrophobicContact CG2-CE 4.43Å; L596-M620 HydrophobicContact CB-CE 4.45Å; L596-M620 HydrophobicContact CD1-CE 4.05Å; L596-M620 HydrophobicContact CD1-SD 3.96Å; S598-M620 VanDerWaalsContact CB-CE 3.47Å; S598-M620 WeakPolarHBondContact OG-CE 3.42Å; F600-M620 WeakPolarHBondContact O-CE 3.25Å; A602-M620 HydrophobicContact CB-SD 4.03Å; V618-M620 HydrophobicContact CG1-SD 3.87Å; M620-D622 WeakPolarHBondContact CB-OD1 3.36Å; M620-D622 PolarHBondContact O-N 2.89Å; M620-G623 PolarHBondContact O-N 2.89Å; M620-N624 HydrophobicContact CB-CB 4.17Å; M620-N624 WeakPolarHBondContact CB-O 3.33Å; M620-N624 HydrophobicContact CG-CB 4.22Å; M620-N624 WeakPolarHBondContact CG-O 3.24Å; M620-N624 PolarHBondContact N-O 2.69Å; M620-I626 HydrophobicContact CE-CD1 4.21Å; M620-I626 HydrophobicContact CG-CD1 3.9Å; M620-I626 HydrophobicContact CG-CG1 4.04Å; M620-I626 HydrophobicContact SD-CD1 3.84Å; M620-I626 HydrophobicContact SD-CG1 4.43Å; M620-V650 PolarHBondContact O-N 3.46Å; M620-V650 VanDerWaalsContact O-N 3.15Å |
| 621 | G | 87.9 | Confident | 86.5 | Confident | 19 Ų | 19 | 24.8 Ų | 24.8 | 20% | 0.196 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -14.1 | 180 | 0 | 0 | 0 | 0 | 0 | 115.5 | M601 | M601-G621 PolarHBondContact O-N 3.02Š|
| 622 | D | 83.3 | Confident | 86.8 | Confident | 36 Ų | 36 | 25.4 Ų | 25.4 | 19% | 0.193 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 2.2 | 179.4 | 61.3 | -12.5 | 0 | 0 | 0 | 113.8 | F600 M620 N624 | F600-D622 HydrophobicContact CB-CB 4.13Å; F600-D622 HydrophobicContact CD1-CB 3.99Å; F600-D622 HydrophobicContact CD2-CB 3.5Å; F600-D622 WeakPolarHBondContact CD2-OD2 3.48Å; F600-D622 HydrophobicContact CE1-CB 4.26Å; F600-D622 HydrophobicContact CE2-CB 3.81Å; F600-D622 HydrophobicContact CG-CB 3.6Å; F600-D622 HydrophobicContact CZ-CB 4.18Å; M620-D622 WeakPolarHBondContact CB-OD1 3.36Å; M620-D622 PolarHBondContact O-N 2.89Å; D622-N624 WeakPolarHBondContact OD1-CB 3.38Å; D622-N624 PolarHBondContact OD1-N 2.82Å; D622-N624 VanDerWaalsContact OD1-N 3.11Å; D622-N624 PolarHBondContact OD2-ND2 2.9Å |
| 623 | G | 79.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 89.1 | 7.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | M620 V645 G646 C648 | M620-G623 PolarHBondContact O-N 2.89Å; G623-V645 WeakPolarHBondContact O-CG2 3.15Å; G623-V645 PolarHBondContact O-N 3.33Å; G623-G646 WeakPolarHBondContact CA-O 3.39Å; G623-G646 PolarHBondContact O-N 2.96Å; G623-G646 VanDerWaalsContact O-N 3.11Å; G623-C648 WeakPolarHBondContact CA-O 3.36Å; G623-C648 PolarHBondContact N-O 2.88Å |
| 624 | N | 83.8 | Confident | 87.2 | Confident | 42 Ų | 42 | 32.6 Ų | 32.6 | 23% | 0.225 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 141.6 | 170.3 | -74.9 | -46.8 | 0 | 0 | 0 | 111.9 | M620 D622 S644 | M620-N624 HydrophobicContact CB-CB 4.17Å; M620-N624 WeakPolarHBondContact CB-O 3.33Å; M620-N624 HydrophobicContact CG-CB 4.22Å; M620-N624 WeakPolarHBondContact CG-O 3.24Å; M620-N624 PolarHBondContact N-O 2.69Å; D622-N624 WeakPolarHBondContact OD1-CB 3.38Å; D622-N624 PolarHBondContact OD1-N 2.82Å; D622-N624 VanDerWaalsContact OD1-N 3.11Å; D622-N624 PolarHBondContact OD2-ND2 2.9Å; N624-S644 WeakPolarHBondContact OD1-CA 3.32Å |
| 625 | L | 87.3 | Confident | 87 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 114.9 | 169.4 | -177.5 | 66.1 | 0 | 0 | 0 | 108.5 | F617 M627 S642 V643 V645 V650 L652 V679 F696 | F617-L625 HydrophobicContact CB-CD1 4.25Å; F617-L625 HydrophobicContact CD1-CD2 4.29Å; L625-M627 HydrophobicContact CD2-CG 4.5Å; L625-M627 HydrophobicContact CD2-SD 4.44Å; L625-M627 HydrophobicContact CG-CG 4.28Å; L625-S642 CarbonylContact O-C 3.52Å; L625-S642 WeakPolarHBondContact O-CA 3.45Å; L625-V643 PolarHBondContact N-O 2.96Å; L625-V643 PolarHBondContact O-N 2.77Å; L625-V645 HydrophobicContact CB-CG1 3.98Å; L625-V645 HydrophobicContact CB-CG2 4.07Å; L625-V645 HydrophobicContact CD2-CG1 4.34Å; L625-V650 HydrophobicContact CD1-CG1 4.37Å; L625-L652 HydrophobicContact CD1-CD1 3.99Å; L625-L652 HydrophobicContact CD1-CD2 3.88Å; L625-L652 HydrophobicContact CD1-CG 4.44Å; L625-V679 HydrophobicContact CD2-CG1 4.47Å; L625-V679 HydrophobicContact CD2-CG2 4.1Å; L625-F696 HydrophobicContact CD2-CE1 3.92Å; L625-F696 HydrophobicContact CD2-CZ 4.33Å |
| 626 | I | 89.7 | Confident | 86.9 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 136.2 | 174.3 | -54.8 | 175 | 0 | 0 | 0 | 108.4 | L596 F617 V618 M620 Y628 R640 W641 | L596-I626 HydrophobicContact CB-CD1 4.37Å; L596-I626 HydrophobicContact CD2-CD1 4.26Å; F617-I626 CarbonylContact C-O 3.56Å; V618-I626 HydrophobicContact CB-CB 4.31Å; V618-I626 PolarHBondContact N-O 3.16Å; V618-I626 PolarHBondContact O-N 2.81Å; M620-I626 HydrophobicContact CE-CD1 4.21Å; M620-I626 HydrophobicContact CG-CD1 3.9Å; M620-I626 HydrophobicContact CG-CG1 4.04Å; M620-I626 HydrophobicContact SD-CD1 3.84Å; M620-I626 HydrophobicContact SD-CG1 4.43Å; I626-Y628 HydrophobicContact CG2-CD2 4.25Å; I626-Y628 HydrophobicContact CG2-CE2 3.5Å; I626-R640 HydrophobicContact CG2-CG 4.13Å; I626-W641 CarbonylContact C-O 3.46Å; I626-W641 WeakPolarHBondContact CA-O 3.47Å |
| 627 | M | 89 | Confident | 86.7 | Confident | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 146 | -179 | -50.1 | -172.5 | -39.5 | 0 | 0 | 110.3 | L616 F617 L625 R640 W641 L694 F696 | L616-M627 CarbonylContact O-C 3.59Å; L616-M627 VanDerWaalsContact O-CA 3.25Å; L616-M627 WeakPolarHBondContact O-CA 3.47Å; F617-M627 HydrophobicContact CD1-CG 3.75Å; F617-M627 HydrophobicContact CD1-SD 3.75Å; F617-M627 HydrophobicContact CE1-CG 4.02Å; F617-M627 HydrophobicContact CE1-SD 3.46Å; F617-M627 WeakPolarHBondContact CE1-SD 3.24Å; L625-M627 HydrophobicContact CD2-CG 4.5Å; L625-M627 HydrophobicContact CD2-SD 4.44Å; L625-M627 HydrophobicContact CG-CG 4.28Å; M627-R640 WeakPolarHBondContact O-CA 3.47Å; M627-W641 HydrophobicContact CE-CB 4.34Å; M627-W641 HydrophobicContact CE-CD2 3.68Å; M627-W641 HydrophobicContact CE-CE3 3.21Å; M627-W641 HydrophobicContact CE-CG 4.21Å; M627-W641 HydrophobicContact CE-CH2 4.45Å; M627-W641 HydrophobicContact CE-CZ3 3.66Å; M627-W641 PolarHBondContact N-O 2.47Å; M627-W641 PolarHBondContact O-N 3.43Å; M627-L694 HydrophobicContact CE-CD1 3.55Å; M627-L694 HydrophobicContact SD-CD1 4.09Å; M627-F696 HydrophobicContact CE-CE2 4.46Å; M627-F696 HydrophobicContact CE-CZ 4.31Å; M627-F696 HydrophobicContact SD-CE2 4.37Å; M627-F696 HydrophobicContact SD-CZ 3.7Å |
| 628 | Y | 90.4 | Very high | 86.4 | Confident | 5 Ų | 5 | 41 Ų | 41 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 142.6 | 172.7 | -62.6 | -93.2 | 0 | 0 | 0 | 109.9 | Q594 L596 N615 L616 I626 L637 L638 R640 | Q594-Y628 HydrophobicContact CG-CE1 4.3Å; L596-Y628 HydrophobicContact CD2-CE2 4.12Å; N615-Y628 CarbonylContact C-O 3.42Å; N615-Y628 VanDerWaalsContact CA-O 3.31Å; N615-Y628 WeakPolarHBondContact CA-O 3.46Å; L616-Y628 HydrophobicContact CD2-CD2 4.22Å; L616-Y628 PolarHBondContact N-O 2.84Å; L616-Y628 PolarHBondContact O-N 2.67Å; I626-Y628 HydrophobicContact CG2-CD2 4.25Å; I626-Y628 HydrophobicContact CG2-CE2 3.5Å; Y628-L637 HydrophobicContact CD1-CB 3.81Å; Y628-L637 HydrophobicContact CE1-CB 4.48Å; Y628-L637 HydrophobicContact CG-CB 4.06Å; Y628-L637 HydrophobicContact CG-CD1 4.44Å; Y628-L638 WeakPolarHBondContact CA-O 3.36Å; Y628-R640 HydrophobicContact CD1-CB 3.97Å; Y628-R640 HydrophobicContact CD1-CG 4.42Å; Y628-R640 HydrophobicContact CE1-CB 3.56Å; Y628-R640 HydrophobicContact CE1-CG 3.7Å |
| 629 | D | 87.2 | Confident | 85.7 | Confident | 58 Ų | 58 | 46.7 Ų | 46.7 | 31% | 0.31 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 133.9 | 164.5 | -59.8 | -12.7 | 0 | 0 | 0 | 107.6 | N615 L638 N639 | N615-D629 PolarHBondContact OD1-OD1 3Å; D629-L638 HydrophobicContact CB-CB 4.33Å; D629-L638 PolarHBondContact N-O 3.09Å; D629-L638 PolarHBondContact O-N 2.87Å; D629-N639 HydrophobicContact CB-CB 4.4Å; D629-N639 WeakPolarHBondContact OD2-CB 3.36Å; D629-N639 PolarHBondContact OD2-ND2 2.71Å |
| 630 | V | 88.1 | Confident | 85.3 | Confident | 16 Ų | 16 | 52 Ų | 52 | 10% | 0.097 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 120.7 | -177.6 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | L607 L614 L616 E632 L637 | L607-V630 HydrophobicContact CD1-CG2 3.88Å; L614-V630 HydrophobicContact CB-CB 4.22Å; L614-V630 HydrophobicContact CD2-CB 3.9Å; L614-V630 HydrophobicContact CD2-CG1 3.87Å; L614-V630 HydrophobicContact CG-CB 3.86Å; L614-V630 HydrophobicContact CG-CG1 4.38Å; L614-V630 HydrophobicContact CG-CG2 4.28Å; L614-V630 PolarHBondContact O-N 2.89Å; L616-V630 HydrophobicContact CB-CG2 3.76Å; V630-E632 PolarHBondContact O-N 2.76Å; V630-L637 HydrophobicContact CG2-CD2 3.83Å |
| 631 | D | 86.3 | Confident | 84.7 | Confident | 47 Ų | 47 | 55.8 Ų | 55.8 | 25% | 0.251 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 106.8 | 168.9 | 179.3 | 8.9 | 0 | 0 | 0 | 109.8 | R633 N634 C635 D636 L638 | D631-R633 PolarHBondContact O-N 2.84Å; D631-R633 PolarHBondContact OD1-N 2.83Å; D631-R633 VanDerWaalsContact OD1-N 3.09Å; D631-N634 PolarHBondContact O-N 2.64Å; D631-N634 PolarHBondContact OD2-ND2 2.99Å; D631-C635 VanDerWaalsContact O-CA 3.24Å; D631-C635 WeakPolarHBondContact O-CA 3.45Å; D631-C635 PolarHBondContact O-N 3.21Å; D631-D636 PolarHBondContact N-O 2.82Å; D631-L638 HydrophobicContact CB-CD1 4.1Å |
| 632 | E | 81.3 | Confident | 84.3 | Confident | 101 Ų | 101 | 57.5 Ų | 57.5 | 47% | 0.472 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -29 | -178.5 | -70.8 | 178.1 | -151.9 | 0 | 0 | 113.6 | R609 L614 V630 | R609-E632 IonicContact CZ-OE1 2.8Å; R609-E632 IonicContact NE-OE1 2.69Å; R609-E632 IonicContact NH2-OE1 3.17Å; R609-E632 PolarHBondContact NH2-OE1 3.15Å; R609-E632 IonicContact NH2-OE2 2.66Å; R609-E632 PolarHBondContact NH2-OE2 3.41Å; L614-E632 HydrophobicContact CB-CG 4.41Å; L614-E632 HydrophobicContact CD2-CG 3.61Å; V630-E632 PolarHBondContact O-N 2.76Å |
| 633 | R | 82 | Confident | 83.8 | Confident | 231 Ų | 231 | 57.5 Ų | 57.5 | 87% | 0.872 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -38.6 | -175.3 | -66.7 | -175.6 | -179.1 | -175.3 | 1.9 | 112.8 | D631 | D631-R633 PolarHBondContact O-N 2.84Å; D631-R633 PolarHBondContact OD1-N 2.83Å; D631-R633 VanDerWaalsContact OD1-N 3.09Å |
| 634 | N | 80.4 | Confident | 83.6 | Confident | 112 Ų | 112 | 61.2 Ų | 61.2 | 60% | 0.599 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -5.4 | -174.8 | -61 | -50 | 0 | 0 | 0 | 112.7 | D631 D636 | D631-N634 PolarHBondContact O-N 2.64Å; D631-N634 PolarHBondContact OD2-ND2 2.99Å; N634-D636 HydrophobicContact CB-CB 4.39Å; N634-D636 PolarHBondContact O-N 3.28Å |
| 635 | C | 81.2 | Confident | 83.1 | Confident | 25 Ų | 25 | 59.5 Ų | 59.5 | 17% | 0.169 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 36.7 | -171 | -57.6 | 0 | 0 | 0 | 0 | 112.7 | L591 D631 | L591-C635 HydrophobicContact CB-CB 4.42Å; L591-C635 HydrophobicContact CD1-CB 4.37Å; D631-C635 VanDerWaalsContact O-CA 3.24Å; D631-C635 WeakPolarHBondContact O-CA 3.45Å; D631-C635 PolarHBondContact O-N 3.21Å |
| 636 | D | 86.1 | Confident | 82.4 | Confident | 59 Ų | 59 | 59.7 Ų | 59.7 | 32% | 0.316 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 148.2 | 178.7 | -107.4 | -18 | 0 | 0 | 0 | 111.2 | K592 D631 N634 | K592-D636 VanDerWaalsContact CE-OD1 3.24Å; K592-D636 WeakPolarHBondContact CE-OD1 3.29Å; K592-D636 IonicContact NZ-OD1 2.79Å; K592-D636 PolarHBondContact NZ-OD1 3.39Å; D631-D636 PolarHBondContact N-O 2.82Å; N634-D636 HydrophobicContact CB-CB 4.39Å; N634-D636 PolarHBondContact O-N 3.28Å |
| 637 | L | 88.1 | Confident | 81.5 | Confident | 18 Ų | 18 | 67.5 Ų | 67.5 | 9% | 0.094 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 114.2 | 177.5 | -62.9 | 179.4 | 0 | 0 | 0 | 109.4 | L582 Q594 L616 Y628 V630 | L582-L637 HydrophobicContact CD1-CD2 4.12Å; L582-L637 HydrophobicContact CD1-CG 4.39Å; Q594-L637 HydrophobicContact CB-CD1 3.69Å; Q594-L637 HydrophobicContact CG-CD1 3.89Å; L616-L637 HydrophobicContact CB-CD2 4.25Å; L616-L637 HydrophobicContact CD2-CD1 3.78Å; L616-L637 HydrophobicContact CD2-CD2 3.69Å; L616-L637 HydrophobicContact CD2-CG 4.42Å; Y628-L637 HydrophobicContact CD1-CB 3.81Å; Y628-L637 HydrophobicContact CE1-CB 4.48Å; Y628-L637 HydrophobicContact CG-CB 4.06Å; Y628-L637 HydrophobicContact CG-CD1 4.44Å; V630-L637 HydrophobicContact CG2-CD2 3.83Å |
| 638 | L | 86.6 | Confident | 81.2 | Confident | 83 Ų | 83 | 70.1 Ų | 70.1 | 44% | 0.435 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 166.3 | -175.8 | -57.5 | 175.7 | 0 | 0 | 0 | 110.9 | Y628 D629 D631 R640 | Y628-L638 WeakPolarHBondContact CA-O 3.36Å; D629-L638 HydrophobicContact CB-CB 4.33Å; D629-L638 PolarHBondContact N-O 3.09Å; D629-L638 PolarHBondContact O-N 2.87Å; D631-L638 HydrophobicContact CB-CD1 4.1Å; L638-R640 PolarHBondContact O-N 3.38Å |
| 639 | N | 79.4 | Confident | 81 | Confident | 119 Ų | 119 | 73.3 Ų | 73.3 | 64% | 0.636 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 46.6 | 53 | 168.1 | -60.3 | -28.2 | 0 | 0 | 0 | 116 | D629 W641 | D629-N639 HydrophobicContact CB-CB 4.4Å; D629-N639 WeakPolarHBondContact OD2-CB 3.36Å; D629-N639 PolarHBondContact OD2-ND2 2.71Å; N639-W641 PolarHBondContact O-N 3.31Å |
| 640 | R | 83.2 | Confident | 81 | Confident | 113 Ų | 113 | 70.6 Ų | 70.6 | 43% | 0.426 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.7 | 126.3 | 176.1 | -178 | -178.2 | 169.9 | -166.9 | 0.3 | 111.6 | L596 D597 I626 M627 Y628 L638 | L596-R640 PolarHBondContact O-NH2 2.99Å; D597-R640 IonicContact OD2-NH1 3.54Å; D597-R640 PolarHBondContact OD2-NH1 2.78Å; I626-R640 HydrophobicContact CG2-CG 4.13Å; M627-R640 WeakPolarHBondContact O-CA 3.47Å; Y628-R640 HydrophobicContact CD1-CB 3.97Å; Y628-R640 HydrophobicContact CD1-CG 4.42Å; Y628-R640 HydrophobicContact CE1-CB 3.56Å; Y628-R640 HydrophobicContact CE1-CG 3.7Å; L638-R640 PolarHBondContact O-N 3.38Å |
| 641 | W | 78.1 | Confident | 81 | Confident | 78 Ų | 78 | 72.2 Ų | 72.2 | 30% | 0.295 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 134.9 | 172.8 | -175.8 | 6.1 | 0 | 0 | 0 | 109.6 | I626 M627 N639 V643 F696 | I626-W641 CarbonylContact C-O 3.46Å; I626-W641 WeakPolarHBondContact CA-O 3.47Å; M627-W641 HydrophobicContact CE-CB 4.34Å; M627-W641 HydrophobicContact CE-CD2 3.68Å; M627-W641 HydrophobicContact CE-CE3 3.21Å; M627-W641 HydrophobicContact CE-CG 4.21Å; M627-W641 HydrophobicContact CE-CH2 4.45Å; M627-W641 HydrophobicContact CE-CZ3 3.66Å; M627-W641 PolarHBondContact N-O 2.47Å; M627-W641 PolarHBondContact O-N 3.43Å; N639-W641 PolarHBondContact O-N 3.31Å; W641-V643 HydrophobicContact CD2-CG2 4.44Å; W641-V643 HydrophobicContact CZ2-CG2 3.93Å; W641-V643 VanDerWaalsContact NE1-CG2 3.27Å; W641-F696 HydrophobicContact CH2-CE2 4.47Å |
| 642 | S | 79.4 | Confident | 81.1 | Confident | 55 Ų | 55 | 70.9 Ų | 70.9 | 39% | 0.385 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 139.1 | 171.1 | -167.6 | 0 | 0 | 0 | 0 | 110.6 | L625 | L625-S642 CarbonylContact O-C 3.52Å; L625-S642 WeakPolarHBondContact O-CA 3.45Å |
| 643 | V | 73.2 | Confident | 81.1 | Confident | 36 Ų | 36 | 69.1 Ų | 69.1 | 22% | 0.218 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 132.4 | 174.9 | 178.7 | 0 | 0 | 0 | 0 | 109 | L625 W641 V645 F696 | L625-V643 PolarHBondContact N-O 2.96Å; L625-V643 PolarHBondContact O-N 2.77Å; W641-V643 HydrophobicContact CD2-CG2 4.44Å; W641-V643 HydrophobicContact CZ2-CG2 3.93Å; W641-V643 VanDerWaalsContact NE1-CG2 3.27Å; V643-V645 HydrophobicContact CG1-CG1 4.27Å; V643-V645 PolarHBondContact O-N 2.82Å; V643-F696 HydrophobicContact CG2-CZ 4.37Å |
| 644 | S | 75.3 | Confident | 80.8 | Confident | 78 Ų | 78 | 60.4 Ų | 60.4 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 110.2 | 171.2 | -167.2 | 0 | 0 | 0 | 0 | 108.3 | N624 G646 | N624-S644 WeakPolarHBondContact OD1-CA 3.32Å; S644-G646 PolarHBondContact OG-O 2.97Å |
| 645 | V | 73 | Confident | 80.3 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | trans | -97.9 | -6.7 | 176.6 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | G623 L625 V643 V650 V679 R683 F696 | G623-V645 WeakPolarHBondContact O-CG2 3.15Å; G623-V645 PolarHBondContact O-N 3.33Å; L625-V645 HydrophobicContact CB-CG1 3.98Å; L625-V645 HydrophobicContact CB-CG2 4.07Å; L625-V645 HydrophobicContact CD2-CG1 4.34Å; V643-V645 HydrophobicContact CG1-CG1 4.27Å; V643-V645 PolarHBondContact O-N 2.82Å; V645-V650 HydrophobicContact CG2-CB 4.45Å; V645-V650 HydrophobicContact CG2-CG1 4.1Å; V645-V650 HydrophobicContact CG2-CG2 3.45Å; V645-V650 VanDerWaalsContact CG2-CG2 3.45Å; V645-V679 HydrophobicContact CB-CG1 4.05Å; V645-V679 HydrophobicContact CG1-CG1 4.16Å; V645-V679 HydrophobicContact CG2-CG1 3.79Å; V645-R683 VanDerWaalsContact O-CB 3.24Å; V645-R683 WeakPolarHBondContact O-CB 3.42Å; V645-F696 HydrophobicContact CG1-CE1 4.31Å | ||
| 646 | G | 71.7 | Confident | 79.4 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | trans | 176.1 | -168 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G623 S644 D682 | G623-G646 WeakPolarHBondContact CA-O 3.39Å; G623-G646 PolarHBondContact O-N 2.96Å; G623-G646 VanDerWaalsContact O-N 3.11Å; S644-G646 PolarHBondContact OG-O 2.97Å; G646-D682 VanDerWaalsContact C-OD1 3.23Å; G646-D682 WeakPolarHBondContact CA-OD1 3.41Å | ||
| 647 | R | 72.5 | Confident | 78 | Confident | 167 Ų | 167 | 61.3 Ų | 61.3 | 63% | 0.63 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -114.3 | -13.5 | 167.3 | -51.7 | -177.9 | -151 | 176.4 | 8.5 | 112.5 | D682 | R647-D682 VanDerWaalsContact N-CG 3.27Å; R647-D682 PolarHBondContact N-OD1 2.85Å; R647-D682 PolarHBondContact N-OD2 2.83Å; R647-D682 VanDerWaalsContact N-OD2 3.11Å |
| 648 | C | 81.6 | Confident | 76.2 | Confident | 61 Ų | 61 | 65.3 Ų | 65.3 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -92.8 | 156.6 | 178.2 | -73.3 | 0 | 0 | 0 | 0 | 111.5 | G623 V650 S681 D682 | G623-C648 WeakPolarHBondContact CA-O 3.36Å; G623-C648 PolarHBondContact N-O 2.88Å; C648-V650 PolarHBondContact O-N 3.41Å; C648-S681 PolarHBondContact O-OG 2.88Å; C648-D682 HydrophobicContact CB-CB 4.17Å; C648-D682 PolarHBondContact N-OD1 2.91Å |
| 649 | P | 86.6 | Confident | 74.1 | Confident | 71 Ų | 71 | 63.1 Ų | 63.1 | 46% | 0.461 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -47.8 | 129 | 173.3 | -32.2 | 38.3 | 0 | 0 | 0 | 113.2 | R603 | R603-P649 HydrophobicContact CB-CB 4.39Å; R603-P649 HydrophobicContact CG-CB 4.11Å |
| 650 | V | 87.7 | Confident | 72 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 129.9 | -177.5 | -176 | 0 | 0 | 0 | 0 | 110.8 | S604 M620 L625 V645 C648 L652 V679 C680 | S604-V650 WeakPolarHBondContact CB-O 3.41Å; S604-V650 PolarHBondContact OG-O 2.64Å; M620-V650 PolarHBondContact O-N 3.46Å; M620-V650 VanDerWaalsContact O-N 3.15Å; L625-V650 HydrophobicContact CD1-CG1 4.37Å; V645-V650 HydrophobicContact CG2-CB 4.45Å; V645-V650 HydrophobicContact CG2-CG1 4.1Å; V645-V650 HydrophobicContact CG2-CG2 3.45Å; V645-V650 VanDerWaalsContact CG2-CG2 3.45Å; C648-V650 PolarHBondContact O-N 3.41Å; V650-L652 HydrophobicContact CG1-CD2 4.19Å; V650-L652 HydrophobicContact CG1-CG 4.42Å; V650-V679 HydrophobicContact CG1-CG1 3.59Å; V650-C680 CarbonylContact C-O 3.45Å; V650-C680 WeakPolarHBondContact CA-O 3.3Å |
| 651 | S | 87.6 | Confident | 69.6 | Low | 50 Ų | 50 | 61.1 Ų | 61.1 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 142.4 | 170.7 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | C680 | S651-C680 PolarHBondContact N-O 2.8Å; S651-C680 PolarHBondContact O-N 3.16Å |
| 652 | L | 88.1 | Confident | 67.4 | Low | 18 Ų | 18 | 62.3 Ų | 62.3 | 9% | 0.094 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 134.2 | -172.7 | -64.1 | 169.3 | 0 | 0 | 0 | 110.5 | S604 L606 F617 L625 V650 I677 M678 V679 | S604-L652 WeakPolarHBondContact OG-CG 3.25Å; L606-L652 HydrophobicContact CB-CB 4.13Å; L606-L652 HydrophobicContact CB-CD1 3.98Å; L606-L652 HydrophobicContact CD2-CB 4.18Å; F617-L652 HydrophobicContact CB-CD1 3.7Å; L625-L652 HydrophobicContact CD1-CD1 3.99Å; L625-L652 HydrophobicContact CD1-CD2 3.88Å; L625-L652 HydrophobicContact CD1-CG 4.44Å; V650-L652 HydrophobicContact CG1-CD2 4.19Å; V650-L652 HydrophobicContact CG1-CG 4.42Å; L652-I677 HydrophobicContact CD2-CG2 4.26Å; L652-M678 WeakPolarHBondContact CA-O 3.48Å; L652-V679 HydrophobicContact CD2-CB 4.33Å; L652-V679 HydrophobicContact CD2-CG1 4.2Å; L652-V679 HydrophobicContact CD2-CG2 3.86Å |
| 653 | K | 80.6 | Confident | 65.1 | Low | 65 Ų | 65 | 63.4 Ų | 63.4 | 28% | 0.283 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 138 | 176.3 | -77.5 | -71.9 | -168.9 | 170.7 | 0 | 111.1 | I677 M678 I707 | K653-I677 CarbonylContact O-C 3.41Å; K653-I677 WeakPolarHBondContact O-CA 3.42Å; K653-M678 PolarHBondContact N-O 2.86Å; K653-M678 PolarHBondContact O-N 3.17Å; K653-I707 HydrophobicContact CG-CG2 4.47Å |
| 654 | V | 75.9 | Confident | 63.1 | Low | 47 Ų | 47 | 70.5 Ų | 70.5 | 29% | 0.285 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 132.1 | 173.7 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | L606 | L606-V654 HydrophobicContact CD1-CG2 3.69Å; L606-V654 HydrophobicContact CD2-CG2 3.63Å; L606-V654 HydrophobicContact CG-CG2 4.2Å |
| 655 | F | 69.6 | Low | 61 | Low | 16 Ų | 16 | 70.2 Ų | 70.2 | 7% | 0.07 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129.8 | 168.9 | -90.7 | -99.2 | 0 | 0 | 0 | 109 | Y676 M678 I707 P709 C719 L732 | F655-Y676 PolarHBondContact N-O 2.95Å; F655-Y676 PolarHBondContact O-N 2.98Å; F655-Y676 VanDerWaalsContact O-O 3.04Å; F655-M678 HydrophobicContact CD2-CB 3.79Å; F655-M678 HydrophobicContact CD2-SD 4.28Å; F655-M678 HydrophobicContact CE2-CB 3.93Å; F655-M678 HydrophobicContact CE2-CG 4.38Å; F655-M678 HydrophobicContact CE2-SD 3.87Å; F655-M678 HydrophobicContact CZ-SD 4.42Å; F655-I707 HydrophobicContact CE2-CD1 4.24Å; F655-I707 HydrophobicContact CE2-CG1 4.27Å; F655-I707 HydrophobicContact CE2-CG2 4.34Å; F655-I707 HydrophobicContact CZ-CD1 3.95Å; F655-I707 HydrophobicContact CZ-CG1 4Å; F655-P709 HydrophobicContact CD1-CB 3.65Å; F655-P709 HydrophobicContact CD2-CB 4.48Å; F655-P709 VanDerWaalsContact CE1-CA 3.43Å; F655-P709 HydrophobicContact CE1-CB 3.44Å; F655-P709 VanDerWaalsContact CE1-CB 3.44Å; F655-P709 HydrophobicContact CE1-CG 4.48Å; F655-P709 HydrophobicContact CE2-CB 4.31Å; F655-P709 HydrophobicContact CG-CB 4.18Å; F655-P709 HydrophobicContact CZ-CB 3.79Å; F655-P709 HydrophobicContact CZ-CG 4.44Å; F655-C719 HydrophobicContact CE1-CB 3.73Å; F655-C719 HydrophobicContact CZ-CB 3.7Å; F655-L732 HydrophobicContact CD1-CD1 3.79Å; F655-L732 HydrophobicContact CE1-CD1 3.55Å; F655-L732 HydrophobicContact CZ-CD1 4.09Å |
| 656 | R | 63.9 | Low | 58.9 | Low | 189 Ų | 189 | 72.5 Ų | 72.5 | 71% | 0.713 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 119.4 | 170.5 | -71.2 | -175.1 | 179.9 | 161.2 | 3.5 | 108.4 | ||
| 657 | S | 56.3 | Low | 56.7 | Low | 10 Ų | 10 | 76.7 Ų | 76.7 | 7% | 0.07 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135 | 172.9 | 173.2 | 0 | 0 | 0 | 0 | 109.8 | I659 A674 Q717 | S657-I659 PolarHBondContact O-N 2.78Å; S657-A674 PolarHBondContact N-O 3.41Å; S657-A674 VanDerWaalsContact N-O 3.08Å; S657-A674 PolarHBondContact O-N 2.9Å; S657-Q717 PolarHBondContact OG-NE2 3.45Å |
| 658 | K | 49.2 | Very low | 54.5 | Low | 102 Ų | 102 | 73.4 Ų | 73.4 | 44% | 0.443 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 92.5 | 162.1 | -66.7 | 179 | -169.2 | 164.2 | 0 | 106.5 | I660 E716 | K658-I660 PolarHBondContact O-N 3.39Å; K658-E716 IonicContact NZ-OE1 2.78Å; K658-E716 PolarHBondContact NZ-OE1 2.84Å |
| 659 | I | 43.1 | Very low | 51.9 | Low | 38 Ų | 38 | 73.4 Ų | 73.4 | 20% | 0.195 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 116.2 | 170.4 | -54.6 | 174 | 0 | 0 | 0 | 106.8 | S657 E661 C671 K672 A674 Y676 | S657-I659 PolarHBondContact O-N 2.78Å; I659-E661 HydrophobicContact CG2-CG 3.92Å; I659-E661 PolarHBondContact O-N 2.87Å; I659-C671 WeakPolarHBondContact O-CA 3.5Å; I659-K672 PolarHBondContact N-O 2.84Å; I659-K672 PolarHBondContact O-N 3.27Å; I659-A674 HydrophobicContact CD1-CB 3.44Å; I659-A674 VanDerWaalsContact CD1-CB 3.44Å; I659-A674 HydrophobicContact CG1-CB 3.99Å; I659-Y676 HydrophobicContact CD1-CE2 3.85Å; I659-Y676 WeakPolarHBondContact CD1-OH 3.46Å; I659-Y676 HydrophobicContact CG1-CE2 4.06Å |
| 660 | I | 34.5 | Very low | 49.1 | Very low | 93 Ų | 93 | 73.5 Ų | 73.5 | 48% | 0.477 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 93.9 | 161.4 | -62.3 | 168 | 0 | 0 | 0 | 105.5 | K658 T662 | K658-I660 PolarHBondContact O-N 3.39Å; I660-T662 VanDerWaalsContact C-N 3.29Å; I660-T662 PolarHBondContact O-N 3.21Å |
| 661 | E | 34.2 | Very low | 46.4 | Very low | 97 Ų | 97 | 77.6 Ų | 77.6 | 45% | 0.453 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 94.1 | 166.1 | -79.5 | -175.2 | 164.4 | 0 | 0 | 107.3 | I659 V663 | I659-E661 HydrophobicContact CG2-CG 3.92Å; I659-E661 PolarHBondContact O-N 2.87Å; E661-V663 VanDerWaalsContact C-N 3.27Å; E661-V663 PolarHBondContact O-N 3.2Å; E661-V663 VanDerWaalsContact O-N 3.08Å |
| 662 | T | 30.6 | Very low | 44.1 | Very low | 102 Ų | 102 | 82 Ų | 82 | 63% | 0.626 | 47% | 0.467 | S | S | * | . | trans | -73.1 | 90.8 | 159.3 | -4.2 | 0 | 0 | 0 | 0 | 106.6 | I660 Q664 | I660-T662 VanDerWaalsContact C-N 3.29Å; I660-T662 PolarHBondContact O-N 3.21Å; T662-Q664 PolarHBondContact O-N 2.84Å | ||
| 663 | V | 31.5 | Very low | 42.3 | Very low | 78 Ų | 78 | 86.6 Ų | 86.6 | 47% | 0.473 | 49% | 0.492 | S | S | . | . | trans | -61.7 | 108.6 | 167.5 | 179.8 | 0 | 0 | 0 | 0 | 106.4 | E661 G665 S666 | E661-V663 VanDerWaalsContact C-N 3.27Å; E661-V663 PolarHBondContact O-N 3.2Å; E661-V663 VanDerWaalsContact O-N 3.08Å; V663-G665 PolarHBondContact O-N 3.01Å; V663-S666 PolarHBondContact O-N 2.96Å; V663-S666 VanDerWaalsContact O-N 3.12Å | ||
| 664 | Q | 30.8 | Very low | 41.1 | Very low | 185 Ų | 185 | 84.9 Ų | 84.9 | 86% | 0.864 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 108.1 | 174.8 | -73.9 | -173.6 | -11.6 | 0 | 0 | 108.5 | T662 | T662-Q664 PolarHBondContact O-N 2.84Š|
| 665 | G | 31.6 | Very low | 40.9 | Very low | 73 Ų | 73 | 85.3 Ų | 85.3 | 75% | 0.753 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 116.9 | -7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | V663 | V663-G665 PolarHBondContact O-N 3.01Š|
| 666 | S | 28.8 | Very low | 41.3 | Very low | 54 Ų | 54 | 86.1 Ų | 86.1 | 38% | 0.378 | 49% | 0.493 | S | S | . | . | trans | -130.1 | 116.9 | 167.6 | 63.6 | 0 | 0 | 0 | 0 | 109.2 | V663 V668 | V663-S666 PolarHBondContact O-N 2.96Å; V663-S666 VanDerWaalsContact O-N 3.12Å; S666-V668 PolarHBondContact O-N 3.49Å | ||
| 667 | G | 26.2 | Very low | 42.3 | Very low | 93 Ų | 93 | 77.1 Ų | 77.1 | 96% | 0.959 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -65.4 | 28.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 668 | V | 25.9 | Very low | 43.6 | Very low | 97 Ų | 97 | 76.6 Ų | 76.6 | 59% | 0.588 | 46% | 0.456 | S | S | * | . | trans | -115.1 | 99 | 177.7 | -175.1 | 0 | 0 | 0 | 0 | 108.1 | S666 T670 | S666-V668 PolarHBondContact O-N 3.49Å; V668-T670 HydrophobicContact CG1-CG2 4.28Å; V668-T670 PolarHBondContact O-N 2.82Å | ||
| 669 | S | 26.7 | Very low | 45.3 | Very low | 62 Ų | 62 | 71.8 Ų | 71.8 | 43% | 0.434 | 44% | 0.435 | S | S | . | . | trans | -76 | 107.6 | 170.7 | -71 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 670 | T | 27.5 | Very low | 47.2 | Very low | 72 Ų | 72 | 70.2 Ų | 70.2 | 44% | 0.442 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 114.4 | 170.2 | 52.6 | 0 | 0 | 0 | 0 | 109.9 | V668 K672 | V668-T670 HydrophobicContact CG1-CG2 4.28Å; V668-T670 PolarHBondContact O-N 2.82Å; T670-K672 PolarHBondContact O-N 3.13Å |
| 671 | C | 31.3 | Very low | 49.3 | Very low | 88 Ų | 88 | 66.1 Ų | 66.1 | 60% | 0.595 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 104.9 | 175.8 | -20.2 | 0 | 0 | 0 | 0 | 108.9 | I659 | I659-C671 WeakPolarHBondContact O-CA 3.5Å |
| 672 | K | 39.4 | Very low | 51 | Low | 143 Ų | 143 | 63.1 Ų | 63.1 | 62% | 0.622 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 124.4 | 166.2 | -79.8 | -179.1 | 178.5 | 173 | 0 | 108.2 | I659 T670 A674 | I659-K672 PolarHBondContact N-O 2.84Å; I659-K672 PolarHBondContact O-N 3.27Å; T670-K672 PolarHBondContact O-N 3.13Å; K672-A674 PolarHBondContact O-N 2.75Å; K672-A674 VanDerWaalsContact O-N 3.1Å |
| 673 | N | 49.7 | Very low | 52.8 | Low | 115 Ų | 115 | 60.1 Ų | 60.1 | 62% | 0.615 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 104.2 | 170.6 | -79.3 | -14.2 | 0 | 0 | 0 | 108.4 | ||
| 674 | A | 57 | Low | 55 | Low | 28 Ų | 28 | 56.9 Ų | 56.9 | 23% | 0.231 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 132.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | S657 I659 K672 Y676 | S657-A674 PolarHBondContact N-O 3.41Å; S657-A674 VanDerWaalsContact N-O 3.08Å; S657-A674 PolarHBondContact O-N 2.9Å; I659-A674 HydrophobicContact CD1-CB 3.44Å; I659-A674 VanDerWaalsContact CD1-CB 3.44Å; I659-A674 HydrophobicContact CG1-CB 3.99Å; K672-A674 PolarHBondContact O-N 2.75Å; K672-A674 VanDerWaalsContact O-N 3.1Å; A674-Y676 HydrophobicContact CB-CD2 4.35Å; A674-Y676 HydrophobicContact CB-CE2 3.83Å |
| 675 | N | 70.6 | Confident | 57.2 | Low | 56 Ų | 56 | 48.9 Ų | 48.9 | 30% | 0.299 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 124.4 | 169.8 | -67.4 | -29.6 | 0 | 0 | 0 | 108.4 | R609 L610 | R609-N675 PolarHBondContact O-ND2 2.91Å; L610-N675 HydrophobicContact CD2-CB 3.99Å; L610-N675 WeakPolarHBondContact CD2-O 3.44Å |
| 676 | Y | 78.8 | Confident | 59.5 | Low | 33 Ų | 33 | 45.7 Ų | 45.7 | 13% | 0.129 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 143.4 | 169.8 | -71.8 | -84.9 | 0 | 0 | 0 | 108.2 | F655 I659 A674 V686 Y688 V735 | F655-Y676 PolarHBondContact N-O 2.95Å; F655-Y676 PolarHBondContact O-N 2.98Å; F655-Y676 VanDerWaalsContact O-O 3.04Å; I659-Y676 HydrophobicContact CD1-CE2 3.85Å; I659-Y676 WeakPolarHBondContact CD1-OH 3.46Å; I659-Y676 HydrophobicContact CG1-CE2 4.06Å; A674-Y676 HydrophobicContact CB-CD2 4.35Å; A674-Y676 HydrophobicContact CB-CE2 3.83Å; Y676-V686 HydrophobicContact CD1-CG1 3.43Å; Y676-V686 VanDerWaalsContact CD1-CG1 3.43Å; Y676-V686 HydrophobicContact CE1-CG1 4.35Å; Y676-V686 HydrophobicContact CG-CG1 4.09Å; Y676-Y688 VanDerWaalsContact CD1-CB 3.47Å; Y676-Y688 HydrophobicContact CD1-CD1 4.21Å; Y676-Y688 HydrophobicContact CD1-CG 4.03Å; Y676-Y688 VanDerWaalsContact CE1-CB 3.49Å; Y676-Y688 AromaticContact CE1-CD1 3.99Å; Y676-Y688 HydrophobicContact CE1-CD1 3.99Å; Y676-Y688 HydrophobicContact CE1-CD2 4.26Å; Y676-Y688 AromaticContact CE1-CG 3.67Å; Y676-Y688 HydrophobicContact CE1-CG 3.67Å; Y676-V735 HydrophobicContact CE1-CG2 3.82Å |
| 677 | I | 84.9 | Confident | 62 | Low | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 115.1 | 175.5 | -58.2 | 171.6 | 0 | 0 | 0 | 107.7 | L606 A608 L610 F617 L652 K653 V686 V687 | L606-I677 HydrophobicContact CD2-CB 4.49Å; L606-I677 HydrophobicContact CD2-CD1 4.09Å; L606-I677 HydrophobicContact CD2-CG1 4.13Å; L606-I677 HydrophobicContact CD2-CG2 3.61Å; A608-I677 HydrophobicContact CB-CD1 3.66Å; A608-I677 HydrophobicContact CB-CG1 4.36Å; L610-I677 HydrophobicContact CD1-CD1 3.84Å; L610-I677 HydrophobicContact CD2-CD1 4.15Å; L610-I677 HydrophobicContact CD2-CG1 4.24Å; L610-I677 HydrophobicContact CG-CD1 4.18Å; F617-I677 HydrophobicContact CD2-CD1 3.7Å; F617-I677 HydrophobicContact CE1-CD1 4.18Å; F617-I677 HydrophobicContact CE2-CD1 3.23Å; F617-I677 HydrophobicContact CG-CD1 4.37Å; F617-I677 HydrophobicContact CZ-CD1 3.52Å; L652-I677 HydrophobicContact CD2-CG2 4.26Å; K653-I677 CarbonylContact O-C 3.41Å; K653-I677 WeakPolarHBondContact O-CA 3.42Å; I677-V686 CarbonylContact O-C 3.23Å; I677-V686 WeakPolarHBondContact O-CA 3.42Å; I677-V687 HydrophobicContact CB-CB 4.2Å; I677-V687 PolarHBondContact N-O 2.94Å; I677-V687 PolarHBondContact O-N 3.11Å |
| 678 | M | 83.3 | Confident | 64.4 | Low | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 126.6 | 172.4 | -162.3 | 127.6 | 177.1 | 0 | 0 | 109.6 | L652 K653 F655 V686 V699 I707 | L652-M678 WeakPolarHBondContact CA-O 3.48Å; K653-M678 PolarHBondContact N-O 2.86Å; K653-M678 PolarHBondContact O-N 3.17Å; F655-M678 HydrophobicContact CD2-CB 3.79Å; F655-M678 HydrophobicContact CD2-SD 4.28Å; F655-M678 HydrophobicContact CE2-CB 3.93Å; F655-M678 HydrophobicContact CE2-CG 4.38Å; F655-M678 HydrophobicContact CE2-SD 3.87Å; F655-M678 HydrophobicContact CZ-SD 4.42Å; M678-V686 HydrophobicContact SD-CG2 4.09Å; M678-V699 HydrophobicContact CE-CB 4.34Å; M678-V699 HydrophobicContact CE-CG1 4.14Å; M678-V699 HydrophobicContact CE-CG2 4.09Å; M678-I707 HydrophobicContact CE-CD1 3.41Å; M678-I707 VanDerWaalsContact CE-CD1 3.41Å; M678-I707 HydrophobicContact CG-CG2 4.17Å; M678-I707 HydrophobicContact SD-CD1 3.66Å; M678-I707 HydrophobicContact SD-CG2 4.49Å |
| 679 | V | 84.6 | Confident | 66.7 | Low | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 112.2 | 176.5 | -174 | 0 | 0 | 0 | 0 | 106.9 | L625 V645 V650 L652 Y684 S685 V687 | L625-V679 HydrophobicContact CD2-CG1 4.47Å; L625-V679 HydrophobicContact CD2-CG2 4.1Å; V645-V679 HydrophobicContact CB-CG1 4.05Å; V645-V679 HydrophobicContact CG1-CG1 4.16Å; V645-V679 HydrophobicContact CG2-CG1 3.79Å; V650-V679 HydrophobicContact CG1-CG1 3.59Å; L652-V679 HydrophobicContact CD2-CB 4.33Å; L652-V679 HydrophobicContact CD2-CG1 4.2Å; L652-V679 HydrophobicContact CD2-CG2 3.86Å; V679-Y684 WeakPolarHBondContact O-CA 3.27Å; V679-S685 WeakPolarHBondContact CB-O 3.35Å; V679-S685 PolarHBondContact N-O 3.13Å; V679-S685 PolarHBondContact O-N 2.81Å; V679-V687 HydrophobicContact CG2-CG2 3.66Å |
| 680 | C | 82.9 | Confident | 68.5 | Low | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.034 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 118.4 | 179.7 | -62.7 | 0 | 0 | 0 | 0 | 109.6 | V650 S651 Y684 I707 | V650-C680 CarbonylContact C-O 3.45Å; V650-C680 WeakPolarHBondContact CA-O 3.3Å; S651-C680 PolarHBondContact N-O 2.8Å; S651-C680 PolarHBondContact O-N 3.16Å; C680-Y684 HydrophobicContact CB-CD1 4.13Å; C680-Y684 HydrophobicContact CB-CE1 4Å; C680-I707 WeakPolarHBondContact SG-CG2 3.13Å |
| 681 | S | 78.3 | Confident | 70.1 | Confident | 7 Ų | 7 | 36.9 Ų | 36.9 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -147.1 | -151.2 | 172.4 | -173.6 | 0 | 0 | 0 | 0 | 106.7 | C648 R683 Y684 | C648-S681 PolarHBondContact O-OG 2.88Å; S681-R683 VanDerWaalsContact C-N 3.26Å; S681-Y684 WeakPolarHBondContact O-CE1 3.47Å; S681-Y684 PolarHBondContact O-OH 2.77Å |
| 682 | D | 70.8 | Confident | 71.5 | Confident | 35 Ų | 35 | 37.2 Ų | 37.2 | 19% | 0.187 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -68.7 | -26.3 | 163.6 | 55.5 | -32.4 | 0 | 0 | 0 | 111.9 | G646 R647 C648 | G646-D682 VanDerWaalsContact C-OD1 3.23Å; G646-D682 WeakPolarHBondContact CA-OD1 3.41Å; R647-D682 VanDerWaalsContact N-CG 3.27Å; R647-D682 PolarHBondContact N-OD1 2.85Å; R647-D682 PolarHBondContact N-OD2 2.83Å; R647-D682 VanDerWaalsContact N-OD2 3.11Å; C648-D682 HydrophobicContact CB-CB 4.17Å; C648-D682 PolarHBondContact N-OD1 2.91Å |
| 683 | R | 67.3 | Low | 72.5 | Confident | 39 Ų | 39 | 33.6 Ų | 33.6 | 15% | 0.147 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -110.7 | 125.1 | 166.9 | -37.8 | 177.2 | 178 | 177.7 | -3.2 | 110.3 | Q380 E381 V645 S681 | Q380-R683 VanDerWaalsContact CA-NH2 3.35Å; Q380-R683 PolarHBondContact O-NE 3.49Å; Q380-R683 PolarHBondContact O-NH1 2.89Å; Q380-R683 VanDerWaalsContact O-NH1 3.1Å; Q380-R683 PolarHBondContact O-NH2 2.84Å; E381-R683 IonicContact OE2-NH1 2.76Å; V645-R683 VanDerWaalsContact O-CB 3.24Å; V645-R683 WeakPolarHBondContact O-CB 3.42Å; S681-R683 VanDerWaalsContact C-N 3.26Å |
| 684 | Y | 78.1 | Confident | 73.5 | Confident | 10 Ų | 10 | 29.5 Ų | 29.5 | 4% | 0.039 | 15% | 0.154 | C | C | . | . | trans | -86.4 | 135.3 | 176.8 | -56.2 | -75.4 | 0 | 0 | 0 | 110 | V679 C680 S681 S698 V699 I701 V704 | V679-Y684 WeakPolarHBondContact O-CA 3.27Å; C680-Y684 HydrophobicContact CB-CD1 4.13Å; C680-Y684 HydrophobicContact CB-CE1 4Å; S681-Y684 WeakPolarHBondContact O-CE1 3.47Å; S681-Y684 PolarHBondContact O-OH 2.77Å; Y684-S698 CarbonylContact O-C 3.52Å; Y684-S698 WeakPolarHBondContact O-CA 3.17Å; Y684-V699 PolarHBondContact O-N 2.86Å; Y684-I701 WeakPolarHBondContact CD2-O 3.4Å; Y684-V704 HydrophobicContact CD1-CB 4.03Å; Y684-V704 HydrophobicContact CE1-CB 3.46Å; Y684-V704 VanDerWaalsContact CE1-CB 3.46Å; Y684-V704 HydrophobicContact CE1-CG1 4.18Å; Y684-V704 HydrophobicContact CE1-CG2 4.41Å; Y684-V704 WeakPolarHBondContact CE1-O 3.39Å; Y684-V704 HydrophobicContact CE2-CB 3.97Å; Y684-V704 HydrophobicContact CE2-CG2 4.23Å; Y684-V704 VanDerWaalsContact CZ-CB 3.44Å; Y684-V704 WeakPolarHBondContact OH-CA 3.46Å; Y684-V704 PolarHBondContact OH-N 2.84Å; Y684-V704 PolarHBondContact OH-O 2.81Å | ||
| 685 | S | 77.8 | Confident | 74.2 | Confident | 16 Ų | 16 | 29.9 Ų | 29.9 | 11% | 0.112 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 148.2 | 176.3 | -65.6 | 0 | 0 | 0 | 0 | 110.6 | V679 S697 | V679-S685 WeakPolarHBondContact CB-O 3.35Å; V679-S685 PolarHBondContact N-O 3.13Å; V679-S685 PolarHBondContact O-N 2.81Å; S685-S697 CarbonylContact C-O 3.41Å; S685-S697 WeakPolarHBondContact CA-O 3.43Å |
| 686 | V | 80.5 | Confident | 74.3 | Confident | 7 Ų | 7 | 30 Ų | 30 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 126.4 | 168.9 | 170.8 | 0 | 0 | 0 | 0 | 107.9 | I404 Y676 I677 M678 Y688 S697 V699 | I404-V686 HydrophobicContact CD1-CB 3.67Å; I404-V686 HydrophobicContact CD1-CG1 4.09Å; I404-V686 HydrophobicContact CD1-CG2 3.95Å; Y676-V686 HydrophobicContact CD1-CG1 3.43Å; Y676-V686 VanDerWaalsContact CD1-CG1 3.43Å; Y676-V686 HydrophobicContact CE1-CG1 4.35Å; Y676-V686 HydrophobicContact CG-CG1 4.09Å; I677-V686 CarbonylContact O-C 3.23Å; I677-V686 WeakPolarHBondContact O-CA 3.42Å; M678-V686 HydrophobicContact SD-CG2 4.09Å; V686-Y688 HydrophobicContact CG1-CD1 4.39Å; V686-S697 PolarHBondContact N-O 3.36Å; V686-S697 PolarHBondContact O-N 3.31Å; V686-V699 HydrophobicContact CB-CG2 4.34Å; V686-V699 HydrophobicContact CG2-CG2 3.5Å; V686-V699 VanDerWaalsContact CG2-CG2 3.5Å |
| 687 | V | 80.3 | Confident | 73.9 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130.9 | 173.6 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | L610 F617 I677 V679 L694 L695 F696 | L610-V687 HydrophobicContact CD1-CG1 4.21Å; F617-V687 HydrophobicContact CE1-CG1 4.23Å; I677-V687 HydrophobicContact CB-CB 4.2Å; I677-V687 PolarHBondContact N-O 2.94Å; I677-V687 PolarHBondContact O-N 3.11Å; V679-V687 HydrophobicContact CG2-CG2 3.66Å; V687-L694 HydrophobicContact CG1-CD2 4.31Å; V687-L695 VanDerWaalsContact CA-O 3.29Å; V687-L695 WeakPolarHBondContact CA-O 3.35Å; V687-F696 HydrophobicContact CG2-CD1 3.45Å; V687-F696 VanDerWaalsContact CG2-CD1 3.45Å; V687-F696 HydrophobicContact CG2-CE1 3.32Å; V687-F696 HydrophobicContact CG2-CG 4.17Å; V687-F696 HydrophobicContact CG2-CZ 3.95Å |
| 688 | Y | 77.3 | Confident | 73.3 | Confident | 38 Ų | 38 | 29.8 Ų | 29.8 | 15% | 0.149 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 155.9 | 173.9 | 59.8 | -77 | 0 | 0 | 0 | 110.2 | Y676 V686 N690 L695 S697 V735 | Y676-Y688 VanDerWaalsContact CD1-CB 3.47Å; Y676-Y688 HydrophobicContact CD1-CD1 4.21Å; Y676-Y688 HydrophobicContact CD1-CG 4.03Å; Y676-Y688 VanDerWaalsContact CE1-CB 3.49Å; Y676-Y688 AromaticContact CE1-CD1 3.99Å; Y676-Y688 HydrophobicContact CE1-CD1 3.99Å; Y676-Y688 HydrophobicContact CE1-CD2 4.26Å; Y676-Y688 AromaticContact CE1-CG 3.67Å; Y676-Y688 HydrophobicContact CE1-CG 3.67Å; V686-Y688 HydrophobicContact CG1-CD1 4.39Å; Y688-N690 HydrophobicContact CD2-CB 4.35Å; Y688-N690 HydrophobicContact CE2-CB 4.16Å; Y688-L695 HydrophobicContact CD1-CB 4.39Å; Y688-L695 HydrophobicContact CD2-CB 4.44Å; Y688-L695 HydrophobicContact CE1-CB 3.92Å; Y688-L695 HydrophobicContact CE2-CB 4Å; Y688-L695 HydrophobicContact CE2-CD1 3.65Å; Y688-L695 HydrophobicContact CE2-CG 4.4Å; Y688-L695 PolarHBondContact N-O 2.81Å; Y688-L695 VanDerWaalsContact N-O 3.08Å; Y688-L695 PolarHBondContact O-N 3.18Å; Y688-S697 WeakPolarHBondContact CE1-OG 3.35Å; Y688-S697 PolarHBondContact OH-OG 2.94Å; Y688-V735 HydrophobicContact CE1-CG1 3.98Å |
| 689 | A | 72.8 | Confident | 73 | Confident | 14 Ų | 14 | 29.8 Ų | 29.8 | 12% | 0.116 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 130.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | L610 Q611 K693 L694 | L610-A689 HydrophobicContact CB-CB 3.72Å; Q611-A689 HydrophobicContact CB-CB 4.17Å; Q611-A689 HydrophobicContact CG-CB 3.74Å; Q611-A689 PolarHBondContact NE2-O 2.81Å; A689-K693 WeakPolarHBondContact CA-O 3.39Å; A689-L694 HydrophobicContact CB-CD2 4.3Å |
| 690 | N | 65.6 | Low | 72.3 | Confident | 76 Ų | 76 | 31.7 Ų | 31.7 | 41% | 0.406 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 128 | 163.8 | -170 | 9.5 | 0 | 0 | 0 | 107.8 | Y688 D692 K693 L695 | Y688-N690 HydrophobicContact CD2-CB 4.35Å; Y688-N690 HydrophobicContact CE2-CB 4.16Å; N690-D692 PolarHBondContact O-N 2.88Å; N690-K693 PolarHBondContact N-O 3.15Å; N690-K693 PolarHBondContact O-N 3.29Å; N690-K693 VanDerWaalsContact O-O 3.11Å; N690-L695 HydrophobicContact CB-CD1 3.64Å; N690-L695 HydrophobicContact CB-CG 4.46Å |
| 691 | N | 60.8 | Low | 71.8 | Confident | 64 Ų | 64 | 32.3 Ų | 32.3 | 34% | 0.342 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 48.5 | -176.1 | -61 | -23.1 | 0 | 0 | 0 | 114.8 | K693 K1141 | N691-K693 PolarHBondContact O-N 2.81Å; N691-K1141 WeakPolarHBondContact OD1-CE 3.29Å; N691-K1141 PolarHBondContact OD1-NZ 2.91Å |
| 692 | D | 61.5 | Low | 71.2 | Confident | 95 Ų | 95 | 37.3 Ų | 37.3 | 51% | 0.508 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 10.3 | -179.5 | -51 | -51.4 | 0 | 0 | 0 | 114.5 | N690 | N690-D692 PolarHBondContact O-N 2.88Š|
| 693 | K | 60.7 | Low | 71.1 | Confident | 68 Ų | 68 | 40.8 Ų | 40.8 | 30% | 0.296 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 134.6 | 172.7 | -69.1 | -177.2 | -179.7 | 174.6 | 0 | 110 | A689 N690 N691 E1171 E1174 | A689-K693 WeakPolarHBondContact CA-O 3.39Å; N690-K693 PolarHBondContact N-O 3.15Å; N690-K693 PolarHBondContact O-N 3.29Å; N690-K693 VanDerWaalsContact O-O 3.11Å; N691-K693 PolarHBondContact O-N 2.81Å; K693-E1171 IonicContact NZ-OE1 2.61Å; K693-E1174 IonicContact NZ-OE2 2.91Å; K693-E1174 PolarHBondContact NZ-OE2 3.48Å |
| 694 | L | 70.5 | Confident | 71.4 | Confident | 28 Ų | 28 | 39 Ų | 39 | 15% | 0.147 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 125.3 | 172.2 | -62.9 | 174.6 | 0 | 0 | 0 | 109.9 | L610 M627 V687 A689 | L610-L694 HydrophobicContact CB-CD2 4.24Å; L610-L694 HydrophobicContact CD1-CD2 3.26Å; L610-L694 HydrophobicContact CG-CD2 4.38Å; M627-L694 HydrophobicContact CE-CD1 3.55Å; M627-L694 HydrophobicContact SD-CD1 4.09Å; V687-L694 HydrophobicContact CG1-CD2 4.31Å; A689-L694 HydrophobicContact CB-CD2 4.3Å |
| 695 | L | 70.3 | Confident | 71.3 | Confident | 36 Ų | 36 | 43.8 Ų | 43.8 | 19% | 0.188 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 144.1 | 175 | -65.6 | 177.7 | 0 | 0 | 0 | 109.7 | V687 Y688 N690 | V687-L695 VanDerWaalsContact CA-O 3.29Å; V687-L695 WeakPolarHBondContact CA-O 3.35Å; Y688-L695 HydrophobicContact CD1-CB 4.39Å; Y688-L695 HydrophobicContact CD2-CB 4.44Å; Y688-L695 HydrophobicContact CE1-CB 3.92Å; Y688-L695 HydrophobicContact CE2-CB 4Å; Y688-L695 HydrophobicContact CE2-CD1 3.65Å; Y688-L695 HydrophobicContact CE2-CG 4.4Å; Y688-L695 PolarHBondContact N-O 2.81Å; Y688-L695 VanDerWaalsContact N-O 3.08Å; Y688-L695 PolarHBondContact O-N 3.18Å; N690-L695 HydrophobicContact CB-CD1 3.64Å; N690-L695 HydrophobicContact CB-CG 4.46Å |
| 696 | F | 72.5 | Confident | 71.5 | Confident | 60 Ų | 60 | 43.7 Ų | 43.7 | 26% | 0.263 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 118.4 | 175.4 | -69.6 | -103.5 | 0 | 0 | 0 | 107.8 | L625 M627 W641 V643 V645 V687 | L625-F696 HydrophobicContact CD2-CE1 3.92Å; L625-F696 HydrophobicContact CD2-CZ 4.33Å; M627-F696 HydrophobicContact CE-CE2 4.46Å; M627-F696 HydrophobicContact CE-CZ 4.31Å; M627-F696 HydrophobicContact SD-CE2 4.37Å; M627-F696 HydrophobicContact SD-CZ 3.7Å; W641-F696 HydrophobicContact CH2-CE2 4.47Å; V643-F696 HydrophobicContact CG2-CZ 4.37Å; V645-F696 HydrophobicContact CG1-CE1 4.31Å; V687-F696 HydrophobicContact CG2-CD1 3.45Å; V687-F696 VanDerWaalsContact CG2-CD1 3.45Å; V687-F696 HydrophobicContact CG2-CE1 3.32Å; V687-F696 HydrophobicContact CG2-CG 4.17Å; V687-F696 HydrophobicContact CG2-CZ 3.95Å |
| 697 | S | 72.3 | Confident | 71.7 | Confident | 18 Ų | 18 | 43.5 Ų | 43.5 | 13% | 0.126 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 123.6 | 172.4 | -73.3 | 0 | 0 | 0 | 0 | 109.1 | S685 V686 Y688 | S685-S697 CarbonylContact C-O 3.41Å; S685-S697 WeakPolarHBondContact CA-O 3.43Å; V686-S697 PolarHBondContact N-O 3.36Å; V686-S697 PolarHBondContact O-N 3.31Å; Y688-S697 WeakPolarHBondContact CE1-OG 3.35Å; Y688-S697 PolarHBondContact OH-OG 2.94Å |
| 698 | S | 72.2 | Confident | 72 | Confident | 10 Ų | 10 | 43.8 Ų | 43.8 | 7% | 0.07 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 143.4 | 171.7 | 36.5 | 0 | 0 | 0 | 0 | 110.7 | S402 G403 I404 Y684 | S402-S698 PolarHBondContact O-OG 3.42Å; G403-S698 CarbonylContact C-O 3.57Å; G403-S698 WeakPolarHBondContact CA-O 3.45Å; I404-S698 PolarHBondContact N-O 3.06Å; Y684-S698 CarbonylContact O-C 3.52Å; Y684-S698 WeakPolarHBondContact O-CA 3.17Å |
| 699 | V | 75.2 | Confident | 72.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -106.4 | 127.5 | 170 | -175.4 | 0 | 0 | 0 | 0 | 108.3 | I404 V406 M678 Y684 V686 I701 L732 | I404-V699 HydrophobicContact CB-CG2 4.34Å; I404-V699 CarbonylContact O-C 3.57Å; I404-V699 VanDerWaalsContact O-CA 3.3Å; I404-V699 WeakPolarHBondContact O-CA 3.36Å; V406-V699 HydrophobicContact CG2-CG1 3.87Å; M678-V699 HydrophobicContact CE-CB 4.34Å; M678-V699 HydrophobicContact CE-CG1 4.14Å; M678-V699 HydrophobicContact CE-CG2 4.09Å; Y684-V699 PolarHBondContact O-N 2.86Å; V686-V699 HydrophobicContact CB-CG2 4.34Å; V686-V699 HydrophobicContact CG2-CG2 3.5Å; V686-V699 VanDerWaalsContact CG2-CG2 3.5Å; V699-I701 HydrophobicContact CG1-CD1 3.82Å; V699-I701 HydrophobicContact CG1-CG1 3.91Å; V699-I701 PolarHBondContact O-N 3.06Å; V699-L732 HydrophobicContact CG1-CD2 4.43Å |
| 700 | N | 71.1 | Confident | 72.8 | Confident | 40 Ų | 40 | 43 Ų | 43 | 21% | 0.214 | 22% | 0.22 | C | C | . | . | trans | -83.1 | 53.8 | -174.5 | -65.8 | -28.9 | 0 | 0 | 0 | 112.4 | S401 I404 | S401-N700 PolarHBondContact OG-ND2 2.86Å; I404-N700 PolarHBondContact O-N 2.81Å | ||
| 701 | I | 71.5 | Confident | 73.4 | Confident | 18 Ų | 18 | 42.4 Ų | 42.4 | 9% | 0.092 | 22% | 0.217 | C | C | . | . | trans | -117.2 | 146.5 | 170.8 | -52.5 | 164 | 0 | 0 | 0 | 108.5 | V406 Y684 V699 V704 F721 | V406-I701 HydrophobicContact CB-CD1 3.53Å; V406-I701 HydrophobicContact CB-CG1 3.77Å; V406-I701 HydrophobicContact CG1-CD1 4.06Å; V406-I701 HydrophobicContact CG2-CD1 3.22Å; V406-I701 HydrophobicContact CG2-CG1 3.8Å; Y684-I701 WeakPolarHBondContact CD2-O 3.4Å; V699-I701 HydrophobicContact CG1-CD1 3.82Å; V699-I701 HydrophobicContact CG1-CG1 3.91Å; V699-I701 PolarHBondContact O-N 3.06Å; I701-V704 HydrophobicContact CB-CG2 3.88Å; I701-V704 HydrophobicContact CD1-CG2 4.45Å; I701-V704 HydrophobicContact CG2-CG2 3.24Å; I701-F721 HydrophobicContact CD1-CE1 4.24Å; I701-F721 HydrophobicContact CD1-CE2 4.29Å; I701-F721 HydrophobicContact CD1-CZ 4.07Å; I701-F721 HydrophobicContact CG2-CD2 4.06Å; I701-F721 HydrophobicContact CG2-CE2 3.54Å; I701-F721 HydrophobicContact CG2-CZ 4.15Å | ||
| 702 | R | 65.5 | Low | 74 | Confident | 112 Ų | 112 | 40.3 Ų | 40.3 | 42% | 0.423 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -98.4 | 142.1 | 178.9 | -60.4 | -176.4 | -178.2 | -146.6 | 0.6 | 111.4 | V704 N825 | R702-V704 PolarHBondContact O-N 3.46Å; R702-N825 VanDerWaalsContact NH1-CB 3.29Å; R702-N825 PolarHBondContact NH1-OD1 2.93Å; R702-N825 PolarHBondContact NH2-O 2.93Å; R702-N825 PolarHBondContact NH2-OD1 3.26Å |
| 703 | D | 68.6 | Low | 74.4 | Confident | 108 Ų | 108 | 42.7 Ų | 42.7 | 58% | 0.578 | 22% | 0.215 | S | C | * | . | trans | 54.4 | 21.9 | 164.3 | -53.5 | -44.6 | 0 | 0 | 0 | 117.2 | L705 N723 | D703-L705 PolarHBondContact O-N 3.33Å; D703-N723 HydrophobicContact CB-CB 4.07Å; D703-N723 WeakPolarHBondContact O-CA 3.42Å; D703-N723 WeakPolarHBondContact O-CB 3.26Å | ||
| 704 | V | 74.4 | Confident | 74.8 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | trans | -60 | 103.8 | 174.3 | -177.5 | 0 | 0 | 0 | 0 | 113.9 | Y684 I701 R702 C706 I707 F721 T722 | Y684-V704 HydrophobicContact CD1-CB 4.03Å; Y684-V704 HydrophobicContact CE1-CB 3.46Å; Y684-V704 VanDerWaalsContact CE1-CB 3.46Å; Y684-V704 HydrophobicContact CE1-CG1 4.18Å; Y684-V704 HydrophobicContact CE1-CG2 4.41Å; Y684-V704 WeakPolarHBondContact CE1-O 3.39Å; Y684-V704 HydrophobicContact CE2-CB 3.97Å; Y684-V704 HydrophobicContact CE2-CG2 4.23Å; Y684-V704 VanDerWaalsContact CZ-CB 3.44Å; Y684-V704 WeakPolarHBondContact OH-CA 3.46Å; Y684-V704 PolarHBondContact OH-N 2.84Å; Y684-V704 PolarHBondContact OH-O 2.81Å; I701-V704 HydrophobicContact CB-CG2 3.88Å; I701-V704 HydrophobicContact CD1-CG2 4.45Å; I701-V704 HydrophobicContact CG2-CG2 3.24Å; R702-V704 PolarHBondContact O-N 3.46Å; V704-C706 VanDerWaalsContact CG1-O 3.29Å; V704-C706 WeakPolarHBondContact CG1-O 3.39Å; V704-I707 HydrophobicContact CG1-CB 4.23Å; V704-F721 HydrophobicContact CG1-CB 3.67Å; V704-F721 HydrophobicContact CG1-CG 4.5Å; V704-F721 HydrophobicContact CG2-CB 4.34Å; V704-F721 HydrophobicContact CG2-CD2 3.7Å; V704-F721 HydrophobicContact CG2-CE2 4.34Å; V704-F721 HydrophobicContact CG2-CG 4.31Å; V704-T722 CarbonylContact C-O 3.57Å; V704-T722 VanDerWaalsContact CA-O 3.29Å; V704-T722 WeakPolarHBondContact CA-O 3.47Å | ||
| 705 | L | 76.7 | Confident | 74.8 | Confident | 109 Ų | 109 | 44.3 Ų | 44.3 | 57% | 0.571 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -70.3 | -42.3 | 175.2 | -68.3 | 172.9 | 0 | 0 | 0 | 112.2 | D703 T722 G724 | D703-L705 PolarHBondContact O-N 3.33Å; L705-T722 PolarHBondContact N-O 2.93Å; L705-G724 VanDerWaalsContact CD1-CA 3.45Å |
| 706 | C | 80.4 | Confident | 74.7 | Confident | 14 Ų | 14 | 47.1 Ų | 47.1 | 10% | 0.095 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 151.7 | 176.8 | 63.3 | 0 | 0 | 0 | 0 | 112.2 | V704 F721 T722 | V704-C706 VanDerWaalsContact CG1-O 3.29Å; V704-C706 WeakPolarHBondContact CG1-O 3.39Å; C706-F721 VanDerWaalsContact O-CA 3.28Å; C706-F721 WeakPolarHBondContact O-CA 3.41Å; C706-T722 PolarHBondContact O-N 3.25Å; C706-T722 VanDerWaalsContact O-N 3.1Å; C706-T722 WeakPolarHBondContact SG-CG2 3.36Å |
| 707 | I | 85.3 | Confident | 74.7 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 147.1 | 178.8 | -167.7 | 163.5 | 0 | 0 | 0 | 110.5 | K653 F655 M678 C680 V704 C719 V720 F721 | K653-I707 HydrophobicContact CG-CG2 4.47Å; F655-I707 HydrophobicContact CE2-CD1 4.24Å; F655-I707 HydrophobicContact CE2-CG1 4.27Å; F655-I707 HydrophobicContact CE2-CG2 4.34Å; F655-I707 HydrophobicContact CZ-CD1 3.95Å; F655-I707 HydrophobicContact CZ-CG1 4Å; M678-I707 HydrophobicContact CE-CD1 3.41Å; M678-I707 VanDerWaalsContact CE-CD1 3.41Å; M678-I707 HydrophobicContact CG-CG2 4.17Å; M678-I707 HydrophobicContact SD-CD1 3.66Å; M678-I707 HydrophobicContact SD-CG2 4.49Å; C680-I707 WeakPolarHBondContact SG-CG2 3.13Å; V704-I707 HydrophobicContact CG1-CB 4.23Å; I707-C719 HydrophobicContact CD1-CB 4.03Å; I707-C719 HydrophobicContact CG1-CB 4.24Å; I707-V720 CarbonylContact C-O 3.58Å; I707-V720 WeakPolarHBondContact CA-O 3.35Å; I707-V720 WeakPolarHBondContact CG1-O 3.06Å; I707-F721 HydrophobicContact CB-CB 4.15Å; I707-F721 HydrophobicContact CD1-CB 4.17Å; I707-F721 HydrophobicContact CG1-CB 3.92Å |
| 708 | S | 86.6 | Confident | 75.2 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 135 | 168.7 | -174 | 0 | 0 | 0 | 0 | 110.4 | A422 L710 C719 V720 | A422-S708 PolarHBondContact N-OG 2.61Å; S708-L710 PolarHBondContact O-N 3.48Å; S708-C719 WeakPolarHBondContact O-CA 3.29Å; S708-V720 PolarHBondContact N-O 3.44Å; S708-V720 PolarHBondContact O-N 2.96Å |
| 709 | P | 83.7 | Confident | 75.8 | Confident | 36 Ų | 36 | 45.1 Ų | 45.1 | 23% | 0.234 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 132 | 167.9 | 25.7 | -32.6 | 0 | 0 | 0 | 109.8 | A422 F655 | A422-P709 WeakPolarHBondContact CB-O 3.14Å; F655-P709 HydrophobicContact CD1-CB 3.65Å; F655-P709 HydrophobicContact CD2-CB 4.48Å; F655-P709 VanDerWaalsContact CE1-CA 3.43Å; F655-P709 HydrophobicContact CE1-CB 3.44Å; F655-P709 VanDerWaalsContact CE1-CB 3.44Å; F655-P709 HydrophobicContact CE1-CG 4.48Å; F655-P709 HydrophobicContact CE2-CB 4.31Å; F655-P709 HydrophobicContact CG-CB 4.18Å; F655-P709 HydrophobicContact CZ-CB 3.79Å; F655-P709 HydrophobicContact CZ-CG 4.44Å |
| 710 | L | 82.6 | Confident | 76.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -128 | 94.9 | 173.9 | -170.8 | 152.1 | 0 | 0 | 0 | 107.9 | A422 N432 F448 S708 S712 G718 V720 F729 | A422-L710 HydrophobicContact CB-CB 4Å; A422-L710 HydrophobicContact CB-CD1 4.33Å; A422-L710 HydrophobicContact CB-CG 4.13Å; N432-L710 HydrophobicContact CB-CG 4.2Å; F448-L710 HydrophobicContact CD1-CD1 4.28Å; F448-L710 HydrophobicContact CD2-CD1 3.61Å; F448-L710 HydrophobicContact CE1-CD1 4.31Å; F448-L710 HydrophobicContact CE2-CD1 3.68Å; F448-L710 HydrophobicContact CG-CD1 3.95Å; F448-L710 HydrophobicContact CZ-CD1 4.03Å; S708-L710 PolarHBondContact O-N 3.48Å; L710-S712 PolarHBondContact O-N 3.05Å; L710-G718 CarbonylContact C-O 3.57Å; L710-G718 PolarHBondContact N-O 2.98Å; L710-G718 CarbonylContact O-C 3.59Å; L710-G718 WeakPolarHBondContact O-CA 3.2Å; L710-G718 PolarHBondContact O-N 3Å; L710-V720 HydrophobicContact CB-CG2 3.95Å; L710-V720 HydrophobicContact CD1-CG2 3.5Å; L710-V720 VanDerWaalsContact CD1-CG2 3.5Å; L710-V720 HydrophobicContact CG-CG2 4.34Å; L710-F729 HydrophobicContact CB-CE2 4.29Å; L710-F729 HydrophobicContact CD2-CE2 3.82Å; L710-F729 HydrophobicContact CD2-CZ 4.32Å; L710-F729 HydrophobicContact CG-CE2 4.46Å | ||
| 711 | N | 78.2 | Confident | 77.3 | Confident | 63 Ų | 63 | 43.4 Ų | 43.4 | 34% | 0.337 | 22% | 0.223 | S | C | . | . | trans | -94.4 | 96.1 | -179.7 | -159.4 | 33.9 | 0 | 0 | 0 | 109.3 | N432 E716 Q717 | N432-N711 PolarHBondContact N-O 3.06Å; N711-E716 WeakPolarHBondContact OD1-CA 3.34Å; N711-Q717 PolarHBondContact OD1-N 3.29Å; N711-Q717 VanDerWaalsContact OD1-N 3.15Å | ||
| 712 | S | 75.1 | Confident | 78.1 | Confident | 20 Ų | 20 | 42.6 Ų | 42.6 | 14% | 0.14 | 22% | 0.218 | C | C | . | . | trans | -97.5 | 166 | 175.3 | 72.8 | 0 | 0 | 0 | 0 | 110.7 | N432 L710 A714 Y715 | N432-S712 WeakPolarHBondContact O-CB 3.34Å; L710-S712 PolarHBondContact O-N 3.05Å; S712-A714 VanDerWaalsContact C-N 3.28Å; S712-A714 PolarHBondContact O-N 2.93Å; S712-Y715 CarbonylContact O-C 3.57Å; S712-Y715 PolarHBondContact O-N 3.18Å; S712-Y715 PolarHBondContact OG-N 2.87Å | ||
| 713 | E | 70 | Confident | 78.8 | Confident | 145 Ų | 145 | 40.2 Ų | 40.2 | 68% | 0.678 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -65.7 | -33 | 177.5 | -167.1 | 168.2 | 173.3 | 0 | 0 | 112.2 | N429 | N429-E713 PolarHBondContact ND2-OE2 3.08Š|
| 714 | A | 68.8 | Low | 79.4 | Confident | 59 Ų | 59 | 35.8 Ų | 35.8 | 49% | 0.488 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -77.7 | -30.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S712 | S712-A714 VanDerWaalsContact C-N 3.28Å; S712-A714 PolarHBondContact O-N 2.93Å |
| 715 | Y | 70.4 | Confident | 79.8 | Confident | 72 Ų | 72 | 41.8 Ų | 41.8 | 28% | 0.282 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -133.5 | 84.3 | -173.7 | -56.1 | -72.5 | 0 | 0 | 0 | 110.2 | L409 E450 S712 Q717 G718 F729 V731 | L409-Y715 HydrophobicContact CD1-CD1 3.47Å; L409-Y715 VanDerWaalsContact CD1-CD1 3.47Å; L409-Y715 HydrophobicContact CD1-CE1 3.43Å; L409-Y715 VanDerWaalsContact CD1-CE1 3.43Å; L409-Y715 HydrophobicContact CD1-CG 4.06Å; E450-Y715 PolarHBondContact O-OH 2.84Å; S712-Y715 CarbonylContact O-C 3.57Å; S712-Y715 PolarHBondContact O-N 3.18Å; S712-Y715 PolarHBondContact OG-N 2.87Å; Y715-Q717 PolarHBondContact O-N 3.34Å; Y715-G718 PolarHBondContact O-N 2.92Å; Y715-F729 AromaticContact CD2-CE1 3.69Å; Y715-F729 HydrophobicContact CD2-CE1 3.69Å; Y715-F729 AromaticContact CD2-CZ 3.81Å; Y715-F729 HydrophobicContact CD2-CZ 3.81Å; Y715-F729 HydrophobicContact CE2-CE1 4.1Å; Y715-F729 HydrophobicContact CG-CE1 4.01Å; Y715-F729 AromaticContact CG-CZ 3.99Å; Y715-F729 HydrophobicContact CG-CZ 3.99Å; Y715-V731 HydrophobicContact CD1-CG2 4.18Å; Y715-V731 HydrophobicContact CG-CG2 4.44Å |
| 716 | E | 68.3 | Low | 80.3 | Confident | 94 Ų | 94 | 39.1 Ų | 39.1 | 44% | 0.439 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 136.5 | 168.4 | -68.1 | -159.3 | 139.7 | 0 | 0 | 109.4 | K658 N711 G718 | K658-E716 IonicContact NZ-OE1 2.78Å; K658-E716 PolarHBondContact NZ-OE1 2.84Å; N711-E716 WeakPolarHBondContact OD1-CA 3.34Å; E716-G718 VanDerWaalsContact C-N 3.3Å; E716-G718 PolarHBondContact O-N 2.96Å |
| 717 | Q | 72.8 | Confident | 80.7 | Confident | 44 Ų | 44 | 38.9 Ų | 38.9 | 21% | 0.206 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 23.6 | -174.9 | -44.2 | -178 | 13.9 | 0 | 0 | 115.3 | S657 N711 Y715 V731 L732 | S657-Q717 PolarHBondContact OG-NE2 3.45Å; N711-Q717 PolarHBondContact OD1-N 3.29Å; N711-Q717 VanDerWaalsContact OD1-N 3.15Å; Y715-Q717 PolarHBondContact O-N 3.34Å; Q717-V731 HydrophobicContact CB-CG1 4.38Å; Q717-L732 PolarHBondContact O-N 2.91Å; Q717-L732 PolarHBondContact OE1-O 3.14Å |
| 718 | G | 80.9 | Confident | 80.9 | Confident | 2 Ų | 2 | 39 Ų | 39 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 150.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L710 Y715 E716 G730 | L710-G718 CarbonylContact C-O 3.57Å; L710-G718 PolarHBondContact N-O 2.98Å; L710-G718 CarbonylContact O-C 3.59Å; L710-G718 WeakPolarHBondContact O-CA 3.2Å; L710-G718 PolarHBondContact O-N 3Å; Y715-G718 PolarHBondContact O-N 2.92Å; E716-G718 VanDerWaalsContact C-N 3.3Å; E716-G718 PolarHBondContact O-N 2.96Å; G718-G730 CarbonylContact C-O 3.59Å; G718-G730 WeakPolarHBondContact CA-O 3.01Å |
| 719 | C | 86.2 | Confident | 80.9 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 143.6 | 174.2 | 66.9 | 0 | 0 | 0 | 0 | 110.3 | F655 I707 S708 F729 G730 L732 | F655-C719 HydrophobicContact CE1-CB 3.73Å; F655-C719 HydrophobicContact CZ-CB 3.7Å; I707-C719 HydrophobicContact CD1-CB 4.03Å; I707-C719 HydrophobicContact CG1-CB 4.24Å; S708-C719 WeakPolarHBondContact O-CA 3.29Å; C719-F729 WeakPolarHBondContact O-CA 3.3Å; C719-F729 VanDerWaalsContact O-CD2 3.27Å; C719-F729 WeakPolarHBondContact O-CD2 3.42Å; C719-G730 PolarHBondContact N-O 3.17Å; C719-G730 PolarHBondContact O-N 2.78Å; C719-G730 PolarHBondContact SG-O 2.8Å; C719-L732 HydrophobicContact CB-CD1 4.3Å |
| 720 | V | 88.8 | Confident | 80.9 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130.2 | 170.9 | -177.4 | 0 | 0 | 0 | 0 | 107.5 | L420 F448 I707 S708 L710 L727 S728 F729 | L420-V720 HydrophobicContact CD1-CG1 4.11Å; L420-V720 HydrophobicContact CD2-CG1 4.48Å; F448-V720 HydrophobicContact CE1-CG2 4.21Å; F448-V720 HydrophobicContact CE2-CG2 4.34Å; F448-V720 HydrophobicContact CZ-CG2 3.72Å; I707-V720 CarbonylContact C-O 3.58Å; I707-V720 WeakPolarHBondContact CA-O 3.35Å; I707-V720 WeakPolarHBondContact CG1-O 3.06Å; S708-V720 PolarHBondContact N-O 3.44Å; S708-V720 PolarHBondContact O-N 2.96Å; L710-V720 HydrophobicContact CB-CG2 3.95Å; L710-V720 HydrophobicContact CD1-CG2 3.5Å; L710-V720 VanDerWaalsContact CD1-CG2 3.5Å; L710-V720 HydrophobicContact CG-CG2 4.34Å; V720-L727 HydrophobicContact CG1-CD1 3.59Å; V720-L727 HydrophobicContact CG1-CD2 4.38Å; V720-L727 HydrophobicContact CG1-CG 4Å; V720-S728 WeakPolarHBondContact CA-O 3.43Å; V720-F729 HydrophobicContact CG2-CD2 3.74Å |
| 721 | F | 88.5 | Confident | 80.9 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 162.5 | -179.3 | 57.2 | -86 | 0 | 0 | 0 | 111.2 | V406 E408 I701 V704 C706 I707 S728 | V406-F721 HydrophobicContact CG1-CE1 3.69Å; V406-F721 HydrophobicContact CG1-CZ 4.11Å; E408-F721 HydrophobicContact CG-CE1 4.5Å; E408-F721 HydrophobicContact CG-CZ 3.71Å; E408-F721 WeakPolarHBondContact OE1-CE2 3.19Å; E408-F721 WeakPolarHBondContact OE1-CZ 3.22Å; I701-F721 HydrophobicContact CD1-CE1 4.24Å; I701-F721 HydrophobicContact CD1-CE2 4.29Å; I701-F721 HydrophobicContact CD1-CZ 4.07Å; I701-F721 HydrophobicContact CG2-CD2 4.06Å; I701-F721 HydrophobicContact CG2-CE2 3.54Å; I701-F721 HydrophobicContact CG2-CZ 4.15Å; V704-F721 HydrophobicContact CG1-CB 3.67Å; V704-F721 HydrophobicContact CG1-CG 4.5Å; V704-F721 HydrophobicContact CG2-CB 4.34Å; V704-F721 HydrophobicContact CG2-CD2 3.7Å; V704-F721 HydrophobicContact CG2-CE2 4.34Å; V704-F721 HydrophobicContact CG2-CG 4.31Å; C706-F721 VanDerWaalsContact O-CA 3.28Å; C706-F721 WeakPolarHBondContact O-CA 3.41Å; I707-F721 HydrophobicContact CB-CB 4.15Å; I707-F721 HydrophobicContact CD1-CB 4.17Å; I707-F721 HydrophobicContact CG1-CB 3.92Å; F721-S728 VanDerWaalsContact CE2-CB 3.43Å; F721-S728 PolarHBondContact N-O 3.11Å; F721-S728 PolarHBondContact O-N 2.95Å |
| 722 | T | 87.9 | Confident | 80.8 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 144.2 | 177.5 | -178.6 | 0 | 0 | 0 | 0 | 110.9 | V417 L420 V704 L705 C706 G724 M726 | V417-T722 HydrophobicContact CB-CG2 3.87Å; V417-T722 HydrophobicContact CG1-CG2 3.76Å; L420-T722 HydrophobicContact CD1-CG2 4.2Å; V704-T722 CarbonylContact C-O 3.57Å; V704-T722 VanDerWaalsContact CA-O 3.29Å; V704-T722 WeakPolarHBondContact CA-O 3.47Å; L705-T722 PolarHBondContact N-O 2.93Å; C706-T722 PolarHBondContact O-N 3.25Å; C706-T722 VanDerWaalsContact O-N 3.1Å; C706-T722 WeakPolarHBondContact SG-CG2 3.36Å; T722-G724 PolarHBondContact OG1-N 3.14Å; T722-G724 VanDerWaalsContact OG1-N 3.1Å; T722-M726 WeakPolarHBondContact CA-O 3.25Å; T722-M726 VanDerWaalsContact CB-O 3.32Å; T722-M726 WeakPolarHBondContact CB-O 3.31Å; T722-M726 PolarHBondContact OG1-O 2.77Å |
| 723 | N | 81.4 | Confident | 80.4 | Confident | 63 Ų | 63 | 39 Ų | 39 | 34% | 0.337 | 20% | 0.202 | S | C | . | . | trans | -97 | 10.1 | 170.7 | 69.4 | -1.3 | 0 | 0 | 0 | 113.9 | D703 E725 M726 | D703-N723 HydrophobicContact CB-CB 4.07Å; D703-N723 WeakPolarHBondContact O-CA 3.42Å; D703-N723 WeakPolarHBondContact O-CB 3.26Å; N723-E725 VanDerWaalsContact C-N 3.32Å; N723-E725 PolarHBondContact O-N 2.93Å; N723-E725 PolarHBondContact OD1-N 2.94Å; N723-M726 PolarHBondContact N-O 2.83Å; N723-M726 PolarHBondContact OD1-N 2.84Å; N723-M726 PolarHBondContact OD1-O 3.23Å | ||
| 724 | G | 80.6 | Confident | 80.1 | Confident | 15 Ų | 15 | 36.6 Ų | 36.6 | 16% | 0.155 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 90.4 | -16.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | P415 G416 L705 T722 | P415-G724 CarbonylContact C-O 3.53Å; P415-G724 VanDerWaalsContact CA-O 3.24Å; P415-G724 WeakPolarHBondContact CA-O 3.09Å; G416-G724 PolarHBondContact N-O 2.88Å; L705-G724 VanDerWaalsContact CD1-CA 3.45Å; T722-G724 PolarHBondContact OG1-N 3.14Å; T722-G724 VanDerWaalsContact OG1-N 3.1Å |
| 725 | E | 83.7 | Confident | 79.6 | Confident | 127 Ų | 127 | 36.1 Ų | 36.1 | 59% | 0.593 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -111.6 | -40 | 172.5 | -64.4 | -163.9 | 165 | 0 | 0 | 112.7 | L414 N723 | L414-E725 CarbonylContact C-O 3.5Å; L414-E725 VanDerWaalsContact C-O 3.3Å; L414-E725 PolarHBondContact N-O 3.09Å; L414-E725 VanDerWaalsContact N-O 3.12Å; N723-E725 VanDerWaalsContact C-N 3.32Å; N723-E725 PolarHBondContact O-N 2.93Å; N723-E725 PolarHBondContact OD1-N 2.94Å |
| 726 | M | 86.3 | Confident | 78.8 | Confident | 53 Ų | 53 | 37.3 Ų | 37.3 | 26% | 0.261 | 19% | 0.193 | S | C | . | . | trans | -119.3 | 144.2 | -177.3 | -55 | -71.5 | -101.4 | 0 | 0 | 109.5 | A412 K413 T722 N723 | A412-M726 CarbonylContact O-C 3.58Å; A412-M726 WeakPolarHBondContact O-CA 3.42Å; K413-M726 VanDerWaalsContact CA-SD 3.57Å; K413-M726 HydrophobicContact CB-SD 3.64Å; K413-M726 HydrophobicContact CD-SD 4.33Å; K413-M726 HydrophobicContact CG-SD 3.72Å; T722-M726 WeakPolarHBondContact CA-O 3.25Å; T722-M726 VanDerWaalsContact CB-O 3.32Å; T722-M726 WeakPolarHBondContact CB-O 3.31Å; T722-M726 PolarHBondContact OG1-O 2.77Å; N723-M726 PolarHBondContact N-O 2.83Å; N723-M726 PolarHBondContact OD1-N 2.84Å; N723-M726 PolarHBondContact OD1-O 3.23Å | ||
| 727 | L | 88.7 | Confident | 78.6 | Confident | 9 Ų | 9 | 38.9 Ų | 38.9 | 5% | 0.047 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 123.3 | 165.2 | -175.7 | 75.8 | 0 | 0 | 0 | 107.7 | Q411 A412 L414 L420 L446 V720 | Q411-L727 CarbonylContact C-O 3.58Å; Q411-L727 WeakPolarHBondContact CA-O 3.44Å; A412-L727 PolarHBondContact N-O 2.95Å; A412-L727 PolarHBondContact O-N 2.84Å; L414-L727 HydrophobicContact CB-CB 4.12Å; L414-L727 HydrophobicContact CD1-CB 3.92Å; L414-L727 HydrophobicContact CD1-CD2 3.63Å; L414-L727 HydrophobicContact CD1-CG 4.41Å; L420-L727 HydrophobicContact CD1-CD1 4.02Å; L420-L727 HydrophobicContact CD2-CD1 3.68Å; L420-L727 HydrophobicContact CG-CD1 4.5Å; L446-L727 HydrophobicContact CD1-CD2 3.4Å; L446-L727 VanDerWaalsContact CD1-CD2 3.4Å; V720-L727 HydrophobicContact CG1-CD1 3.59Å; V720-L727 HydrophobicContact CG1-CD2 4.38Å; V720-L727 HydrophobicContact CG1-CG 4Å |
| 728 | S | 88.7 | Confident | 78.6 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 142.7 | -178.5 | -56.9 | 0 | 0 | 0 | 0 | 110.5 | F410 V720 F721 | F410-S728 CarbonylContact O-C 3.58Å; F410-S728 WeakPolarHBondContact O-CA 3.48Å; V720-S728 WeakPolarHBondContact CA-O 3.43Å; F721-S728 VanDerWaalsContact CE2-CB 3.43Å; F721-S728 PolarHBondContact N-O 3.11Å; F721-S728 PolarHBondContact O-N 2.95Å |
| 729 | F | 87.3 | Confident | 78.4 | Confident | 11 Ų | 11 | 39 Ų | 39 | 5% | 0.048 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 132.9 | 168 | 174.2 | -110.6 | 0 | 0 | 0 | 108.8 | L409 F410 F448 L710 Y715 C719 V720 | L409-F729 HydrophobicContact CB-CD1 4.07Å; L409-F729 HydrophobicContact CB-CE1 4.47Å; L409-F729 HydrophobicContact CD1-CD1 4.09Å; L409-F729 HydrophobicContact CD1-CE1 3.66Å; L409-F729 PolarHBondContact N-O 2.92Å; F410-F729 HydrophobicContact CB-CB 4.4Å; F410-F729 PolarHBondContact N-O 3.43Å; F410-F729 VanDerWaalsContact N-O 3.16Å; F410-F729 PolarHBondContact O-N 3.31Å; F448-F729 HydrophobicContact CE1-CB 4.1Å; F448-F729 HydrophobicContact CE1-CD2 4.12Å; F448-F729 HydrophobicContact CE1-CG 4.04Å; L710-F729 HydrophobicContact CB-CE2 4.29Å; L710-F729 HydrophobicContact CD2-CE2 3.82Å; L710-F729 HydrophobicContact CD2-CZ 4.32Å; L710-F729 HydrophobicContact CG-CE2 4.46Å; Y715-F729 AromaticContact CD2-CE1 3.69Å; Y715-F729 HydrophobicContact CD2-CE1 3.69Å; Y715-F729 AromaticContact CD2-CZ 3.81Å; Y715-F729 HydrophobicContact CD2-CZ 3.81Å; Y715-F729 HydrophobicContact CE2-CE1 4.1Å; Y715-F729 HydrophobicContact CG-CE1 4.01Å; Y715-F729 AromaticContact CG-CZ 3.99Å; Y715-F729 HydrophobicContact CG-CZ 3.99Å; C719-F729 WeakPolarHBondContact O-CA 3.3Å; C719-F729 VanDerWaalsContact O-CD2 3.27Å; C719-F729 WeakPolarHBondContact O-CD2 3.42Å; V720-F729 HydrophobicContact CG2-CD2 3.74Å |
| 730 | G | 84.2 | Confident | 78.2 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 168.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K407 G718 C719 | K407-G730 CarbonylContact O-C 3.54Å; K407-G730 WeakPolarHBondContact O-CA 3.5Å; G718-G730 CarbonylContact C-O 3.59Å; G718-G730 WeakPolarHBondContact CA-O 3.01Å; C719-G730 PolarHBondContact N-O 3.17Å; C719-G730 PolarHBondContact O-N 2.78Å; C719-G730 PolarHBondContact SG-O 2.8Å |
| 731 | V | 81.1 | Confident | 77.9 | Confident | 33 Ų | 33 | 46.9 Ų | 46.9 | 20% | 0.2 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 130.3 | 177.4 | 178.9 | 0 | 0 | 0 | 0 | 108.5 | V406 K407 L409 Y715 Q717 D733 | V406-V731 WeakPolarHBondContact CA-O 3.46Å; K407-V731 PolarHBondContact N-O 2.99Å; K407-V731 PolarHBondContact O-N 3.21Å; L409-V731 HydrophobicContact CD1-CG2 3.77Å; Y715-V731 HydrophobicContact CD1-CG2 4.18Å; Y715-V731 HydrophobicContact CG-CG2 4.44Å; Q717-V731 HydrophobicContact CB-CG1 4.38Å; V731-D733 PolarHBondContact O-N 2.87Å |
| 732 | L | 76.3 | Confident | 77.9 | Confident | 18 Ų | 18 | 50.8 Ų | 50.8 | 9% | 0.094 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 127.6 | 171.8 | -80.9 | 146.5 | 0 | 0 | 0 | 108.8 | I404 V406 F655 V699 Q717 C719 | I404-L732 HydrophobicContact CG2-CD2 3.77Å; V406-L732 HydrophobicContact CG2-CD2 3.51Å; V406-L732 HydrophobicContact CG2-CG 3.88Å; F655-L732 HydrophobicContact CD1-CD1 3.79Å; F655-L732 HydrophobicContact CE1-CD1 3.55Å; F655-L732 HydrophobicContact CZ-CD1 4.09Å; V699-L732 HydrophobicContact CG1-CD2 4.43Å; Q717-L732 PolarHBondContact O-N 2.91Å; Q717-L732 PolarHBondContact OE1-O 3.14Å; C719-L732 HydrophobicContact CB-CD1 4.3Å |
| 733 | D | 68.3 | Low | 78 | Confident | 63 Ų | 63 | 51.5 Ų | 51.5 | 34% | 0.337 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -71.7 | 160.5 | 173.2 | -157.6 | -4.8 | 0 | 0 | 0 | 110.2 | C405 V731 | C405-D733 WeakPolarHBondContact O-CB 3.41Å; C405-D733 PolarHBondContact O-N 3.33Å; V731-D733 PolarHBondContact O-N 2.87Å |
| 734 | N | 61.8 | Low | 78.3 | Confident | 95 Ų | 95 | 50.5 Ų | 50.5 | 51% | 0.508 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -58.4 | 150.5 | 172.5 | -80.2 | -33.3 | 0 | 0 | 0 | 110.1 | Q736 | N734-Q736 VanDerWaalsContact C-N 3.29Å; N734-Q736 PolarHBondContact O-N 2.79Å |
| 735 | V | 58.6 | Low | 78.8 | Confident | 49 Ų | 49 | 50 Ų | 50 | 30% | 0.297 | 24% | 0.238 | S | C | . | . | trans | -66.7 | 89.9 | 178.6 | -170.6 | 0 | 0 | 0 | 0 | 109.8 | I404 Y676 Y688 | I404-V735 HydrophobicContact CD1-CB 4.48Å; I404-V735 HydrophobicContact CD1-CG1 4.25Å; I404-V735 HydrophobicContact CD1-CG2 3.78Å; I404-V735 HydrophobicContact CG1-CB 4.37Å; I404-V735 HydrophobicContact CG1-CG1 4.15Å; I404-V735 HydrophobicContact CG1-CG2 4.11Å; Y676-V735 HydrophobicContact CE1-CG2 3.82Å; Y688-V735 HydrophobicContact CE1-CG1 3.98Å | ||
| 736 | Q | 55 | Low | 79 | Confident | 97 Ų | 97 | 45.4 Ų | 45.4 | 45% | 0.453 | 22% | 0.222 | S | C | . | . | trans | -92.2 | 149 | 171 | -64.3 | -174.1 | 1.2 | 0 | 0 | 109.3 | N734 | N734-Q736 VanDerWaalsContact C-N 3.29Å; N734-Q736 PolarHBondContact O-N 2.79Å | ||
| 737 | R | 63.5 | Low | 79.2 | Confident | 127 Ų | 127 | 42.9 Ų | 42.9 | 48% | 0.479 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -65.6 | -43.7 | 175.2 | -71.3 | -171.1 | -178.4 | 174.1 | 0.5 | 111.1 | E1134 H1180 | R737-E1134 IonicContact CZ-OE2 3.56Å; R737-E1134 IonicContact NH1-OE2 3.48Å; R737-E1134 PolarHBondContact NH1-OE2 3.33Å; R737-E1134 IonicContact NH2-OE2 2.78Å; R737-H1180 PolarHBondContact NH1-CE1 2.91Å; R737-H1180 PolarHBondContact NH1-NE2 3.45Å; R737-H1180 VanDerWaalsContact NH1-NE2 3.16Å |
| 738 | L | 72.8 | Confident | 79.3 | Confident | 15 Ų | 15 | 43.4 Ų | 43.4 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 129.8 | -179.4 | -66 | 175 | 0 | 0 | 0 | 110.6 | A9 V400 S401 I1051 | A9-L738 HydrophobicContact CB-CD1 3.88Å; V400-L738 HydrophobicContact CG1-CB 4.28Å; V400-L738 HydrophobicContact CG1-CD1 4.41Å; V400-L738 HydrophobicContact CG1-CD2 4.25Å; S401-L738 WeakPolarHBondContact O-CA 3.16Å; L738-I1051 HydrophobicContact CD2-CG2 3.65Å |
| 739 | H | 76 | Confident | 79.7 | Confident | 34 Ų | 34 | 43.1 Ų | 43.1 | 16% | 0.157 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 131.2 | 172 | 179.2 | 75.2 | 0 | 0 | 0 | 109.8 | V400 S401 C405 | V400-H739 WeakPolarHBondContact CA-O 3.39Å; S401-H739 PolarHBondContact N-O 2.84Å; S401-H739 PolarHBondContact O-N 2.9Å; S401-H739 PolarHBondContact OG-O 2.84Å; C405-H739 HydrophobicContact CB-CB 4.49Å; C405-H739 PolarHBondContact SG-NE2 2.76Å |
| 740 | V | 82.2 | Confident | 80 | Confident | 35 Ų | 35 | 45.7 Ų | 45.7 | 21% | 0.212 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 120.2 | 178.3 | -176 | 0 | 0 | 0 | 0 | 109.4 | L366 H398 V400 | L366-V740 HydrophobicContact CD1-CG1 4.21Å; L366-V740 HydrophobicContact CD2-CG1 4.06Å; L366-V740 HydrophobicContact CD2-CG2 4.43Å; L366-V740 HydrophobicContact CG-CG1 4.31Å; H398-V740 HydrophobicContact CB-CG1 4.06Å; V400-V740 HydrophobicContact CG1-CG2 4.31Å; V400-V740 HydrophobicContact CG2-CG1 4.31Å; V400-V740 HydrophobicContact CG2-CG2 4.06Å |
| 741 | R | 83.9 | Confident | 80.5 | Confident | 131 Ų | 131 | 49.4 Ų | 49.4 | 49% | 0.494 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 125.6 | 173.9 | 175.7 | -177.9 | 171.6 | -169.7 | -3.4 | 110.3 | H398 V399 | H398-R741 CarbonylContact C-O 3.58Å; H398-R741 WeakPolarHBondContact CA-O 3.44Å; V399-R741 HydrophobicContact CB-CB 4.38Å; V399-R741 PolarHBondContact N-O 2.64Å; V399-R741 PolarHBondContact O-N 2.97Å |
| 742 | R | 86.8 | Confident | 81.3 | Confident | 87 Ų | 87 | 48.4 Ų | 48.4 | 33% | 0.328 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 138.1 | 174.1 | -173.7 | 175.4 | -177.6 | -103.9 | 8.7 | 111.2 | D339 E362 | D339-R742 IonicContact OD2-CZ 3.52Å; D339-R742 IonicContact OD2-NE 3.84Å; D339-R742 PolarHBondContact OD2-NE 3.08Å; D339-R742 IonicContact OD2-NH2 3.36Å; D339-R742 PolarHBondContact OD2-NH2 2.77Å; E362-R742 IonicContact OE1-CZ 2.87Å |
| 743 | V | 89.9 | Confident | 82.2 | Confident | 14 Ų | 14 | 47.9 Ų | 47.9 | 9% | 0.085 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 98.4 | 169.7 | 178.1 | 0 | 0 | 0 | 0 | 106.5 | S396 L397 V399 L745 M822 F827 | S396-V743 WeakPolarHBondContact CA-O 3.23Å; S396-V743 WeakPolarHBondContact CB-O 3.41Å; L397-V743 HydrophobicContact CB-CB 4.15Å; L397-V743 PolarHBondContact N-O 3.4Å; L397-V743 PolarHBondContact O-N 2.82Å; V399-V743 HydrophobicContact CG2-CG2 4.27Å; V743-L745 PolarHBondContact O-N 2.84Å; V743-M822 HydrophobicContact CG1-CE 4.3Å; V743-F827 HydrophobicContact CG1-CB 3.77Å; V743-F827 HydrophobicContact CG1-CD1 4.39Å; V743-F827 HydrophobicContact CG1-CG 4.21Å; V743-F827 HydrophobicContact CG2-CB 4.22Å; V743-F827 HydrophobicContact CG2-CD1 4.23Å; V743-F827 HydrophobicContact CG2-CD2 4.12Å; V743-F827 HydrophobicContact CG2-CG 3.93Å |
| 744 | P | 88.9 | Confident | 83.4 | Confident | 43 Ų | 43 | 46.8 Ų | 46.8 | 28% | 0.279 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 133.9 | -176.5 | 27.2 | -32.7 | 0 | 0 | 0 | 110.9 | M783 | P744-M783 HydrophobicContact CB-CE 3.73Å; P744-M783 HydrophobicContact CB-SD 3.43Å; P744-M783 WeakPolarHBondContact CB-SD 2.92Å; P744-M783 HydrophobicContact CG-CE 3.51Å; P744-M783 HydrophobicContact CG-SD 3.82Å |
| 745 | L | 90.6 | Very high | 84.7 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | trans | -111.5 | -25.2 | 173.8 | -61.2 | -178.1 | 0 | 0 | 0 | 112.5 | G395 L397 V743 E747 P749 T765 P785 A786 M822 | G395-L745 PolarHBondContact O-N 2.96Å; G395-L745 VanDerWaalsContact O-N 3.13Å; L397-L745 HydrophobicContact CD1-CD1 4.24Å; L397-L745 HydrophobicContact CD2-CD1 4.42Å; L397-L745 HydrophobicContact CG-CD1 3.84Å; L397-L745 HydrophobicContact CG-CG 4.37Å; V743-L745 PolarHBondContact O-N 2.84Å; L745-E747 HydrophobicContact CB-CG 4.07Å; L745-E747 PolarHBondContact O-N 2.96Å; L745-E747 VanDerWaalsContact O-N 3.12Å; L745-P749 HydrophobicContact CD1-CB 3.88Å; L745-P749 HydrophobicContact CD1-CG 3.98Å; L745-T765 HydrophobicContact CD1-CG2 4.28Å; L745-P785 CarbonylContact O-C 3.58Å; L745-P785 WeakPolarHBondContact O-CA 3.25Å; L745-A786 HydrophobicContact CB-CB 4.02Å; L745-A786 HydrophobicContact CD2-CB 3.68Å; L745-A786 HydrophobicContact CG-CB 4.42Å; L745-A786 PolarHBondContact O-N 2.83Å; L745-M822 HydrophobicContact CD2-CE 3.87Å; L745-M822 HydrophobicContact CD2-SD 4.27Å | ||
| 746 | A | 87.7 | Confident | 86 | Confident | 31 Ų | 31 | 42.5 Ų | 42.5 | 26% | 0.256 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 57 | 18 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114 | G395 M783 | G395-A746 PolarHBondContact O-N 2.87Å; A746-M783 HydrophobicContact CB-CB 3.77Å; A746-M783 WeakPolarHBondContact CB-O 3.3Å |
| 747 | E | 90 | Very high | 87.4 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -148.7 | 155.6 | 172.9 | 55.6 | -174.3 | -148.9 | 0 | 0 | 108.5 | G395 L745 P749 T765 R767 P785 A786 S787 L820 | G395-E747 CarbonylContact C-O 3.58Å; G395-E747 VanDerWaalsContact CA-O 3.3Å; G395-E747 WeakPolarHBondContact CA-O 2.96Å; L745-E747 HydrophobicContact CB-CG 4.07Å; L745-E747 PolarHBondContact O-N 2.96Å; L745-E747 VanDerWaalsContact O-N 3.12Å; E747-P749 WeakPolarHBondContact O-CD 3.37Å; E747-T765 HydrophobicContact CG-CG2 4.06Å; E747-T765 WeakPolarHBondContact OE1-CB 3.49Å; E747-T765 PolarHBondContact OE1-OG1 3.31Å; E747-R767 HydrophobicContact CB-CB 3.8Å; E747-P785 WeakPolarHBondContact OE2-CB 3.32Å; E747-A786 HydrophobicContact CG-CB 4.37Å; E747-S787 WeakPolarHBondContact OE1-CB 3.33Å; E747-S787 PolarHBondContact OE1-N 2.88Å; E747-S787 WeakPolarHBondContact OE2-CB 3.45Å; E747-S787 PolarHBondContact OE2-OG 3.46Å; E747-L820 WeakPolarHBondContact OE1-CD1 3.43Å |
| 748 | F | 92.8 | Very high | 88.4 | Confident | 19 Ų | 19 | 38.6 Ų | 38.6 | 8% | 0.083 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 113 | -170.3 | 175.1 | -135.2 | 0 | 0 | 0 | 112.2 | V370 G390 H391 P392 R750 T765 V766 | V370-F748 HydrophobicContact CB-CE2 4.34Å; V370-F748 HydrophobicContact CB-CZ 4.26Å; V370-F748 HydrophobicContact CG1-CZ 4.05Å; V370-F748 HydrophobicContact CG2-CE2 3.8Å; V370-F748 HydrophobicContact CG2-CZ 3.81Å; G390-F748 VanDerWaalsContact C-CD2 3.44Å; G390-F748 WeakPolarHBondContact O-CD2 3.2Å; G390-F748 WeakPolarHBondContact O-CE2 3.18Å; H391-F748 VanDerWaalsContact C-CB 3.48Å; H391-F748 WeakPolarHBondContact O-CB 3.44Å; P392-F748 HydrophobicContact CG-CB 4.29Å; P392-F748 HydrophobicContact CG-CD1 3.87Å; P392-F748 HydrophobicContact CG-CG 4.39Å; F748-R750 HydrophobicContact CD1-CG 4Å; F748-R750 HydrophobicContact CE1-CG 3.5Å; F748-R750 VanDerWaalsContact CE1-CG 3.5Å; F748-R750 HydrophobicContact CZ-CG 4.12Å; F748-R750 PolarHBondContact O-N 2.99Å; F748-T765 CarbonylContact O-C 3.56Å; F748-T765 WeakPolarHBondContact O-CA 3.4Å; F748-V766 VanDerWaalsContact CB-O 3.23Å; F748-V766 WeakPolarHBondContact CB-O 3.4Å; F748-V766 HydrophobicContact CD1-CB 4.46Å; F748-V766 PolarHBondContact N-O 3.16Å; F748-V766 PolarHBondContact O-N 3.06Å |
| 749 | P | 95.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 119.5 | 170.5 | 31.3 | -32.8 | 0 | 0 | 0 | 110.2 | C388 T389 S396 L397 L745 E747 V763 | C388-P749 HydrophobicContact CB-CB 3.98Å; C388-P749 HydrophobicContact CB-CG 3.95Å; C388-P749 WeakPolarHBondContact CB-O 3.43Å; T389-P749 WeakPolarHBondContact O-CD 3.44Å; S396-P749 WeakPolarHBondContact O-CG 3.16Å; L397-P749 HydrophobicContact CD2-CB 3.73Å; L397-P749 HydrophobicContact CD2-CG 3.85Å; L745-P749 HydrophobicContact CD1-CB 3.88Å; L745-P749 HydrophobicContact CD1-CG 3.98Å; E747-P749 WeakPolarHBondContact O-CD 3.37Å; P749-V763 HydrophobicContact CB-CG1 3.8Å |
| 750 | R | 94 | Very high | 89.8 | Confident | 65 Ų | 65 | 38.3 Ų | 38.3 | 25% | 0.245 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -44.2 | -178.9 | -114.5 | -169.7 | 173.8 | 164.9 | 3.9 | 113 | F748 I764 E840 C841 | F748-R750 HydrophobicContact CD1-CG 4Å; F748-R750 HydrophobicContact CE1-CG 3.5Å; F748-R750 VanDerWaalsContact CE1-CG 3.5Å; F748-R750 HydrophobicContact CZ-CG 4.12Å; F748-R750 PolarHBondContact O-N 2.99Å; R750-I764 HydrophobicContact CB-CD1 4.15Å; R750-I764 HydrophobicContact CB-CG1 4Å; R750-I764 PolarHBondContact N-O 3.47Å; R750-E840 IonicContact CZ-OE2 2.7Å; R750-E840 IonicContact NH1-OE2 2.72Å; R750-E840 PolarHBondContact NH1-OE2 3.28Å; R750-E840 IonicContact NH2-OE2 3.91Å; R750-E840 PolarHBondContact NH2-OE2 2.77Å; R750-C841 VanDerWaalsContact CD-O 3.25Å; R750-C841 WeakPolarHBondContact CD-O 3.28Å; R750-C841 PolarHBondContact NH1-O 2.84Å |
| 751 | R | 95.5 | Very high | 90.4 | Very high | 78 Ų | 78 | 36.7 Ų | 36.7 | 29% | 0.294 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 150.8 | 179.7 | -58 | -72.8 | 179.3 | -114 | 7.4 | 110.9 | V370 D371 V763 I764 L844 | V370-R751 PolarHBondContact O-NH1 2.85Å; D371-R751 WeakPolarHBondContact OD2-CA 3.43Å; D371-R751 WeakPolarHBondContact OD2-CD 3.39Å; R751-V763 WeakPolarHBondContact O-CA 3.33Å; R751-I764 HydrophobicContact CB-CD1 3.75Å; R751-I764 HydrophobicContact CB-CG1 3.7Å; R751-I764 HydrophobicContact CG-CD1 3.75Å; R751-I764 HydrophobicContact CG-CG1 4.22Å; R751-I764 PolarHBondContact O-N 3.36Å; R751-I764 VanDerWaalsContact O-N 3.07Å; R751-L844 HydrophobicContact CB-CB 3.96Å |
| 752 | I | 96.4 | Very high | 91 | Very high | 11 Ų | 11 | 30.4 Ų | 30.4 | 6% | 0.056 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 139.9 | 177.1 | -175.3 | 164 | 0 | 0 | 0 | 110.8 | D371 L373 V386 C388 Y761 G762 V763 | D371-I752 PolarHBondContact OD2-N 3.08Å; L373-I752 HydrophobicContact CB-CG2 4.01Å; V386-I752 HydrophobicContact CB-CD1 4.13Å; V386-I752 HydrophobicContact CG1-CD1 3.53Å; C388-I752 VanDerWaalsContact SG-CG2 3.57Å; I752-Y761 HydrophobicContact CD1-CD1 4.21Å; I752-Y761 HydrophobicContact CD1-CG 4.32Å; I752-Y761 HydrophobicContact CG1-CD1 4.44Å; I752-G762 WeakPolarHBondContact CA-O 3.37Å; I752-V763 HydrophobicContact CD1-CG2 4.13Å; I752-V763 HydrophobicContact CG1-CG2 4.06Å |
| 753 | A | 95.7 | Very high | 91.5 | Very high | 8 Ų | 8 | 26.3 Ų | 26.3 | 7% | 0.066 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 154.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y761 G762 L844 Y857 | A753-Y761 CarbonylContact O-C 3.55Å; A753-Y761 WeakPolarHBondContact O-CA 3.38Å; A753-G762 PolarHBondContact N-O 3.18Å; A753-G762 PolarHBondContact O-N 3.46Å; A753-L844 HydrophobicContact CB-CD2 3.84Å; A753-L844 HydrophobicContact CB-CG 3.83Å; A753-Y857 HydrophobicContact CB-CE1 4.26Å |
| 754 | Q | 92.9 | Very high | 91.8 | Very high | 39 Ų | 39 | 25.6 Ų | 25.6 | 18% | 0.182 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 142.6 | 179 | 168.1 | 171.5 | 67.3 | 0 | 0 | 111.7 | L373 V756 Y761 R824 | L373-Q754 HydrophobicContact CD2-CB 3.4Å; L373-Q754 VanDerWaalsContact CD2-CB 3.4Å; L373-Q754 HydrophobicContact CD2-CG 4.44Å; Q754-V756 HydrophobicContact CG-CG2 4.11Å; Q754-Y761 HydrophobicContact CB-CD1 3.87Å; Q754-Y761 HydrophobicContact CB-CE1 3.96Å; Q754-Y761 HydrophobicContact CG-CD1 4.31Å; Q754-Y761 HydrophobicContact CG-CE1 4.11Å; Q754-Y761 VanDerWaalsContact NE2-CE1 3.29Å; Q754-R824 VanDerWaalsContact NE2-CZ 3.28Å |
| 755 | Q | 90.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 111.8 | 161.7 | -76 | -174.2 | -18.5 | 0 | 0 | 109.6 | T758 S759 T760 S846 P855 Y857 | Q755-T758 WeakPolarHBondContact CB-OG1 3.32Å; Q755-T758 PolarHBondContact OE1-OG1 2.92Å; Q755-S759 PolarHBondContact O-N 3.45Å; Q755-S759 VanDerWaalsContact O-N 3.17Å; Q755-T760 PolarHBondContact N-O 2.83Å; Q755-T760 PolarHBondContact O-N 2.79Å; Q755-T760 VanDerWaalsContact O-N 3.11Å; Q755-S846 WeakPolarHBondContact CG-OG 3.49Å; Q755-S846 PolarHBondContact NE2-OG 3.07Å; Q755-S846 VanDerWaalsContact NE2-OG 3.07Å; Q755-P855 HydrophobicContact CB-CG 4.4Å; Q755-P855 HydrophobicContact CG-CB 4.13Å; Q755-P855 HydrophobicContact CG-CG 4Å; Q755-P855 PolarHBondContact NE2-O 3.03Å; Q755-Y857 VanDerWaalsContact CD-CZ 3.46Å; Q755-Y857 HydrophobicContact CG-CE1 3.93Å; Q755-Y857 HydrophobicContact CG-CE2 3.91Å; Q755-Y857 WeakPolarHBondContact CG-OH 3.48Å |
| 756 | V | 84.9 | Confident | 92.2 | Very high | 53 Ų | 53 | 23.6 Ų | 23.6 | 32% | 0.321 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -39.9 | 179.4 | 176.1 | 0 | 0 | 0 | 0 | 110.1 | Q754 T758 S759 | Q754-V756 HydrophobicContact CG-CG2 4.11Å; V756-T758 VanDerWaalsContact C-N 3.35Å; V756-T758 PolarHBondContact O-N 2.64Å; V756-S759 PolarHBondContact O-N 2.85Å; V756-S759 VanDerWaalsContact O-N 3.14Å |
| 757 | E | 84.8 | Confident | 92.2 | Very high | 120 Ų | 120 | 23.9 Ų | 23.9 | 56% | 0.561 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -37.2 | -175.6 | -60.7 | 82.6 | 172.4 | 0 | 0 | 112.3 | H848 P855 | E757-H848 IonicContact OE1-CE1 2.71Å; E757-H848 PolarHBondContact OE1-CE1 2.87Å; E757-H848 IonicContact OE1-NE2 2.98Å; E757-P855 HydrophobicContact CB-CG 4.05Å; E757-P855 HydrophobicContact CG-CG 4.26Å |
| 758 | T | 85 | Confident | 91.6 | Very high | 22 Ų | 22 | 24.6 Ų | 24.6 | 14% | 0.135 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -5.2 | 177 | 62.1 | 0 | 0 | 0 | 0 | 112.8 | Q755 V756 T760 R885 | Q755-T758 WeakPolarHBondContact CB-OG1 3.32Å; Q755-T758 PolarHBondContact OE1-OG1 2.92Å; V756-T758 VanDerWaalsContact C-N 3.35Å; V756-T758 PolarHBondContact O-N 2.64Å; T758-T760 VanDerWaalsContact C-N 3.3Å; T758-T760 WeakPolarHBondContact O-CG2 3.43Å; T758-T760 PolarHBondContact O-N 3.18Å; T758-T760 PolarHBondContact OG1-OG1 2.91Å; T758-R885 WeakPolarHBondContact O-CD 3.33Å; T758-R885 PolarHBondContact O-NH1 2.99Å |
| 759 | S | 86.4 | Confident | 90.7 | Very high | 43 Ų | 43 | 26.8 Ų | 26.8 | 30% | 0.301 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 47.7 | -172.2 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | Q755 V756 R824 R885 | Q755-S759 PolarHBondContact O-N 3.45Å; Q755-S759 VanDerWaalsContact O-N 3.17Å; V756-S759 PolarHBondContact O-N 2.85Å; V756-S759 VanDerWaalsContact O-N 3.14Å; S759-R824 VanDerWaalsContact C-CB 3.49Å; S759-R824 WeakPolarHBondContact O-CB 3.49Å; S759-R824 PolarHBondContact O-N 2.81Å; S759-R885 PolarHBondContact O-NH1 3.12Å |
| 760 | T | 90.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 157.3 | 179.2 | 63.5 | 0 | 0 | 0 | 0 | 112.8 | Q755 T758 I821 M822 L830 Y857 Y883 | Q755-T760 PolarHBondContact N-O 2.83Å; Q755-T760 PolarHBondContact O-N 2.79Å; Q755-T760 VanDerWaalsContact O-N 3.11Å; T758-T760 VanDerWaalsContact C-N 3.3Å; T758-T760 WeakPolarHBondContact O-CG2 3.43Å; T758-T760 PolarHBondContact O-N 3.18Å; T758-T760 PolarHBondContact OG1-OG1 2.91Å; T760-I821 HydrophobicContact CG2-CG2 3.8Å; T760-M822 CarbonylContact C-O 3.49Å; T760-M822 VanDerWaalsContact CA-O 3.23Å; T760-M822 WeakPolarHBondContact CA-O 3.45Å; T760-M822 WeakPolarHBondContact CB-O 3.45Å; T760-L830 HydrophobicContact CG2-CD1 4.11Å; T760-Y857 PolarHBondContact O-OH 2.97Å; T760-Y857 PolarHBondContact OG1-OH 2.83Å; T760-Y883 HydrophobicContact CG2-CD1 4.14Å; T760-Y883 HydrophobicContact CG2-CE1 3.76Å |
| 761 | Y | 94.7 | Very high | 87.2 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 136.9 | 160.7 | -62.1 | -64.6 | 0 | 0 | 0 | 109.6 | L373 V375 I752 A753 Q754 I821 M822 R824 F827 | L373-Y761 HydrophobicContact CD2-CD1 4.13Å; L373-Y761 HydrophobicContact CD2-CE1 3.84Å; V375-Y761 HydrophobicContact CG2-CE1 3.92Å; I752-Y761 HydrophobicContact CD1-CD1 4.21Å; I752-Y761 HydrophobicContact CD1-CG 4.32Å; I752-Y761 HydrophobicContact CG1-CD1 4.44Å; A753-Y761 CarbonylContact O-C 3.55Å; A753-Y761 WeakPolarHBondContact O-CA 3.38Å; Q754-Y761 HydrophobicContact CB-CD1 3.87Å; Q754-Y761 HydrophobicContact CB-CE1 3.96Å; Q754-Y761 HydrophobicContact CG-CD1 4.31Å; Q754-Y761 HydrophobicContact CG-CE1 4.11Å; Q754-Y761 VanDerWaalsContact NE2-CE1 3.29Å; Y761-I821 WeakPolarHBondContact O-CA 3.37Å; Y761-M822 PolarHBondContact N-O 2.91Å; Y761-M822 PolarHBondContact O-N 3.19Å; Y761-R824 HydrophobicContact CD2-CB 4.44Å; Y761-R824 HydrophobicContact CE1-CG 4.42Å; Y761-R824 HydrophobicContact CE2-CB 4.1Å; Y761-R824 HydrophobicContact CE2-CG 3.83Å; Y761-R824 WeakPolarHBondContact CE2-O 3.25Å; Y761-F827 HydrophobicContact CD2-CD1 4.33Å; Y761-F827 AromaticContact CD2-CE1 3.94Å; Y761-F827 HydrophobicContact CD2-CE1 3.94Å; Y761-F827 HydrophobicContact CE2-CD1 4.4Å; Y761-F827 AromaticContact CE2-CE1 3.68Å; Y761-F827 HydrophobicContact CE2-CE1 3.68Å; Y761-F827 AromaticContact CE2-CZ 3.84Å; Y761-F827 HydrophobicContact CE2-CZ 3.84Å |
| 762 | G | 96.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 132.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | I752 A753 L820 L844 Y857 | I752-G762 WeakPolarHBondContact CA-O 3.37Å; A753-G762 PolarHBondContact N-O 3.18Å; A753-G762 PolarHBondContact O-N 3.46Å; G762-L820 CarbonylContact C-O 3.6Å; G762-L820 WeakPolarHBondContact CA-O 3.18Å; G762-L844 WeakPolarHBondContact O-CD2 3.48Å; G762-Y857 PolarHBondContact N-OH 3.2Å |
| 763 | V | 97.6 | Very high | 82.7 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 126.5 | 177.4 | -174.6 | 0 | 0 | 0 | 0 | 108.5 | L397 P749 R751 I752 T765 L820 M822 | L397-V763 HydrophobicContact CD1-CG2 4.26Å; P749-V763 HydrophobicContact CB-CG1 3.8Å; R751-V763 WeakPolarHBondContact O-CA 3.33Å; I752-V763 HydrophobicContact CD1-CG2 4.13Å; I752-V763 HydrophobicContact CG1-CG2 4.06Å; V763-T765 HydrophobicContact CG1-CG2 3.93Å; V763-L820 HydrophobicContact CB-CB 4.41Å; V763-L820 PolarHBondContact N-O 3.3Å; V763-L820 PolarHBondContact O-N 2.77Å; V763-M822 HydrophobicContact CB-SD 4.48Å; V763-M822 HydrophobicContact CG2-SD 3.86Å |
| 764 | I | 96.7 | Very high | 80.1 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 130.3 | 168.2 | 56.7 | 173 | 0 | 0 | 0 | 109.4 | R750 R751 S818 F819 C841 L844 V859 | R750-I764 HydrophobicContact CB-CD1 4.15Å; R750-I764 HydrophobicContact CB-CG1 4Å; R750-I764 PolarHBondContact N-O 3.47Å; R751-I764 HydrophobicContact CB-CD1 3.75Å; R751-I764 HydrophobicContact CB-CG1 3.7Å; R751-I764 HydrophobicContact CG-CD1 3.75Å; R751-I764 HydrophobicContact CG-CG1 4.22Å; R751-I764 PolarHBondContact O-N 3.36Å; R751-I764 VanDerWaalsContact O-N 3.07Å; I764-S818 CarbonylContact C-O 3.49Å; I764-S818 WeakPolarHBondContact CA-O 3.42Å; I764-F819 HydrophobicContact CG2-CB 4.4Å; I764-F819 HydrophobicContact CG2-CD2 3.96Å; I764-C841 HydrophobicContact CB-CB 3.7Å; I764-C841 HydrophobicContact CD1-CB 3.83Å; I764-C841 HydrophobicContact CG1-CB 4.27Å; I764-C841 HydrophobicContact CG2-CB 3.97Å; I764-L844 HydrophobicContact CD1-CB 4.26Å; I764-L844 HydrophobicContact CG1-CB 4.35Å; I764-L844 HydrophobicContact CG2-CB 4.22Å; I764-L844 HydrophobicContact CG2-CD1 4.47Å; I764-L844 HydrophobicContact CG2-CD2 4.37Å; I764-V859 HydrophobicContact CG2-CG1 4.07Å |
| 765 | T | 95.7 | Very high | 78.2 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 152.2 | -177.9 | 60.9 | 0 | 0 | 0 | 0 | 111.5 | L745 E747 F748 V763 S817 S818 L820 | L745-T765 HydrophobicContact CD1-CG2 4.28Å; E747-T765 HydrophobicContact CG-CG2 4.06Å; E747-T765 WeakPolarHBondContact OE1-CB 3.49Å; E747-T765 PolarHBondContact OE1-OG1 3.31Å; F748-T765 CarbonylContact O-C 3.56Å; F748-T765 WeakPolarHBondContact O-CA 3.4Å; V763-T765 HydrophobicContact CG1-CG2 3.93Å; T765-S817 CarbonylContact O-C 3.55Å; T765-S817 VanDerWaalsContact O-CA 3.25Å; T765-S817 WeakPolarHBondContact O-CA 3.35Å; T765-S818 PolarHBondContact N-O 3.25Å; T765-S818 PolarHBondContact O-N 3.12Å; T765-L820 HydrophobicContact CG2-CD1 3.66Å; T765-L820 HydrophobicContact CG2-CG 4.08Å |
| 766 | V | 91.9 | Very high | 76.4 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 135.6 | 172.8 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | P392 F748 K815 I816 | P392-V766 HydrophobicContact CG-CG1 4.34Å; F748-V766 VanDerWaalsContact CB-O 3.23Å; F748-V766 WeakPolarHBondContact CB-O 3.4Å; F748-V766 HydrophobicContact CD1-CB 4.46Å; F748-V766 PolarHBondContact N-O 3.16Å; F748-V766 PolarHBondContact O-N 3.06Å; V766-K815 HydrophobicContact CG1-CB 4.44Å; V766-I816 WeakPolarHBondContact CA-O 3.33Å |
| 767 | R | 86.9 | Confident | 74.9 | Confident | 36 Ų | 36 | 51 Ų | 51 | 14% | 0.136 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 148.3 | 170.8 | 68.1 | -172.9 | -165.8 | 177.3 | 15.8 | 110.9 | E747 S787 E788 K815 I816 | E747-R767 HydrophobicContact CB-CB 3.8Å; R767-S787 PolarHBondContact NH1-OG 2.82Å; R767-S787 VanDerWaalsContact NH1-OG 3.13Å; R767-E788 IonicContact CZ-OE1 2.68Å; R767-E788 VanDerWaalsContact NH1-CD 3.33Å; R767-E788 IonicContact NH1-OE1 2.82Å; R767-E788 PolarHBondContact NH1-OE1 2.93Å; R767-E788 IonicContact NH2-OE1 3.3Å; R767-E788 PolarHBondContact NH2-OE1 2.9Å; R767-K815 WeakPolarHBondContact O-CA 3.27Å; R767-I816 HydrophobicContact CG-CB 3.94Å; R767-I816 PolarHBondContact N-O 2.86Å; R767-I816 PolarHBondContact O-N 2.94Å |
| 768 | C | 78.4 | Confident | 73.3 | Confident | 17 Ų | 17 | 45.6 Ų | 45.6 | 12% | 0.115 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 120.6 | 168.2 | -69 | 0 | 0 | 0 | 0 | 108.9 | L291 P392 Y813 | L291-C768 HydrophobicContact CD2-CB 4.34Å; P392-C768 WeakPolarHBondContact CB-SG 3.39Å; P392-C768 PolarHBondContact O-N 2.95Å; C768-Y813 HydrophobicContact CB-CD2 4.22Å; C768-Y813 WeakPolarHBondContact SG-CD2 3.48Å |
| 769 | D | 72.7 | Confident | 71.6 | Confident | 64 Ų | 64 | 50.9 Ų | 50.9 | 34% | 0.342 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 113.2 | 166.5 | -174.6 | 2.5 | 0 | 0 | 0 | 108.8 | G771 K814 I816 | D769-G771 PolarHBondContact O-N 2.99Å; D769-G771 VanDerWaalsContact O-N 3.15Å; D769-G771 PolarHBondContact OD1-N 3.22Å; D769-K814 HydrophobicContact CB-CB 4.47Å; D769-K814 PolarHBondContact N-O 2.86Å; D769-K814 PolarHBondContact O-N 2.98Å; D769-I816 HydrophobicContact CB-CD1 3.75Å; D769-I816 HydrophobicContact CB-CG1 4.43Å |
| 770 | D | 62.3 | Low | 69.8 | Low | 27 Ų | 27 | 54.4 Ų | 54.4 | 14% | 0.144 | 29% | 0.289 | C | S | . | . | trans | -72.7 | -0.4 | -178.6 | -35 | -22.9 | 0 | 0 | 0 | 111.5 | H293 K316 Y772 K775 | H293-D770 IonicContact CE1-OD2 3.98Å; H293-D770 IonicContact NE2-OD2 3.92Å; K316-D770 IonicContact NZ-OD2 2.81Å; K316-D770 PolarHBondContact NZ-OD2 2.93Å; K316-D770 VanDerWaalsContact NZ-OD2 3.08Å; D770-Y772 WeakPolarHBondContact O-CD2 3.41Å; D770-Y772 PolarHBondContact O-N 3.07Å; D770-K775 VanDerWaalsContact CB-NZ 3.26Å; D770-K775 WeakPolarHBondContact OD2-CE 3.37Å; D770-K775 IonicContact OD2-NZ 3.63Å; D770-K775 PolarHBondContact OD2-NZ 3.11Å | ||
| 771 | G | 55.2 | Low | 68.3 | Low | 53 Ų | 53 | 56.7 Ų | 56.7 | 55% | 0.546 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 73 | -6.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | D769 | D769-G771 PolarHBondContact O-N 2.99Å; D769-G771 VanDerWaalsContact O-N 3.15Å; D769-G771 PolarHBondContact OD1-N 3.22Å |
| 772 | Y | 52.4 | Low | 66.5 | Low | 148 Ų | 148 | 61.7 Ų | 61.7 | 58% | 0.58 | 32% | 0.324 | S | S | * | . | trans | -113.7 | 106.5 | 179 | -65.2 | -77.7 | 0 | 0 | 0 | 110.4 | D770 N774 K775 | D770-Y772 WeakPolarHBondContact O-CD2 3.41Å; D770-Y772 PolarHBondContact O-N 3.07Å; Y772-N774 PolarHBondContact O-N 3.44Å; Y772-N774 VanDerWaalsContact O-N 3.09Å; Y772-K775 WeakPolarHBondContact O-CE 3.3Å | ||
| 773 | G | 45.1 | Very low | 65.2 | Low | 84 Ų | 84 | 65.9 Ų | 65.9 | 87% | 0.866 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -75.6 | 18.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 774 | N | 41.2 | Very low | 64.4 | Low | 162 Ų | 162 | 69.5 Ų | 69.5 | 87% | 0.866 | 37% | 0.366 | S | S | * | . | trans | -126.6 | 92.4 | 175.9 | -83.8 | -12.6 | 0 | 0 | 0 | 108.5 | Y772 | Y772-N774 PolarHBondContact O-N 3.44Å; Y772-N774 VanDerWaalsContact O-N 3.09Å | ||
| 775 | K | 52.8 | Low | 63.9 | Low | 58 Ų | 58 | 70.7 Ų | 70.7 | 25% | 0.252 | 37% | 0.374 | S | S | . | . | trans | -129.6 | 136.4 | 177.9 | -66.6 | 174.8 | -164.1 | 164 | 0 | 110.2 | D770 Y772 Y777 | D770-K775 VanDerWaalsContact CB-NZ 3.26Å; D770-K775 WeakPolarHBondContact OD2-CE 3.37Å; D770-K775 IonicContact OD2-NZ 3.63Å; D770-K775 PolarHBondContact OD2-NZ 3.11Å; Y772-K775 WeakPolarHBondContact O-CE 3.3Å; K775-Y777 HydrophobicContact CB-CD2 3.77Å; K775-Y777 HydrophobicContact CB-CE2 3.5Å; K775-Y777 VanDerWaalsContact CB-CE2 3.5Å; K775-Y777 HydrophobicContact CB-CG 4.48Å; K775-Y777 HydrophobicContact CD-CE1 4.12Å; K775-Y777 HydrophobicContact CD-CE2 3.83Å; K775-Y777 VanDerWaalsContact CD-CZ 3.47Å; K775-Y777 VanDerWaalsContact CD-OH 3.27Å; K775-Y777 WeakPolarHBondContact CD-OH 3.48Å; K775-Y777 HydrophobicContact CG-CE2 4.3Å; K775-Y777 PolarHBondContact NZ-OH 3.38Å; K775-Y777 VanDerWaalsContact NZ-OH 3.12Å; K775-Y777 PolarHBondContact O-N 2.93Å | ||
| 776 | R | 52.2 | Low | 63.6 | Low | 145 Ų | 145 | 70.7 Ų | 70.7 | 55% | 0.547 | 37% | 0.374 | S | S | . | . | trans | -83.6 | 84.1 | 165.1 | -70.3 | 178.4 | 172.9 | 155.6 | -7.2 | 107.5 | D355 | D355-R776 IonicContact OD1-CZ 2.98Å; D355-R776 IonicContact OD1-NE 2.67Å; D355-R776 PolarHBondContact OD1-NE 3.09Å | ||
| 777 | Y | 53.6 | Low | 63.4 | Low | 87 Ų | 87 | 70.7 Ų | 70.7 | 34% | 0.341 | 38% | 0.375 | S | S | . | . | trans | -74.2 | 157.7 | 167.7 | -62.7 | -89.8 | 0 | 0 | 0 | 108.7 | K316 K775 N779 E782 | K316-Y777 HydrophobicContact CB-CD1 4.24Å; K316-Y777 HydrophobicContact CD-CD1 3.91Å; K316-Y777 HydrophobicContact CD-CE1 3.69Å; K775-Y777 HydrophobicContact CB-CD2 3.77Å; K775-Y777 HydrophobicContact CB-CE2 3.5Å; K775-Y777 VanDerWaalsContact CB-CE2 3.5Å; K775-Y777 HydrophobicContact CB-CG 4.48Å; K775-Y777 HydrophobicContact CD-CE1 4.12Å; K775-Y777 HydrophobicContact CD-CE2 3.83Å; K775-Y777 VanDerWaalsContact CD-CZ 3.47Å; K775-Y777 VanDerWaalsContact CD-OH 3.27Å; K775-Y777 WeakPolarHBondContact CD-OH 3.48Å; K775-Y777 HydrophobicContact CG-CE2 4.3Å; K775-Y777 PolarHBondContact NZ-OH 3.38Å; K775-Y777 VanDerWaalsContact NZ-OH 3.12Å; K775-Y777 PolarHBondContact O-N 2.93Å; Y777-N779 PolarHBondContact O-N 2.89Å; Y777-N779 VanDerWaalsContact O-N 3.08Å; Y777-E782 WeakPolarHBondContact CB-OE1 3.31Å; Y777-E782 HydrophobicContact CD2-CG 4.18Å; Y777-E782 VanDerWaalsContact CD2-OE1 3.31Å; Y777-E782 WeakPolarHBondContact CD2-OE1 3.42Å; Y777-E782 HydrophobicContact CG-CG 3.93Å | ||
| 778 | L | 51.9 | Low | 63.4 | Low | 7 Ų | 7 | 73.6 Ų | 73.6 | 4% | 0.037 | 39% | 0.39 | C | S | . | . | trans | -59.9 | 116.5 | 166.6 | -72.9 | 171.7 | 0 | 0 | 0 | 107.6 | F315 K316 A317 L343 V357 E780 L781 E782 | F315-L778 HydrophobicContact CB-CD2 3.93Å; F315-L778 HydrophobicContact CB-CG 3.98Å; F315-L778 HydrophobicContact CD2-CD1 3.55Å; F315-L778 HydrophobicContact CD2-CD2 4.06Å; F315-L778 HydrophobicContact CD2-CG 3.84Å; F315-L778 HydrophobicContact CE2-CD1 4.01Å; F315-L778 HydrophobicContact CG-CD1 4.3Å; F315-L778 HydrophobicContact CG-CD2 3.98Å; F315-L778 HydrophobicContact CG-CG 4.13Å; K316-L778 WeakPolarHBondContact O-CD1 3.3Å; A317-L778 HydrophobicContact CB-CD1 4.36Å; L343-L778 HydrophobicContact CD1-CD1 4.37Å; V357-L778 HydrophobicContact CB-CD2 3.35Å; V357-L778 HydrophobicContact CG1-CD1 4.44Å; V357-L778 HydrophobicContact CG1-CD2 3.34Å; V357-L778 HydrophobicContact CG2-CD2 4.3Å; L778-E780 PolarHBondContact O-N 3.49Å; L778-L781 HydrophobicContact CB-CB 4.07Å; L778-L781 HydrophobicContact CB-CD1 4.06Å; L778-L781 HydrophobicContact CB-CG 4.14Å; L778-L781 HydrophobicContact CD1-CD1 3.5Å; L778-L781 VanDerWaalsContact CD1-CD1 3.5Å; L778-L781 HydrophobicContact CD1-CG 4.4Å; L778-L781 HydrophobicContact CG-CD1 4.36Å; L778-L781 CarbonylContact O-C 3.56Å; L778-L781 PolarHBondContact O-N 3.48Å; L778-E782 PolarHBondContact O-N 2.93Å | ||
| 779 | N | 48.4 | Very low | 63.8 | Low | 133 Ų | 133 | 77.5 Ų | 77.5 | 71% | 0.711 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -28.9 | -177.1 | -72.1 | -27.6 | 0 | 0 | 0 | 112.5 | Y777 | Y777-N779 PolarHBondContact O-N 2.89Å; Y777-N779 VanDerWaalsContact O-N 3.08Å |
| 780 | E | 49.7 | Very low | 64.4 | Low | 117 Ų | 117 | 74.8 Ų | 74.8 | 55% | 0.547 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -15.4 | 178.3 | -66.2 | 177 | 169.1 | 0 | 0 | 114 | V359 L778 | V359-E780 HydrophobicContact CG2-CB 4.44Å; V359-E780 PolarHBondContact N-OE2 3.47Å; L778-E780 PolarHBondContact O-N 3.49Å |
| 781 | L | 57.9 | Low | 65.3 | Low | 48 Ų | 48 | 78.9 Ų | 78.9 | 25% | 0.251 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -0.5 | 178.9 | -61.7 | 175.2 | 0 | 0 | 0 | 113.2 | Y341 V359 L778 M783 | Y341-L781 HydrophobicContact CE1-CD2 3.82Å; Y341-L781 HydrophobicContact CE2-CD1 4.48Å; V359-L781 HydrophobicContact CG2-CD1 4.41Å; V359-L781 HydrophobicContact CG2-CD2 4.3Å; V359-L781 HydrophobicContact CG2-CG 4.21Å; L778-L781 HydrophobicContact CB-CB 4.07Å; L778-L781 HydrophobicContact CB-CD1 4.06Å; L778-L781 HydrophobicContact CB-CG 4.14Å; L778-L781 HydrophobicContact CD1-CD1 3.5Å; L778-L781 VanDerWaalsContact CD1-CD1 3.5Å; L778-L781 HydrophobicContact CD1-CG 4.4Å; L778-L781 HydrophobicContact CG-CD1 4.36Å; L778-L781 CarbonylContact O-C 3.56Å; L778-L781 PolarHBondContact O-N 3.48Å; L781-M783 PolarHBondContact O-N 2.78Å |
| 782 | E | 58.7 | Low | 66.7 | Low | 106 Ų | 106 | 79.2 Ų | 79.2 | 50% | 0.495 | 40% | 0.398 | S | S | . | . | trans | -64 | 99.7 | 173.8 | -82 | -166.4 | 162.6 | 0 | 0 | 110.3 | Y777 L778 | Y777-E782 WeakPolarHBondContact CB-OE1 3.31Å; Y777-E782 HydrophobicContact CD2-CG 4.18Å; Y777-E782 VanDerWaalsContact CD2-OE1 3.31Å; Y777-E782 WeakPolarHBondContact CD2-OE1 3.42Å; Y777-E782 HydrophobicContact CG-CG 3.93Å; L778-E782 PolarHBondContact O-N 2.93Å | ||
| 783 | M | 67.4 | Low | 68.4 | Low | 88 Ų | 88 | 77.5 Ų | 77.5 | 43% | 0.433 | 40% | 0.395 | S | S | . | . | trans | -112.8 | 126.1 | 171.5 | -64.3 | -151.3 | 75.2 | 0 | 0 | 109.6 | P744 A746 L781 | P744-M783 HydrophobicContact CB-CE 3.73Å; P744-M783 HydrophobicContact CB-SD 3.43Å; P744-M783 WeakPolarHBondContact CB-SD 2.92Å; P744-M783 HydrophobicContact CG-CE 3.51Å; P744-M783 HydrophobicContact CG-SD 3.82Å; A746-M783 HydrophobicContact CB-CB 3.77Å; A746-M783 WeakPolarHBondContact CB-O 3.3Å; L781-M783 PolarHBondContact O-N 2.78Å | ||
| 784 | T | 81.2 | Confident | 70.4 | Confident | 75 Ų | 75 | 75.1 Ų | 75.1 | 46% | 0.46 | 37% | 0.365 | S | S | . | . | trans | -64 | 134.7 | 170.4 | -49.8 | 0 | 0 | 0 | 0 | 109 | E788 M789 | T784-E788 HydrophobicContact CG2-CB 3.89Å; T784-M789 HydrophobicContact CG2-CG 3.79Å; T784-M789 WeakPolarHBondContact O-CE 3.3Å | ||
| 785 | P | 86.6 | Confident | 72.4 | Confident | 25 Ų | 25 | 76 Ų | 76 | 16% | 0.162 | 36% | 0.362 | C | S | . | . | trans | -57.9 | 141.7 | 177.1 | -25.9 | 35.5 | 0 | 0 | 0 | 112.7 | L745 E747 S787 E788 M789 | L745-P785 CarbonylContact O-C 3.58Å; L745-P785 WeakPolarHBondContact O-CA 3.25Å; E747-P785 WeakPolarHBondContact OE2-CB 3.32Å; P785-S787 PolarHBondContact O-N 2.88Å; P785-E788 WeakPolarHBondContact O-CB 3.4Å; P785-E788 PolarHBondContact O-N 3.33Å; P785-M789 PolarHBondContact O-N 3.48Å | ||
| 786 | A | 88.7 | Confident | 73.7 | Confident | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.008 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -54.2 | -39.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | L745 E747 E788 M789 A790 L820 V829 | L745-A786 HydrophobicContact CB-CB 4.02Å; L745-A786 HydrophobicContact CD2-CB 3.68Å; L745-A786 HydrophobicContact CG-CB 4.42Å; L745-A786 PolarHBondContact O-N 2.83Å; E747-A786 HydrophobicContact CG-CB 4.37Å; A786-E788 PolarHBondContact O-N 3.05Å; A786-M789 PolarHBondContact O-N 3.21Å; A786-A790 PolarHBondContact O-N 3.04Å; A786-L820 HydrophobicContact CB-CD1 3.83Å; A786-V829 HydrophobicContact CB-CG2 3.99Å |
| 787 | S | 88.3 | Confident | 74.6 | Confident | 4 Ų | 4 | 70.2 Ų | 70.2 | 3% | 0.028 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.9 | -29.6 | 175 | 54.6 | 0 | 0 | 0 | 0 | 114.5 | E747 R767 P785 S832 | E747-S787 WeakPolarHBondContact OE1-CB 3.33Å; E747-S787 PolarHBondContact OE1-N 2.88Å; E747-S787 WeakPolarHBondContact OE2-CB 3.45Å; E747-S787 PolarHBondContact OE2-OG 3.46Å; R767-S787 PolarHBondContact NH1-OG 2.82Å; R767-S787 VanDerWaalsContact NH1-OG 3.13Å; P785-S787 PolarHBondContact O-N 2.88Å; S787-S832 WeakPolarHBondContact O-CB 3.41Å; S787-S832 PolarHBondContact O-OG 3.15Å |
| 788 | E | 87.6 | Confident | 75.1 | Confident | 96 Ų | 96 | 72 Ų | 72 | 45% | 0.449 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -89.5 | -23.9 | 178.8 | -75.4 | 175.4 | -164.3 | 0 | 0 | 113 | R767 T784 P785 A786 A790 Q793 | R767-E788 IonicContact CZ-OE1 2.68Å; R767-E788 VanDerWaalsContact NH1-CD 3.33Å; R767-E788 IonicContact NH1-OE1 2.82Å; R767-E788 PolarHBondContact NH1-OE1 2.93Å; R767-E788 IonicContact NH2-OE1 3.3Å; R767-E788 PolarHBondContact NH2-OE1 2.9Å; T784-E788 HydrophobicContact CG2-CB 3.89Å; P785-E788 WeakPolarHBondContact O-CB 3.4Å; P785-E788 PolarHBondContact O-N 3.33Å; A786-E788 PolarHBondContact O-N 3.05Å; E788-A790 VanDerWaalsContact C-N 3.29Å; E788-Q793 PolarHBondContact O-NE2 3.2Å |
| 789 | M | 85.8 | Confident | 75.6 | Confident | 99 Ų | 99 | 72.8 Ų | 72.8 | 49% | 0.488 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -84 | -4.1 | 175.6 | -63.3 | -169.1 | -66.1 | 0 | 0 | 113.3 | T784 P785 A786 F791 | T784-M789 HydrophobicContact CG2-CG 3.79Å; T784-M789 WeakPolarHBondContact O-CE 3.3Å; P785-M789 PolarHBondContact O-N 3.48Å; A786-M789 PolarHBondContact O-N 3.21Å; M789-F791 PolarHBondContact O-N 2.96Å |
| 790 | A | 85 | Confident | 76.2 | Confident | 8 Ų | 8 | 71.2 Ų | 71.2 | 7% | 0.066 | 39% | 0.387 | C | S | . | . | trans | -60.6 | 136.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A786 E788 Q792 Q793 V829 | A786-A790 PolarHBondContact O-N 3.04Å; E788-A790 VanDerWaalsContact C-N 3.29Å; A790-Q792 VanDerWaalsContact C-N 3.28Å; A790-Q792 PolarHBondContact O-N 2.94Å; A790-Q793 HydrophobicContact CB-CG 4.07Å; A790-Q793 PolarHBondContact O-NE2 2.89Å; A790-V829 WeakPolarHBondContact CA-O 3.33Å; A790-V829 HydrophobicContact CB-CB 4.29Å; A790-V829 HydrophobicContact CB-CG1 3.54Å | ||
| 791 | F | 81.1 | Confident | 76.7 | Confident | 112 Ų | 112 | 69 Ų | 69 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -60.8 | -37.6 | -178.7 | -175.1 | -99.5 | 0 | 0 | 0 | 112.6 | M789 V829 K890 E891 | M789-F791 PolarHBondContact O-N 2.96Å; F791-V829 PolarHBondContact N-O 3.27Å; F791-K890 HydrophobicContact CD1-CB 4.42Å; F791-K890 WeakPolarHBondContact CD1-O 2.77Å; F791-K890 HydrophobicContact CG-CB 4.49Å; F791-E891 HydrophobicContact CE1-CG 3.65Å; F791-E891 HydrophobicContact CZ-CG 4.31Å |
| 792 | Q | 85.5 | Confident | 76.7 | Confident | 61 Ų | 61 | 75.6 Ų | 75.6 | 29% | 0.285 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 145 | 170.1 | -70.8 | -178.8 | 12.4 | 0 | 0 | 110.8 | A790 L830 Y831 S832 G892 | A790-Q792 VanDerWaalsContact C-N 3.28Å; A790-Q792 PolarHBondContact O-N 2.94Å; Q792-L830 PolarHBondContact N-O 3.06Å; Q792-Y831 HydrophobicContact CB-CD2 3.49Å; Q792-Y831 VanDerWaalsContact CB-CD2 3.49Å; Q792-Y831 HydrophobicContact CB-CE2 3.62Å; Q792-Y831 HydrophobicContact CB-CG 4.33Å; Q792-Y831 CarbonylContact O-C 3.5Å; Q792-Y831 WeakPolarHBondContact O-CA 3.29Å; Q792-Y831 VanDerWaalsContact OE1-CE2 3.32Å; Q792-S832 PolarHBondContact O-N 2.93Å; Q792-G892 PolarHBondContact OE1-O 2.82Å |
| 793 | Q | 87.5 | Confident | 76.7 | Confident | 111 Ų | 111 | 73.2 Ų | 73.2 | 52% | 0.519 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 137.4 | -177.7 | -61 | 179.3 | 18.3 | 0 | 0 | 110.1 | E788 A790 S832 | E788-Q793 PolarHBondContact O-NE2 3.2Å; A790-Q793 HydrophobicContact CB-CG 4.07Å; A790-Q793 PolarHBondContact O-NE2 2.89Å; Q793-S832 CarbonylContact C-O 3.56Å; Q793-S832 WeakPolarHBondContact CA-O 3.4Å |
| 794 | S | 87.6 | Confident | 76.1 | Confident | 34 Ų | 34 | 70.8 Ų | 70.8 | 24% | 0.238 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 160.9 | 164.9 | 59.3 | 0 | 0 | 0 | 0 | 110.9 | Y831 S832 Y833 S834 | S794-Y831 VanDerWaalsContact CB-OH 3.27Å; S794-Y831 WeakPolarHBondContact CB-OH 3.32Å; S794-Y831 VanDerWaalsContact OG-CE1 3.24Å; S794-Y831 WeakPolarHBondContact OG-CE1 3.33Å; S794-Y831 PolarHBondContact OG-OH 3.04Å; S794-S832 PolarHBondContact N-O 3Å; S794-Y833 WeakPolarHBondContact O-CA 3.37Å; S794-Y833 VanDerWaalsContact OG-CD2 3.27Å; S794-Y833 WeakPolarHBondContact OG-CD2 3.45Å; S794-S834 PolarHBondContact O-N 3.5Å |
| 795 | K | 83.6 | Confident | 74.8 | Confident | 181 Ų | 181 | 70.2 Ų | 70.2 | 79% | 0.787 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 141.3 | 176.5 | -67.8 | -175.3 | 178.1 | -177.9 | 0 | 109 | S834 | K795-S834 CarbonylContact C-O 3.56Å; K795-S834 WeakPolarHBondContact CA-O 3.4Å |
| 796 | A | 79 | Confident | 73.1 | Confident | 14 Ų | 14 | 70.4 Ų | 70.4 | 12% | 0.116 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 145.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y833 S834 F835 | A796-Y833 WeakPolarHBondContact CA-OH 3.25Å; A796-Y833 HydrophobicContact CB-CE1 3.61Å; A796-S834 PolarHBondContact N-O 3.4Å; A796-F835 HydrophobicContact CB-CD1 4.02Å |
| 797 | A | 71.3 | Confident | 71.1 | Confident | 67 Ų | 67 | 79 Ų | 79 | 55% | 0.554 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 139.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | N799 | A797-N799 PolarHBondContact O-N 2.81Š|
| 798 | P | 63.4 | Low | 68.7 | Low | 126 Ų | 126 | 85.8 Ų | 85.8 | 82% | 0.818 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 139.5 | 177.7 | 23 | -31.5 | 0 | 0 | 0 | 109.9 | A800 | P798-A800 PolarHBondContact O-N 2.81Š|
| 799 | N | 63.7 | Low | 66.6 | Low | 23 Ų | 23 | 85.5 Ų | 85.5 | 12% | 0.123 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 138.2 | 178.5 | -75.9 | -11.3 | 0 | 0 | 0 | 110.1 | A797 L801 L803 R877 | A797-N799 PolarHBondContact O-N 2.81Å; N799-L801 PolarHBondContact O-N 2.94Å; N799-L803 HydrophobicContact CB-CD1 3.97Å; N799-L803 HydrophobicContact CB-CG 4.4Å; N799-R877 PolarHBondContact OD1-NH1 3.22Å; N799-R877 PolarHBondContact OD1-NH2 3.1Å |
| 800 | A | 60.5 | Low | 64.7 | Low | 99 Ų | 99 | 87.8 Ų | 87.8 | 82% | 0.818 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -68.8 | -16.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P798 | P798-A800 PolarHBondContact O-N 2.81Š|
| 801 | L | 61.2 | Low | 62.9 | Low | 72 Ų | 72 | 93.9 Ų | 93.9 | 38% | 0.377 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -97 | 139.6 | -179.5 | -64.8 | 163 | 0 | 0 | 0 | 110.1 | N799 L803 I865 Y901 | N799-L801 PolarHBondContact O-N 2.94Å; L801-L803 PolarHBondContact O-N 3.32Å; L801-I865 HydrophobicContact CB-CG2 4.49Å; L801-Y901 HydrophobicContact CD1-CE1 4.31Å |
| 802 | E | 56.4 | Low | 61.5 | Low | 186 Ų | 186 | 91.9 Ų | 91.9 | 87% | 0.869 | 49% | 0.493 | S | S | * | . | trans | -63.3 | 105.4 | 174 | -79.4 | -172 | 161.4 | 0 | 0 | 110.2 | ||||
| 803 | L | 59.2 | Low | 60.3 | Low | 55 Ų | 55 | 92.3 Ų | 92.3 | 29% | 0.288 | 49% | 0.492 | S | S | . | . | B | Isolated β-bridge | trans | -69.5 | 135.8 | 172.3 | -75.8 | 153.2 | 0 | 0 | 0 | 109.7 | N799 L801 S805 F863 | N799-L803 HydrophobicContact CB-CD1 3.97Å; N799-L803 HydrophobicContact CB-CG 4.4Å; L801-L803 PolarHBondContact O-N 3.32Å; L803-S805 PolarHBondContact O-N 3.13Å; L803-S805 VanDerWaalsContact O-N 3.08Å; L803-F863 HydrophobicContact CD2-CB 3.65Å; L803-F863 HydrophobicContact CD2-CD2 3.58Å; L803-F863 HydrophobicContact CD2-CE2 4.5Å; L803-F863 HydrophobicContact CD2-CG 3.79Å |
| 804 | I | 55.3 | Low | 59.5 | Low | 37 Ų | 37 | 92.6 Ų | 92.6 | 19% | 0.19 | 49% | 0.492 | C | S | . | . | trans | -70.7 | 106.6 | 166.3 | -54.9 | 172.3 | 0 | 0 | 0 | 106.7 | S806 R866 I872 | I804-S806 PolarHBondContact O-N 3.07Å; I804-R866 HydrophobicContact CD1-CB 3.71Å; I804-R866 HydrophobicContact CD1-CG 3.48Å; I804-R866 VanDerWaalsContact CD1-CG 3.48Å; I804-R866 HydrophobicContact CG1-CB 3.74Å; I804-R866 HydrophobicContact CG1-CG 3.85Å; I804-I872 HydrophobicContact CD1-CD1 4.48Å; I804-I872 HydrophobicContact CD1-CG1 3.98Å; I804-I872 HydrophobicContact CD1-CG2 4.27Å | ||
| 805 | S | 53.5 | Low | 59 | Low | 64 Ų | 64 | 94 Ų | 94 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | trans | -66.1 | 123.8 | 161.2 | 71.6 | 0 | 0 | 0 | 0 | 107.1 | L803 K807 | L803-S805 PolarHBondContact O-N 3.13Å; L803-S805 VanDerWaalsContact O-N 3.08Å; S805-K807 PolarHBondContact O-N 2.89Å; S805-K807 WeakPolarHBondContact OG-CG 3.41Å | ||
| 806 | S | 51.1 | Low | 59.2 | Low | 29 Ų | 29 | 86.9 Ų | 86.9 | 20% | 0.203 | 46% | 0.464 | C | S | . | . | trans | -64.5 | 43 | 177.3 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | I804 N808 D809 | I804-S806 PolarHBondContact O-N 3.07Å; S806-N808 PolarHBondContact O-N 2.84Å; S806-D809 PolarHBondContact O-N 3.24Å | ||
| 807 | K | 45.7 | Very low | 59.9 | Low | 180 Ų | 180 | 86.2 Ų | 86.2 | 78% | 0.783 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -17.6 | 179.5 | -81.2 | -178.1 | -179.7 | -178.9 | 0 | 113.7 | S805 | S805-K807 PolarHBondContact O-N 2.89Å; S805-K807 WeakPolarHBondContact OG-CG 3.41Å |
| 808 | N | 38.8 | Very low | 61 | Low | 147 Ų | 147 | 83.1 Ų | 83.1 | 79% | 0.786 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | 1.3 | -175.6 | -82.8 | 3.7 | 0 | 0 | 0 | 114.7 | S806 F810 | S806-N808 PolarHBondContact O-N 2.84Å; N808-F810 PolarHBondContact O-N 2.77Å |
| 809 | D | 43.8 | Very low | 62.6 | Low | 91 Ų | 91 | 77.1 Ų | 77.1 | 49% | 0.487 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -79.9 | 125.5 | 171.1 | -71.2 | -29.1 | 0 | 0 | 0 | 107.6 | S806 Y811 | S806-D809 PolarHBondContact O-N 3.24Å; D809-Y811 PolarHBondContact O-N 3.36Å |
| 810 | F | 45.3 | Very low | 64.1 | Low | 147 Ų | 147 | 76 Ų | 76 | 65% | 0.645 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -55.7 | -9 | -176.3 | -86.3 | -102.6 | 0 | 0 | 0 | 113.9 | N808 | N808-F810 PolarHBondContact O-N 2.77Š|
| 811 | Y | 47.6 | Very low | 65.8 | Low | 136 Ų | 136 | 71.3 Ų | 71.3 | 53% | 0.533 | 35% | 0.349 | S | S | . | . | trans | -113.2 | 53.1 | -176.4 | -51.9 | -77 | 0 | 0 | 0 | 113.9 | D809 Y813 | D809-Y811 PolarHBondContact O-N 3.36Å; Y811-Y813 PolarHBondContact O-N 3.18Å; Y811-Y813 VanDerWaalsContact O-N 3.12Å | ||
| 812 | S | 51.1 | Low | 67.2 | Low | 69 Ų | 69 | 67.9 Ų | 67.9 | 48% | 0.483 | 33% | 0.331 | S | S | . | . | trans | -89.5 | 66.6 | -171.7 | 79.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 813 | Y | 60.6 | Low | 68.7 | Low | 71 Ų | 71 | 59.6 Ų | 59.6 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | trans | -85 | 129.9 | 151.9 | 39.7 | -92.2 | 0 | 0 | 0 | 108.2 | C768 Y811 K815 | C768-Y813 HydrophobicContact CB-CD2 4.22Å; C768-Y813 WeakPolarHBondContact SG-CD2 3.48Å; Y811-Y813 PolarHBondContact O-N 3.18Å; Y811-Y813 VanDerWaalsContact O-N 3.12Å; Y813-K815 HydrophobicContact CD2-CG 4.33Å; Y813-K815 PolarHBondContact O-N 3.36Å | ||
| 814 | K | 70.1 | Confident | 69.8 | Low | 117 Ų | 117 | 57.6 Ų | 57.6 | 51% | 0.509 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 115.9 | -178.9 | -75.4 | -178.3 | -177.7 | 173.8 | 0 | 108.6 | D769 | D769-K814 HydrophobicContact CB-CB 4.47Å; D769-K814 PolarHBondContact N-O 2.86Å; D769-K814 PolarHBondContact O-N 2.98Å |
| 815 | K | 78.8 | Confident | 70.7 | Confident | 62 Ų | 62 | 58.3 Ų | 58.3 | 27% | 0.27 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 126.7 | 170.6 | -67.3 | 177.8 | -179.7 | 171.1 | 0 | 109.2 | V766 R767 Y813 E840 | V766-K815 HydrophobicContact CG1-CB 4.44Å; R767-K815 WeakPolarHBondContact O-CA 3.27Å; Y813-K815 HydrophobicContact CD2-CG 4.33Å; Y813-K815 PolarHBondContact O-N 3.36Å; K815-E840 HydrophobicContact CD-CG 4.4Å; K815-E840 WeakPolarHBondContact CD-OE1 3.27Å; K815-E840 WeakPolarHBondContact CE-OE1 3.11Å; K815-E840 IonicContact NZ-OE1 3.72Å; K815-E840 PolarHBondContact NZ-OE1 3.37Å |
| 816 | I | 86.9 | Confident | 71.8 | Confident | 33 Ų | 33 | 58.6 Ų | 58.6 | 17% | 0.169 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 121.4 | 173 | -58.9 | 172.5 | 0 | 0 | 0 | 106.2 | V766 R767 D769 | V766-I816 WeakPolarHBondContact CA-O 3.33Å; R767-I816 HydrophobicContact CG-CB 3.94Å; R767-I816 PolarHBondContact N-O 2.86Å; R767-I816 PolarHBondContact O-N 2.94Å; D769-I816 HydrophobicContact CB-CD1 3.75Å; D769-I816 HydrophobicContact CB-CG1 4.43Å |
| 817 | S | 92.7 | Very high | 73.5 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 145 | 173.9 | -49.4 | 0 | 0 | 0 | 0 | 110.5 | T765 F835 E839 E840 C841 | T765-S817 CarbonylContact O-C 3.55Å; T765-S817 VanDerWaalsContact O-CA 3.25Å; T765-S817 WeakPolarHBondContact O-CA 3.35Å; S817-F835 WeakPolarHBondContact O-CD2 3.14Å; S817-F835 PolarHBondContact O-N 2.86Å; S817-E839 VanDerWaalsContact CB-O 3.3Å; S817-E839 WeakPolarHBondContact CB-O 3.29Å; S817-E839 PolarHBondContact OG-O 2.84Å; S817-E840 WeakPolarHBondContact OG-CA 3.19Å; S817-C841 PolarHBondContact OG-N 2.88Å |
| 818 | S | 94.9 | Very high | 75.4 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 149.6 | 177.2 | -70 | 0 | 0 | 0 | 0 | 110.8 | I764 T765 Y833 S834 | I764-S818 CarbonylContact C-O 3.49Å; I764-S818 WeakPolarHBondContact CA-O 3.42Å; T765-S818 PolarHBondContact N-O 3.25Å; T765-S818 PolarHBondContact O-N 3.12Å; S818-Y833 CarbonylContact C-O 3.59Å; S818-Y833 WeakPolarHBondContact CA-O 3.44Å; S818-S834 PolarHBondContact OG-OG 3.26Å; S818-S834 VanDerWaalsContact OG-OG 3.11Å |
| 819 | F | 96.5 | Very high | 77.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 116.5 | 165.4 | 169.7 | -117.3 | 0 | 0 | 0 | 108.6 | I764 I821 Y833 F835 L844 Y857 V859 L881 L894 | I764-F819 HydrophobicContact CG2-CB 4.4Å; I764-F819 HydrophobicContact CG2-CD2 3.96Å; F819-I821 HydrophobicContact CE1-CD1 4Å; F819-I821 HydrophobicContact CE1-CG1 3.82Å; F819-I821 HydrophobicContact CZ-CD1 4.41Å; F819-I821 HydrophobicContact CZ-CG1 3.92Å; F819-Y833 PolarHBondContact N-O 3.19Å; F819-Y833 PolarHBondContact O-N 2.62Å; F819-F835 HydrophobicContact CB-CE2 3.83Å; F819-F835 HydrophobicContact CB-CZ 4.21Å; F819-L844 HydrophobicContact CD2-CD1 4.19Å; F819-L844 HydrophobicContact CE2-CD1 3.71Å; F819-L844 HydrophobicContact CE2-CD2 4.32Å; F819-Y857 HydrophobicContact CE2-CD1 4.46Å; F819-Y857 HydrophobicContact CE2-CG 4.48Å; F819-Y857 HydrophobicContact CZ-CD1 4.09Å; F819-Y857 AromaticContact CZ-CD2 3.89Å; F819-Y857 HydrophobicContact CZ-CD2 3.89Å; F819-Y857 HydrophobicContact CZ-CE2 4.41Å; F819-Y857 AromaticContact CZ-CG 3.7Å; F819-Y857 HydrophobicContact CZ-CG 3.7Å; F819-V859 HydrophobicContact CB-CG2 4.46Å; F819-V859 HydrophobicContact CD1-CG2 4.34Å; F819-V859 HydrophobicContact CD2-CG2 3.99Å; F819-V859 HydrophobicContact CE2-CG2 4.31Å; F819-V859 HydrophobicContact CG-CG2 4Å; F819-L881 HydrophobicContact CD1-CD1 3.69Å; F819-L881 HydrophobicContact CE1-CD1 3.74Å; F819-L894 HydrophobicContact CD1-CD2 4.3Å; F819-L894 HydrophobicContact CE1-CD2 4.33Å |
| 820 | L | 96.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 141.9 | -179.7 | -52.4 | -174.7 | 0 | 0 | 0 | 110.5 | E747 G762 V763 T765 A786 M822 V829 Y831 | E747-L820 WeakPolarHBondContact OE1-CD1 3.43Å; G762-L820 CarbonylContact C-O 3.6Å; G762-L820 WeakPolarHBondContact CA-O 3.18Å; V763-L820 HydrophobicContact CB-CB 4.41Å; V763-L820 PolarHBondContact N-O 3.3Å; V763-L820 PolarHBondContact O-N 2.77Å; T765-L820 HydrophobicContact CG2-CD1 3.66Å; T765-L820 HydrophobicContact CG2-CG 4.08Å; A786-L820 HydrophobicContact CB-CD1 3.83Å; L820-M822 HydrophobicContact CB-CG 4.36Å; L820-V829 HydrophobicContact CB-CG1 4.43Å; L820-V829 HydrophobicContact CD1-CG1 4.49Å; L820-V829 HydrophobicContact CD2-CG1 4.25Å; L820-Y831 CarbonylContact C-O 3.51Å; L820-Y831 WeakPolarHBondContact CA-O 3.38Å |
| 821 | I | 95.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 118.6 | 165.5 | -61.7 | 176.9 | 0 | 0 | 0 | 107.2 | T760 Y761 F819 L830 Y831 Y883 L894 | T760-I821 HydrophobicContact CG2-CG2 3.8Å; Y761-I821 WeakPolarHBondContact O-CA 3.37Å; F819-I821 HydrophobicContact CE1-CD1 4Å; F819-I821 HydrophobicContact CE1-CG1 3.82Å; F819-I821 HydrophobicContact CZ-CD1 4.41Å; F819-I821 HydrophobicContact CZ-CG1 3.92Å; I821-L830 HydrophobicContact CG2-CD1 4.5Å; I821-L830 WeakPolarHBondContact O-CA 3.25Å; I821-L830 WeakPolarHBondContact O-CB 3.33Å; I821-L830 PolarHBondContact O-N 2.95Å; I821-Y831 PolarHBondContact N-O 2.86Å; I821-Y831 PolarHBondContact O-N 3.19Å; I821-Y883 HydrophobicContact CD1-CD1 4.38Å; I821-Y883 HydrophobicContact CD1-CD2 3.35Å; I821-Y883 HydrophobicContact CD1-CE2 3.9Å; I821-Y883 HydrophobicContact CD1-CG 3.61Å; I821-Y883 HydrophobicContact CG2-CD1 4.16Å; I821-Y883 HydrophobicContact CG2-CD2 4.46Å; I821-Y883 HydrophobicContact CG2-CE1 3.94Å; I821-Y883 HydrophobicContact CG2-CE2 4.25Å; I821-Y883 HydrophobicContact CG2-CG 4.4Å; I821-L894 HydrophobicContact CD1-CD1 3.69Å; I821-L894 HydrophobicContact CD1-CD2 4.33Å; I821-L894 HydrophobicContact CD1-CG 4.48Å |
| 822 | M | 92.3 | Very high | 84.6 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 144.5 | -177.8 | -58.3 | 178.7 | 73.2 | 0 | 0 | 110.1 | L397 V743 L745 T760 Y761 V763 L820 F827 D828 V829 | L397-M822 HydrophobicContact CD1-CE 4.15Å; L397-M822 HydrophobicContact CD1-SD 3.85Å; V743-M822 HydrophobicContact CG1-CE 4.3Å; L745-M822 HydrophobicContact CD2-CE 3.87Å; L745-M822 HydrophobicContact CD2-SD 4.27Å; T760-M822 CarbonylContact C-O 3.49Å; T760-M822 VanDerWaalsContact CA-O 3.23Å; T760-M822 WeakPolarHBondContact CA-O 3.45Å; T760-M822 WeakPolarHBondContact CB-O 3.45Å; Y761-M822 PolarHBondContact N-O 2.91Å; Y761-M822 PolarHBondContact O-N 3.19Å; V763-M822 HydrophobicContact CB-SD 4.48Å; V763-M822 HydrophobicContact CG2-SD 3.86Å; L820-M822 HydrophobicContact CB-CG 4.36Å; M822-F827 HydrophobicContact CE-CB 3.91Å; M822-F827 HydrophobicContact CE-CD1 4.25Å; M822-F827 WeakPolarHBondContact CE-O 3.2Å; M822-D828 CarbonylContact C-O 3.59Å; M822-D828 VanDerWaalsContact CA-O 3.25Å; M822-D828 WeakPolarHBondContact CA-O 3.29Å; M822-V829 HydrophobicContact CE-CG2 4.27Å; M822-V829 HydrophobicContact CG-CG2 4.44Å |
| 823 | D | 86.2 | Confident | 86.6 | Confident | 11 Ų | 11 | 27.1 Ų | 27.1 | 6% | 0.059 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 136.2 | 171.9 | -176.7 | -88.2 | 0 | 0 | 0 | 110.4 | N825 N826 F827 D828 L830 R885 | D823-N825 PolarHBondContact O-N 2.98Å; D823-N825 WeakPolarHBondContact OD1-CA 3.16Å; D823-N825 VanDerWaalsContact OD1-CB 3.27Å; D823-N825 WeakPolarHBondContact OD1-CB 3.34Å; D823-N825 PolarHBondContact OD1-N 3.07Å; D823-N826 VanDerWaalsContact CB-OD1 3.28Å; D823-N826 WeakPolarHBondContact CB-OD1 3.14Å; D823-N826 PolarHBondContact OD1-N 3.21Å; D823-N826 PolarHBondContact OD1-OD1 2.99Å; D823-F827 VanDerWaalsContact O-CA 3.29Å; D823-F827 WeakPolarHBondContact O-CA 3.31Å; D823-F827 PolarHBondContact O-N 2.9Å; D823-D828 PolarHBondContact N-O 3.27Å; D823-L830 HydrophobicContact CB-CD1 4.04Å; D823-L830 HydrophobicContact CB-CD2 4.24Å; D823-L830 HydrophobicContact CB-CG 4.18Å; D823-R885 IonicContact OD2-CZ 3.44Å; D823-R885 VanDerWaalsContact OD2-CZ 3.24Å; D823-R885 IonicContact OD2-NH1 3.71Å; D823-R885 PolarHBondContact OD2-NH1 2.9Å; D823-R885 IonicContact OD2-NH2 3.08Å; D823-R885 PolarHBondContact OD2-NH2 3.39Å |
| 824 | R | 83.9 | Confident | 88.2 | Confident | 14 Ų | 14 | 24.8 Ų | 24.8 | 5% | 0.053 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -27.1 | -175.4 | -177.7 | -177.9 | 177.9 | -175.7 | 4.5 | 113.8 | D376 L377 Q754 S759 Y761 | D376-R824 VanDerWaalsContact C-NH2 3.34Å; D376-R824 PolarHBondContact O-NH2 3.4Å; L377-R824 HydrophobicContact CD2-CG 4.26Å; Q754-R824 VanDerWaalsContact NE2-CZ 3.28Å; S759-R824 VanDerWaalsContact C-CB 3.49Å; S759-R824 WeakPolarHBondContact O-CB 3.49Å; S759-R824 PolarHBondContact O-N 2.81Å; Y761-R824 HydrophobicContact CD2-CB 4.44Å; Y761-R824 HydrophobicContact CE1-CG 4.42Å; Y761-R824 HydrophobicContact CE2-CB 4.1Å; Y761-R824 HydrophobicContact CE2-CG 3.83Å; Y761-R824 WeakPolarHBondContact CE2-O 3.25Å |
| 825 | N | 74.5 | Confident | 89.1 | Confident | 52 Ų | 52 | 20 Ų | 20 | 28% | 0.278 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -46.8 | -169 | -68.9 | -39 | 0 | 0 | 0 | 112.9 | R702 D823 | R702-N825 VanDerWaalsContact NH1-CB 3.29Å; R702-N825 PolarHBondContact NH1-OD1 2.93Å; R702-N825 PolarHBondContact NH2-O 2.93Å; R702-N825 PolarHBondContact NH2-OD1 3.26Å; D823-N825 PolarHBondContact O-N 2.98Å; D823-N825 WeakPolarHBondContact OD1-CA 3.16Å; D823-N825 VanDerWaalsContact OD1-CB 3.27Å; D823-N825 WeakPolarHBondContact OD1-CB 3.34Å; D823-N825 PolarHBondContact OD1-N 3.07Å |
| 826 | N | 76.2 | Confident | 89.2 | Confident | 69 Ų | 69 | 18.4 Ų | 18.4 | 37% | 0.369 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | -5.4 | -175.3 | 69.5 | 2.8 | 0 | 0 | 0 | 114 | D823 D828 | D823-N826 VanDerWaalsContact CB-OD1 3.28Å; D823-N826 WeakPolarHBondContact CB-OD1 3.14Å; D823-N826 PolarHBondContact OD1-N 3.21Å; D823-N826 PolarHBondContact OD1-OD1 2.99Å; N826-D828 VanDerWaalsContact CG-CG 3.45Å; N826-D828 PolarHBondContact ND2-OD2 3.5Å; N826-D828 PolarHBondContact O-N 3.19Å; N826-D828 VanDerWaalsContact OD1-CB 3.29Å; N826-D828 WeakPolarHBondContact OD1-CB 3.03Å; N826-D828 PolarHBondContact OD1-N 3.33Å |
| 827 | F | 86 | Confident | 88.6 | Confident | 15 Ų | 15 | 20.5 Ų | 20.5 | 7% | 0.066 | 12% | 0.116 | C | C | . | . | trans | 62.8 | 20.9 | -176.6 | -63 | -95.5 | 0 | 0 | 0 | 114.3 | V386 L397 V399 V743 Y761 M822 D823 V829 | V386-F827 HydrophobicContact CG1-CE1 4.13Å; V386-F827 HydrophobicContact CG2-CE1 4.48Å; V386-F827 HydrophobicContact CG2-CZ 4.24Å; L397-F827 HydrophobicContact CD1-CD1 4.37Å; V399-F827 HydrophobicContact CG2-CE1 4Å; V399-F827 HydrophobicContact CG2-CE2 3.6Å; V399-F827 HydrophobicContact CG2-CZ 3.28Å; V743-F827 HydrophobicContact CG1-CB 3.77Å; V743-F827 HydrophobicContact CG1-CD1 4.39Å; V743-F827 HydrophobicContact CG1-CG 4.21Å; V743-F827 HydrophobicContact CG2-CB 4.22Å; V743-F827 HydrophobicContact CG2-CD1 4.23Å; V743-F827 HydrophobicContact CG2-CD2 4.12Å; V743-F827 HydrophobicContact CG2-CG 3.93Å; Y761-F827 HydrophobicContact CD2-CD1 4.33Å; Y761-F827 AromaticContact CD2-CE1 3.94Å; Y761-F827 HydrophobicContact CD2-CE1 3.94Å; Y761-F827 HydrophobicContact CE2-CD1 4.4Å; Y761-F827 AromaticContact CE2-CE1 3.68Å; Y761-F827 HydrophobicContact CE2-CE1 3.68Å; Y761-F827 AromaticContact CE2-CZ 3.84Å; Y761-F827 HydrophobicContact CE2-CZ 3.84Å; M822-F827 HydrophobicContact CE-CB 3.91Å; M822-F827 HydrophobicContact CE-CD1 4.25Å; M822-F827 WeakPolarHBondContact CE-O 3.2Å; D823-F827 VanDerWaalsContact O-CA 3.29Å; D823-F827 WeakPolarHBondContact O-CA 3.31Å; D823-F827 PolarHBondContact O-N 2.9Å; F827-V829 PolarHBondContact O-N 2.82Å | ||
| 828 | D | 85.1 | Confident | 87.8 | Confident | 55 Ų | 55 | 22.5 Ų | 22.5 | 29% | 0.294 | 13% | 0.127 | S | C | . | . | trans | -62.4 | 136.8 | 170.5 | -76.1 | -6.8 | 0 | 0 | 0 | 109.9 | M822 D823 N826 L830 K890 | M822-D828 CarbonylContact C-O 3.59Å; M822-D828 VanDerWaalsContact CA-O 3.25Å; M822-D828 WeakPolarHBondContact CA-O 3.29Å; D823-D828 PolarHBondContact N-O 3.27Å; N826-D828 VanDerWaalsContact CG-CG 3.45Å; N826-D828 PolarHBondContact ND2-OD2 3.5Å; N826-D828 PolarHBondContact O-N 3.19Å; N826-D828 VanDerWaalsContact OD1-CB 3.29Å; N826-D828 WeakPolarHBondContact OD1-CB 3.03Å; N826-D828 PolarHBondContact OD1-N 3.33Å; D828-L830 PolarHBondContact O-N 3.35Å; D828-K890 IonicContact OD2-NZ 2.63Å; D828-K890 PolarHBondContact OD2-NZ 3.49Å | ||
| 829 | V | 91.2 | Very high | 87.4 | Confident | 20 Ų | 20 | 22.5 Ų | 22.5 | 12% | 0.121 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 101.2 | 175.9 | -169 | 0 | 0 | 0 | 0 | 109.1 | A786 A790 F791 L820 M822 F827 | A786-V829 HydrophobicContact CB-CG2 3.99Å; A790-V829 WeakPolarHBondContact CA-O 3.33Å; A790-V829 HydrophobicContact CB-CB 4.29Å; A790-V829 HydrophobicContact CB-CG1 3.54Å; F791-V829 PolarHBondContact N-O 3.27Å; L820-V829 HydrophobicContact CB-CG1 4.43Å; L820-V829 HydrophobicContact CD1-CG1 4.49Å; L820-V829 HydrophobicContact CD2-CG1 4.25Å; M822-V829 HydrophobicContact CE-CG2 4.27Å; M822-V829 HydrophobicContact CG-CG2 4.44Å; F827-V829 PolarHBondContact O-N 2.82Å |
| 830 | L | 90.4 | Very high | 87.1 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | -41.9 | -177.5 | -57.8 | 178.6 | 0 | 0 | 0 | 111.7 | T760 Q792 I821 D823 D828 K890 | T760-L830 HydrophobicContact CG2-CD1 4.11Å; Q792-L830 PolarHBondContact N-O 3.06Å; I821-L830 HydrophobicContact CG2-CD1 4.5Å; I821-L830 WeakPolarHBondContact O-CA 3.25Å; I821-L830 WeakPolarHBondContact O-CB 3.33Å; I821-L830 PolarHBondContact O-N 2.95Å; D823-L830 HydrophobicContact CB-CD1 4.04Å; D823-L830 HydrophobicContact CB-CD2 4.24Å; D823-L830 HydrophobicContact CB-CG 4.18Å; D828-L830 PolarHBondContact O-N 3.35Å; L830-K890 HydrophobicContact CD2-CB 4.43Å |
| 831 | Y | 93.1 | Very high | 86.9 | Confident | 24 Ų | 24 | 24.6 Ų | 24.6 | 9% | 0.094 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 142.5 | -174.7 | -155.4 | -80.6 | 0 | 0 | 0 | 110.9 | Q792 S794 L820 I821 L894 | Q792-Y831 HydrophobicContact CB-CD2 3.49Å; Q792-Y831 VanDerWaalsContact CB-CD2 3.49Å; Q792-Y831 HydrophobicContact CB-CE2 3.62Å; Q792-Y831 HydrophobicContact CB-CG 4.33Å; Q792-Y831 CarbonylContact O-C 3.5Å; Q792-Y831 WeakPolarHBondContact O-CA 3.29Å; Q792-Y831 VanDerWaalsContact OE1-CE2 3.32Å; S794-Y831 VanDerWaalsContact CB-OH 3.27Å; S794-Y831 WeakPolarHBondContact CB-OH 3.32Å; S794-Y831 VanDerWaalsContact OG-CE1 3.24Å; S794-Y831 WeakPolarHBondContact OG-CE1 3.33Å; S794-Y831 PolarHBondContact OG-OH 3.04Å; L820-Y831 CarbonylContact C-O 3.51Å; L820-Y831 WeakPolarHBondContact CA-O 3.38Å; I821-Y831 PolarHBondContact N-O 2.86Å; I821-Y831 PolarHBondContact O-N 3.19Å; Y831-L894 HydrophobicContact CD1-CB 4.13Å; Y831-L894 HydrophobicContact CD1-CD2 3.9Å; Y831-L894 HydrophobicContact CE1-CB 3.84Å; Y831-L894 HydrophobicContact CE1-CD2 3.83Å; Y831-L894 HydrophobicContact CE2-CB 4.27Å; Y831-L894 HydrophobicContact CG-CB 4.48Å |
| 832 | S | 94.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 127.4 | 172.7 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | S787 Q792 Q793 S794 | S787-S832 WeakPolarHBondContact O-CB 3.41Å; S787-S832 PolarHBondContact O-OG 3.15Å; Q792-S832 PolarHBondContact O-N 2.93Å; Q793-S832 CarbonylContact C-O 3.56Å; Q793-S832 WeakPolarHBondContact CA-O 3.4Å; S794-S832 PolarHBondContact N-O 3Å |
| 833 | Y | 94 | Very high | 86.9 | Confident | 20 Ų | 20 | 25.4 Ų | 25.4 | 8% | 0.078 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 100.6 | 176 | -170.6 | -91.4 | 0 | 0 | 0 | 108.9 | S794 A796 S818 F819 F835 L894 | S794-Y833 WeakPolarHBondContact O-CA 3.37Å; S794-Y833 VanDerWaalsContact OG-CD2 3.27Å; S794-Y833 WeakPolarHBondContact OG-CD2 3.45Å; A796-Y833 WeakPolarHBondContact CA-OH 3.25Å; A796-Y833 HydrophobicContact CB-CE1 3.61Å; S818-Y833 CarbonylContact C-O 3.59Å; S818-Y833 WeakPolarHBondContact CA-O 3.44Å; F819-Y833 PolarHBondContact N-O 3.19Å; F819-Y833 PolarHBondContact O-N 2.62Å; Y833-F835 HydrophobicContact CD1-CD1 4.5Å; Y833-F835 AromaticContact CD1-CE1 3.86Å; Y833-F835 HydrophobicContact CD1-CE1 3.86Å; Y833-F835 HydrophobicContact CD1-CE2 4.16Å; Y833-F835 AromaticContact CD1-CZ 3.67Å; Y833-F835 HydrophobicContact CD1-CZ 3.67Å; Y833-F835 HydrophobicContact CE1-CD1 4.31Å; Y833-F835 AromaticContact CE1-CE1 3.69Å; Y833-F835 HydrophobicContact CE1-CE1 3.69Å; Y833-F835 AromaticContact CE1-CZ 3.98Å; Y833-F835 HydrophobicContact CE1-CZ 3.98Å; Y833-L894 HydrophobicContact CD2-CD2 3.9Å; Y833-L894 HydrophobicContact CG-CD2 4.17Å |
| 834 | S | 92.5 | Very high | 87.4 | Confident | 23 Ų | 23 | 25.6 Ų | 25.6 | 16% | 0.161 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 134.8 | -174.1 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | S794 K795 A796 S818 | S794-S834 PolarHBondContact O-N 3.5Å; K795-S834 CarbonylContact C-O 3.56Å; K795-S834 WeakPolarHBondContact CA-O 3.4Å; A796-S834 PolarHBondContact N-O 3.4Å; S818-S834 PolarHBondContact OG-OG 3.26Å; S818-S834 VanDerWaalsContact OG-OG 3.11Å |
| 835 | F | 90.6 | Very high | 88 | Confident | 16 Ų | 16 | 25.9 Ų | 25.9 | 7% | 0.07 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -88.2 | 173.5 | -179 | -65.8 | -79.9 | 0 | 0 | 0 | 112.7 | A796 S817 F819 Y833 E839 C841 V859 T861 L879 | A796-F835 HydrophobicContact CB-CD1 4.02Å; S817-F835 WeakPolarHBondContact O-CD2 3.14Å; S817-F835 PolarHBondContact O-N 2.86Å; F819-F835 HydrophobicContact CB-CE2 3.83Å; F819-F835 HydrophobicContact CB-CZ 4.21Å; Y833-F835 HydrophobicContact CD1-CD1 4.5Å; Y833-F835 AromaticContact CD1-CE1 3.86Å; Y833-F835 HydrophobicContact CD1-CE1 3.86Å; Y833-F835 HydrophobicContact CD1-CE2 4.16Å; Y833-F835 AromaticContact CD1-CZ 3.67Å; Y833-F835 HydrophobicContact CD1-CZ 3.67Å; Y833-F835 HydrophobicContact CE1-CD1 4.31Å; Y833-F835 AromaticContact CE1-CE1 3.69Å; Y833-F835 HydrophobicContact CE1-CE1 3.69Å; Y833-F835 AromaticContact CE1-CZ 3.98Å; Y833-F835 HydrophobicContact CE1-CZ 3.98Å; F835-E839 HydrophobicContact CB-CB 4.26Å; F835-E839 HydrophobicContact CB-CG 4.19Å; F835-C841 WeakPolarHBondContact CD2-SG 3.24Å; F835-C841 WeakPolarHBondContact CE2-SG 3.49Å; F835-V859 HydrophobicContact CE2-CG1 4.49Å; F835-V859 HydrophobicContact CZ-CG1 3.97Å; F835-T861 HydrophobicContact CD1-CG2 4Å; F835-T861 HydrophobicContact CE1-CG2 3.77Å; F835-T861 HydrophobicContact CG-CG2 4.47Å; F835-T861 HydrophobicContact CZ-CG2 4.05Å; F835-L879 HydrophobicContact CE1-CD1 3.66Å; F835-L879 HydrophobicContact CZ-CD1 4.27Å |
| 836 | G | 80.2 | Confident | 89 | Confident | 29 Ų | 29 | 24.9 Ų | 24.9 | 30% | 0.299 | 14% | 0.144 | S | C | . | . | P | Polyproline II helix | trans | -63.8 | 160.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E839 | G836-E839 PolarHBondContact N-OE2 3.27Å; G836-E839 WeakPolarHBondContact O-CB 3.36Å; G836-E839 PolarHBondContact O-N 3.03Å |
| 837 | T | 73.7 | Confident | 89.9 | Confident | 76 Ų | 76 | 22.4 Ų | 22.4 | 47% | 0.466 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 138.2 | 169.7 | 47.5 | 0 | 0 | 0 | 0 | 110.2 | E839 | T837-E839 PolarHBondContact O-N 3.08Š|
| 838 | D | 75.8 | Confident | 90.3 | Very high | 43 Ų | 43 | 25 Ų | 25 | 23% | 0.23 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 11.7 | -177.5 | -53.2 | -41.7 | 0 | 0 | 0 | 114.6 | ||
| 839 | E | 87.7 | Confident | 90.7 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -95.1 | 116.9 | 166.6 | -176.8 | 175.5 | -167.2 | 0 | 0 | 110.1 | S817 F835 G836 T837 T861 F863 R877 | S817-E839 VanDerWaalsContact CB-O 3.3Å; S817-E839 WeakPolarHBondContact CB-O 3.29Å; S817-E839 PolarHBondContact OG-O 2.84Å; F835-E839 HydrophobicContact CB-CB 4.26Å; F835-E839 HydrophobicContact CB-CG 4.19Å; G836-E839 PolarHBondContact N-OE2 3.27Å; G836-E839 WeakPolarHBondContact O-CB 3.36Å; G836-E839 PolarHBondContact O-N 3.03Å; T837-E839 PolarHBondContact O-N 3.08Å; E839-T861 HydrophobicContact CG-CG2 4.4Å; E839-T861 VanDerWaalsContact OE1-CB 3.29Å; E839-T861 WeakPolarHBondContact OE1-CB 3.44Å; E839-T861 PolarHBondContact OE1-OG1 2.92Å; E839-F863 HydrophobicContact CB-CB 4.44Å; E839-F863 HydrophobicContact CG-CD1 4.13Å; E839-R877 IonicContact OE1-CZ 3.89Å; E839-R877 IonicContact OE1-NE 3.08Å; E839-R877 PolarHBondContact OE1-NE 3.22Å; E839-R877 IonicContact OE1-NH2 3.37Å; E839-R877 PolarHBondContact OE1-NH2 3.19Å; E839-R877 IonicContact OE2-CZ 2.71Å; E839-R877 IonicContact OE2-NH2 3.9Å; E839-R877 PolarHBondContact OE2-NH2 2.92Å |
| 840 | E | 89.3 | Confident | 90.5 | Very high | 43 Ų | 43 | 22.2 Ų | 22.2 | 20% | 0.201 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 133.8 | -179.8 | -72 | -162.9 | -169.1 | 0 | 0 | 111.9 | R750 K815 S817 T861 A862 | R750-E840 IonicContact CZ-OE2 2.7Å; R750-E840 IonicContact NH1-OE2 2.72Å; R750-E840 PolarHBondContact NH1-OE2 3.28Å; R750-E840 IonicContact NH2-OE2 3.91Å; R750-E840 PolarHBondContact NH2-OE2 2.77Å; K815-E840 HydrophobicContact CD-CG 4.4Å; K815-E840 WeakPolarHBondContact CD-OE1 3.27Å; K815-E840 WeakPolarHBondContact CE-OE1 3.11Å; K815-E840 IonicContact NZ-OE1 3.72Å; K815-E840 PolarHBondContact NZ-OE1 3.37Å; S817-E840 WeakPolarHBondContact OG-CA 3.19Å; E840-T861 CarbonylContact O-C 3.48Å; E840-T861 WeakPolarHBondContact O-CA 3.41Å; E840-T861 WeakPolarHBondContact O-CB 3.32Å; E840-A862 PolarHBondContact N-O 2.9Å; E840-A862 PolarHBondContact O-N 2.91Å |
| 841 | C | 92.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 129.1 | 165.3 | -66.8 | 0 | 0 | 0 | 0 | 110 | R750 I764 S817 F835 | R750-C841 VanDerWaalsContact CD-O 3.25Å; R750-C841 WeakPolarHBondContact CD-O 3.28Å; R750-C841 PolarHBondContact NH1-O 2.84Å; I764-C841 HydrophobicContact CB-CB 3.7Å; I764-C841 HydrophobicContact CD1-CB 3.83Å; I764-C841 HydrophobicContact CG1-CB 4.27Å; I764-C841 HydrophobicContact CG2-CB 3.97Å; S817-C841 PolarHBondContact OG-N 2.88Å; F835-C841 WeakPolarHBondContact CD2-SG 3.24Å; F835-C841 WeakPolarHBondContact CE2-SG 3.49Å |
| 842 | C | 92.4 | Very high | 90.1 | Very high | 16 Ų | 16 | 31.1 Ų | 31.1 | 11% | 0.108 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | -43.2 | -172.6 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | G860 T905 P906 | C842-G860 PolarHBondContact N-O 2.81Å; C842-T905 HydrophobicContact CB-CG2 3.86Å; C842-T905 VanDerWaalsContact SG-CG2 3.51Å; C842-P906 VanDerWaalsContact CB-O 3.3Å; C842-P906 WeakPolarHBondContact CB-O 3.17Å |
| 843 | A | 95.2 | Very high | 89.6 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 149 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G860 P906 I909 | A843-G860 PolarHBondContact N-O 3.1Å; A843-G860 PolarHBondContact O-N 2.76Å; A843-P906 WeakPolarHBondContact CB-O 3.23Å; A843-I909 HydrophobicContact CB-CB 4.37Å; A843-I909 HydrophobicContact CB-CD1 3.75Å; A843-I909 HydrophobicContact CB-CG1 3.69Å |
| 844 | L | 96.9 | Very high | 89.3 | Confident | 16 Ų | 16 | 43 Ų | 43 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 140.3 | 178 | 175.5 | 67.4 | 0 | 0 | 0 | 109 | R751 A753 G762 I764 F819 Y857 V858 V859 | R751-L844 HydrophobicContact CB-CB 3.96Å; A753-L844 HydrophobicContact CB-CD2 3.84Å; A753-L844 HydrophobicContact CB-CG 3.83Å; G762-L844 WeakPolarHBondContact O-CD2 3.48Å; I764-L844 HydrophobicContact CD1-CB 4.26Å; I764-L844 HydrophobicContact CG1-CB 4.35Å; I764-L844 HydrophobicContact CG2-CB 4.22Å; I764-L844 HydrophobicContact CG2-CD1 4.47Å; I764-L844 HydrophobicContact CG2-CD2 4.37Å; F819-L844 HydrophobicContact CD2-CD1 4.19Å; F819-L844 HydrophobicContact CE2-CD1 3.71Å; F819-L844 HydrophobicContact CE2-CD2 4.32Å; L844-Y857 HydrophobicContact CD1-CD1 4.22Å; L844-V858 WeakPolarHBondContact CA-O 3.32Å; L844-V859 HydrophobicContact CD1-CG2 3.86Å |
| 845 | T | 96.3 | Very high | 89.3 | Confident | 20 Ų | 20 | 42.2 Ų | 42.2 | 12% | 0.123 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 162.4 | 167.5 | -162.2 | 0 | 0 | 0 | 0 | 110.9 | V858 I909 L916 | T845-V858 HydrophobicContact CG2-CB 3.97Å; T845-V858 HydrophobicContact CG2-CG2 4.35Å; T845-V858 PolarHBondContact N-O 2.77Å; T845-V858 VanDerWaalsContact N-O 3.07Å; T845-V858 PolarHBondContact O-N 2.89Å; T845-I909 WeakPolarHBondContact CB-O 3.4Å; T845-I909 HydrophobicContact CG2-CB 4.08Å; T845-I909 HydrophobicContact CG2-CG2 3.5Å; T845-L916 HydrophobicContact CG2-CD1 4.18Å |
| 846 | S | 95.5 | Very high | 89.5 | Confident | 31 Ų | 31 | 41.4 Ų | 41.4 | 22% | 0.217 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 129.5 | 163 | -165.6 | 0 | 0 | 0 | 0 | 110.9 | Q755 L856 | Q755-S846 WeakPolarHBondContact CG-OG 3.49Å; Q755-S846 PolarHBondContact NE2-OG 3.07Å; Q755-S846 VanDerWaalsContact NE2-OG 3.07Å; S846-L856 VanDerWaalsContact CA-O 3.29Å; S846-L856 WeakPolarHBondContact CA-O 3.42Å; S846-L856 PolarHBondContact OG-O 3.41Å |
| 847 | C | 94.6 | Very high | 90.3 | Very high | 17 Ų | 17 | 40 Ų | 40 | 12% | 0.115 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 161 | -179.3 | 57.3 | 0 | 0 | 0 | 0 | 112 | L856 | C847-L856 PolarHBondContact N-O 3.23Å; C847-L856 VanDerWaalsContact N-O 3.11Å; C847-L856 PolarHBondContact O-N 2.79Å |
| 848 | H | 94.4 | Very high | 91.5 | Very high | 69 Ų | 69 | 36.4 Ų | 36.4 | 32% | 0.319 | 18% | 0.184 | S | C | . | . | trans | -83.3 | 128.3 | 168 | -65.5 | 84.1 | 0 | 0 | 0 | 109 | E757 K853 R914 | E757-H848 IonicContact OE1-CE1 2.71Å; E757-H848 PolarHBondContact OE1-CE1 2.87Å; E757-H848 IonicContact OE1-NE2 2.98Å; H848-K853 PolarHBondContact CD2-O 2.83Å; H848-K853 PolarHBondContact NE2-O 3.39Å; H848-R914 WeakPolarHBondContact O-CA 3.35Å | ||
| 849 | L | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -119.1 | 139 | -179.7 | -63.4 | 173.6 | 0 | 0 | 0 | 111.4 | H851 K852 L856 V858 V880 R914 L916 F929 | L849-H851 PolarHBondContact O-N 2.99Å; L849-K852 PolarHBondContact O-N 2.77Å; L849-L856 HydrophobicContact CB-CD1 4.2Å; L849-L856 HydrophobicContact CD1-CD1 4.27Å; L849-V858 HydrophobicContact CD1-CG2 3.92Å; L849-V880 HydrophobicContact CD1-CG1 4.4Å; L849-R914 WeakPolarHBondContact CA-O 3.43Å; L849-L916 HydrophobicContact CD2-CB 4.16Å; L849-L916 HydrophobicContact CD2-CD1 4.28Å; L849-F929 HydrophobicContact CB-CB 3.79Å; L849-F929 HydrophobicContact CB-CD1 4.06Å; L849-F929 HydrophobicContact CB-CG 4Å; L849-F929 HydrophobicContact CD1-CB 4.4Å | ||
| 850 | G | 88.4 | Confident | 92.8 | Very high | 16 Ų | 16 | 34.3 Ų | 34.3 | 17% | 0.165 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | -124.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R914 | G850-R914 PolarHBondContact N-O 3.3Å; G850-R914 WeakPolarHBondContact O-CD 3.24Å; G850-R914 PolarHBondContact O-NH1 3.12Å |
| 851 | H | 86.7 | Confident | 93.1 | Very high | 179 Ų | 179 | 32.3 Ų | 32.3 | 83% | 0.829 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -2.3 | -179.2 | -64.5 | -66.7 | 0 | 0 | 0 | 114.4 | L849 K853 | L849-H851 PolarHBondContact O-N 2.99Å; H851-K853 PolarHBondContact O-N 3.3Å |
| 852 | K | 86.7 | Confident | 93 | Very high | 36 Ų | 36 | 32.7 Ų | 32.7 | 16% | 0.157 | 17% | 0.166 | C | C | . | . | trans | -62.3 | 134.1 | 178.2 | -80.8 | -92.7 | -175.9 | 167.7 | 0 | 110.6 | L849 L856 E882 F929 E931 | L849-K852 PolarHBondContact O-N 2.77Å; K852-L856 HydrophobicContact CG-CD1 4.49Å; K852-E882 IonicContact NZ-OE1 2.73Å; K852-E882 IonicContact NZ-OE2 3.67Å; K852-E882 PolarHBondContact NZ-OE2 3.38Å; K852-F929 HydrophobicContact CG-CE1 4.41Å; K852-E931 WeakPolarHBondContact CE-OE1 3.11Å; K852-E931 VanDerWaalsContact CE-OE2 3.27Å; K852-E931 WeakPolarHBondContact CE-OE2 3.44Å; K852-E931 IonicContact NZ-OE1 3.12Å | ||
| 853 | K | 84.4 | Confident | 92.8 | Very high | 190 Ų | 190 | 32.1 Ų | 32.1 | 83% | 0.826 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -80.6 | -33.7 | 173.6 | -84.5 | -173.3 | 176.1 | -179.8 | 0 | 112.6 | H848 H851 | H848-K853 PolarHBondContact CD2-O 2.83Å; H848-K853 PolarHBondContact NE2-O 3.39Å; H851-K853 PolarHBondContact O-N 3.3Å |
| 854 | N | 88.3 | Confident | 92.1 | Very high | 79 Ų | 79 | 35.6 Ų | 35.6 | 42% | 0.422 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -79.9 | 143.6 | 178.9 | -64.5 | -19 | 0 | 0 | 0 | 109.7 | E882 | N854-E882 PolarHBondContact ND2-OE1 2.85Å; N854-E882 VanDerWaalsContact ND2-OE1 3.13Å |
| 855 | P | 92.8 | Very high | 91.1 | Very high | 7 Ų | 7 | 36 Ų | 36 | 5% | 0.045 | 18% | 0.182 | C | C | . | . | trans | -68.7 | 147 | 171.1 | 31.7 | -36.7 | 0 | 0 | 0 | 110.1 | Q755 E757 | Q755-P855 HydrophobicContact CB-CG 4.4Å; Q755-P855 HydrophobicContact CG-CB 4.13Å; Q755-P855 HydrophobicContact CG-CG 4Å; Q755-P855 PolarHBondContact NE2-O 3.03Å; E757-P855 HydrophobicContact CB-CG 4.05Å; E757-P855 HydrophobicContact CG-CG 4.26Å | ||
| 856 | L | 95.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 150.8 | 178.4 | -61.7 | 172.9 | 0 | 0 | 0 | 109.8 | S846 C847 L849 K852 V880 E882 L897 | S846-L856 VanDerWaalsContact CA-O 3.29Å; S846-L856 WeakPolarHBondContact CA-O 3.42Å; S846-L856 PolarHBondContact OG-O 3.41Å; C847-L856 PolarHBondContact N-O 3.23Å; C847-L856 VanDerWaalsContact N-O 3.11Å; C847-L856 PolarHBondContact O-N 2.79Å; L849-L856 HydrophobicContact CB-CD1 4.2Å; L849-L856 HydrophobicContact CD1-CD1 4.27Å; K852-L856 HydrophobicContact CG-CD1 4.49Å; L856-V880 HydrophobicContact CB-CG1 4.23Å; L856-V880 HydrophobicContact CD1-CG1 3.79Å; L856-V880 HydrophobicContact CG-CG1 4.48Å; L856-E882 HydrophobicContact CD2-CB 3.57Å; L856-E882 HydrophobicContact CD2-CG 3.88Å; L856-L897 HydrophobicContact CD1-CD1 4.01Å; L856-L897 HydrophobicContact CD2-CD1 3.67Å |
| 857 | Y | 97 | Very high | 88.4 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 135.3 | 165.2 | -75.4 | -68.7 | 0 | 0 | 0 | 108.7 | A753 Q755 T760 G762 F819 L844 L881 | A753-Y857 HydrophobicContact CB-CE1 4.26Å; Q755-Y857 VanDerWaalsContact CD-CZ 3.46Å; Q755-Y857 HydrophobicContact CG-CE1 3.93Å; Q755-Y857 HydrophobicContact CG-CE2 3.91Å; Q755-Y857 WeakPolarHBondContact CG-OH 3.48Å; T760-Y857 PolarHBondContact O-OH 2.97Å; T760-Y857 PolarHBondContact OG1-OH 2.83Å; G762-Y857 PolarHBondContact N-OH 3.2Å; F819-Y857 HydrophobicContact CE2-CD1 4.46Å; F819-Y857 HydrophobicContact CE2-CG 4.48Å; F819-Y857 HydrophobicContact CZ-CD1 4.09Å; F819-Y857 AromaticContact CZ-CD2 3.89Å; F819-Y857 HydrophobicContact CZ-CD2 3.89Å; F819-Y857 HydrophobicContact CZ-CE2 4.41Å; F819-Y857 AromaticContact CZ-CG 3.7Å; F819-Y857 HydrophobicContact CZ-CG 3.7Å; L844-Y857 HydrophobicContact CD1-CD1 4.22Å; Y857-L881 PolarHBondContact N-O 3.2Å; Y857-L881 PolarHBondContact O-N 2.93Å |
| 858 | V | 96.9 | Very high | 87 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 120.7 | 172.8 | -170.1 | 0 | 0 | 0 | 0 | 108.8 | L844 T845 L849 L879 V880 I909 L916 | L844-V858 WeakPolarHBondContact CA-O 3.32Å; T845-V858 HydrophobicContact CG2-CB 3.97Å; T845-V858 HydrophobicContact CG2-CG2 4.35Å; T845-V858 PolarHBondContact N-O 2.77Å; T845-V858 VanDerWaalsContact N-O 3.07Å; T845-V858 PolarHBondContact O-N 2.89Å; L849-V858 HydrophobicContact CD1-CG2 3.92Å; V858-L879 WeakPolarHBondContact CA-O 3.48Å; V858-V880 HydrophobicContact CG1-CG2 4.26Å; V858-V880 HydrophobicContact CG2-CG2 4.24Å; V858-I909 HydrophobicContact CB-CG2 4.42Å; V858-I909 HydrophobicContact CG1-CD1 4.31Å; V858-I909 HydrophobicContact CG1-CG2 4.27Å; V858-L916 HydrophobicContact CB-CD1 4.44Å; V858-L916 HydrophobicContact CG1-CD1 4.49Å; V858-L916 HydrophobicContact CG1-CD2 3.93Å; V858-L916 HydrophobicContact CG2-CD1 4.1Å |
| 859 | V | 96.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 125.3 | -178.7 | -176.9 | 0 | 0 | 0 | 0 | 109 | I764 F819 F835 L844 T861 L878 L879 L881 | I764-V859 HydrophobicContact CG2-CG1 4.07Å; F819-V859 HydrophobicContact CB-CG2 4.46Å; F819-V859 HydrophobicContact CD1-CG2 4.34Å; F819-V859 HydrophobicContact CD2-CG2 3.99Å; F819-V859 HydrophobicContact CE2-CG2 4.31Å; F819-V859 HydrophobicContact CG-CG2 4Å; F835-V859 HydrophobicContact CE2-CG1 4.49Å; F835-V859 HydrophobicContact CZ-CG1 3.97Å; L844-V859 HydrophobicContact CD1-CG2 3.86Å; V859-T861 HydrophobicContact CG1-CG2 4.03Å; V859-L878 WeakPolarHBondContact O-CA 3.33Å; V859-L879 HydrophobicContact CB-CD1 4.45Å; V859-L879 PolarHBondContact N-O 2.91Å; V859-L879 PolarHBondContact O-N 3.16Å; V859-L881 HydrophobicContact CG2-CD1 3.82Å |
| 860 | G | 95.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 124.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | C842 A843 R877 | C842-G860 PolarHBondContact N-O 2.81Å; A843-G860 PolarHBondContact N-O 3.1Å; A843-G860 PolarHBondContact O-N 2.76Å; G860-R877 WeakPolarHBondContact CA-O 3.46Å |
| 861 | T | 94.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 160.2 | 174.4 | 69.4 | 0 | 0 | 0 | 0 | 111.4 | F835 E839 E840 V859 G876 R877 L879 P906 | F835-T861 HydrophobicContact CD1-CG2 4Å; F835-T861 HydrophobicContact CE1-CG2 3.77Å; F835-T861 HydrophobicContact CG-CG2 4.47Å; F835-T861 HydrophobicContact CZ-CG2 4.05Å; E839-T861 HydrophobicContact CG-CG2 4.4Å; E839-T861 VanDerWaalsContact OE1-CB 3.29Å; E839-T861 WeakPolarHBondContact OE1-CB 3.44Å; E839-T861 PolarHBondContact OE1-OG1 2.92Å; E840-T861 CarbonylContact O-C 3.48Å; E840-T861 WeakPolarHBondContact O-CA 3.41Å; E840-T861 WeakPolarHBondContact O-CB 3.32Å; V859-T861 HydrophobicContact CG1-CG2 4.03Å; T861-G876 CarbonylContact O-C 3.49Å; T861-G876 WeakPolarHBondContact O-CA 3.34Å; T861-R877 PolarHBondContact N-O 3.43Å; T861-R877 PolarHBondContact O-N 2.83Å; T861-R877 WeakPolarHBondContact OG1-CG 3.35Å; T861-L879 HydrophobicContact CG2-CD1 3.84Å; T861-P906 WeakPolarHBondContact O-CD 3.41Å |
| 862 | A | 91.8 | Very high | 81.5 | Confident | 8 Ų | 8 | 58.3 Ų | 58.3 | 7% | 0.066 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 147.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E840 V874 Q875 T905 | E840-A862 PolarHBondContact N-O 2.9Å; E840-A862 PolarHBondContact O-N 2.91Å; A862-V874 HydrophobicContact CB-CG1 4.11Å; A862-Q875 WeakPolarHBondContact CA-O 3.24Å; A862-T905 HydrophobicContact CB-CG2 3.85Å |
| 863 | F | 87.4 | Confident | 81.2 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 158.2 | 178.8 | 50.6 | -90.9 | 0 | 0 | 0 | 110.8 | L803 E839 I865 Q875 R877 Y901 | L803-F863 HydrophobicContact CD2-CB 3.65Å; L803-F863 HydrophobicContact CD2-CD2 3.58Å; L803-F863 HydrophobicContact CD2-CE2 4.5Å; L803-F863 HydrophobicContact CD2-CG 3.79Å; E839-F863 HydrophobicContact CB-CB 4.44Å; E839-F863 HydrophobicContact CG-CD1 4.13Å; F863-I865 HydrophobicContact CD2-CG2 3.8Å; F863-I865 HydrophobicContact CE2-CG2 3.7Å; F863-Q875 HydrophobicContact CE2-CB 4.01Å; F863-Q875 HydrophobicContact CE2-CG 4.38Å; F863-Q875 HydrophobicContact CZ-CB 4.31Å; F863-Q875 HydrophobicContact CZ-CG 4.28Å; F863-Q875 PolarHBondContact N-O 2.87Å; F863-Q875 PolarHBondContact O-N 3.22Å; F863-Q875 VanDerWaalsContact O-O 3.14Å; F863-R877 HydrophobicContact CE1-CG 4.12Å; F863-Y901 HydrophobicContact CZ-CD1 4.26Å; F863-Y901 AromaticContact CZ-CE1 3.95Å; F863-Y901 HydrophobicContact CZ-CE1 3.95Å |
| 864 | N | 81.7 | Confident | 81.3 | Confident | 76 Ų | 76 | 51.8 Ų | 51.8 | 41% | 0.406 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 127.2 | -179.8 | -69.3 | -28.4 | 0 | 0 | 0 | 110.9 | I872 | N864-I872 HydrophobicContact CB-CG2 3.83Å |
| 865 | I | 75.3 | Confident | 81.3 | Confident | 23 Ų | 23 | 49.5 Ų | 49.5 | 12% | 0.118 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 152.5 | 172.9 | 54.4 | 154.5 | 0 | 0 | 0 | 110.7 | L801 F863 I872 V873 Q875 | L801-I865 HydrophobicContact CB-CG2 4.49Å; F863-I865 HydrophobicContact CD2-CG2 3.8Å; F863-I865 HydrophobicContact CE2-CG2 3.7Å; I865-I872 WeakPolarHBondContact O-CA 3.31Å; I865-V873 HydrophobicContact CD1-CB 4.48Å; I865-V873 HydrophobicContact CG1-CB 4.21Å; I865-V873 WeakPolarHBondContact CG1-O 3.37Å; I865-V873 PolarHBondContact N-O 3.48Å; I865-V873 PolarHBondContact O-N 3.2Å; I865-Q875 HydrophobicContact CD1-CB 4.1Å; I865-Q875 HydrophobicContact CG1-CB 4.04Å; I865-Q875 HydrophobicContact CG2-CB 4.43Å |
| 866 | R | 68.4 | Low | 81.2 | Confident | 174 Ų | 174 | 49.2 Ų | 49.2 | 66% | 0.657 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 121 | 173.3 | -125.8 | 167.7 | -157.6 | -161.2 | 1.7 | 108.5 | I804 | I804-R866 HydrophobicContact CD1-CB 3.71Å; I804-R866 HydrophobicContact CD1-CG 3.48Å; I804-R866 VanDerWaalsContact CD1-CG 3.48Å; I804-R866 HydrophobicContact CG1-CB 3.74Å; I804-R866 HydrophobicContact CG1-CG 3.85Å |
| 867 | E | 66.4 | Low | 81.1 | Confident | 121 Ų | 121 | 49.7 Ų | 49.7 | 57% | 0.565 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 107.6 | 173.1 | -159.8 | 173.1 | -165.6 | 0 | 0 | 109.1 | A871 V873 | E867-A871 PolarHBondContact N-O 3.42Å; E867-A871 PolarHBondContact O-N 2.97Å; E867-V873 HydrophobicContact CB-CG2 3.91Å; E867-V873 VanDerWaalsContact OE2-CG2 3.3Å; E867-V873 WeakPolarHBondContact OE2-CG2 3.27Å |
| 868 | G | 66.1 | Low | 81 | Confident | 62 Ų | 62 | 49.7 Ų | 49.7 | 64% | 0.639 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | -153.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 869 | D | 59.2 | Low | 80.9 | Confident | 167 Ų | 167 | 49.8 Ų | 49.8 | 89% | 0.893 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -19.4 | -169.6 | -76.1 | -25.8 | 0 | 0 | 0 | 114.6 | ||
| 870 | C | 57.2 | Low | 80.8 | Confident | 126 Ų | 126 | 49.8 Ų | 49.8 | 85% | 0.851 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -149.9 | -7.2 | -173.4 | -76.9 | 0 | 0 | 0 | 0 | 117.1 | ||
| 871 | A | 61.2 | Low | 80.7 | Confident | 50 Ų | 50 | 49.8 Ų | 49.8 | 41% | 0.413 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E867 | E867-A871 PolarHBondContact N-O 3.42Å; E867-A871 PolarHBondContact O-N 2.97Å |
| 872 | I | 69.4 | Low | 80.7 | Confident | 102 Ų | 102 | 50.5 Ų | 50.5 | 52% | 0.523 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 123.3 | 169.1 | -59.4 | 173.7 | 0 | 0 | 0 | 107 | I804 N864 I865 | I804-I872 HydrophobicContact CD1-CD1 4.48Å; I804-I872 HydrophobicContact CD1-CG1 3.98Å; I804-I872 HydrophobicContact CD1-CG2 4.27Å; N864-I872 HydrophobicContact CB-CG2 3.83Å; I865-I872 WeakPolarHBondContact O-CA 3.31Å |
| 873 | V | 80.4 | Confident | 80.7 | Confident | 46 Ų | 46 | 50.4 Ų | 50.4 | 28% | 0.279 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 138.1 | 177.8 | -173.2 | 0 | 0 | 0 | 0 | 109 | I865 E867 | I865-V873 HydrophobicContact CD1-CB 4.48Å; I865-V873 HydrophobicContact CG1-CB 4.21Å; I865-V873 WeakPolarHBondContact CG1-O 3.37Å; I865-V873 PolarHBondContact N-O 3.48Å; I865-V873 PolarHBondContact O-N 3.2Å; E867-V873 HydrophobicContact CB-CG2 3.91Å; E867-V873 VanDerWaalsContact OE2-CG2 3.3Å; E867-V873 WeakPolarHBondContact OE2-CG2 3.27Å |
| 874 | V | 84.8 | Confident | 80.8 | Confident | 43 Ų | 43 | 53.1 Ų | 53.1 | 26% | 0.261 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 121.5 | 174.9 | -172.8 | 0 | 0 | 0 | 0 | 108.1 | A862 G904 T905 | A862-V874 HydrophobicContact CB-CG1 4.11Å; V874-G904 WeakPolarHBondContact O-CA 3.24Å; V874-G904 PolarHBondContact O-N 3.25Å; V874-T905 WeakPolarHBondContact CG1-OG1 3.41Å |
| 875 | Q | 89 | Confident | 80.6 | Confident | 31 Ų | 31 | 53 Ų | 53 | 15% | 0.145 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 137.4 | 173.2 | -171.7 | 150.6 | 24 | 0 | 0 | 109.9 | A862 F863 I865 Y901 | A862-Q875 WeakPolarHBondContact CA-O 3.24Å; F863-Q875 HydrophobicContact CE2-CB 4.01Å; F863-Q875 HydrophobicContact CE2-CG 4.38Å; F863-Q875 HydrophobicContact CZ-CB 4.31Å; F863-Q875 HydrophobicContact CZ-CG 4.28Å; F863-Q875 PolarHBondContact N-O 2.87Å; F863-Q875 PolarHBondContact O-N 3.22Å; F863-Q875 VanDerWaalsContact O-O 3.14Å; I865-Q875 HydrophobicContact CD1-CB 4.1Å; I865-Q875 HydrophobicContact CG1-CB 4.04Å; I865-Q875 HydrophobicContact CG2-CB 4.43Å; Q875-Y901 HydrophobicContact CG-CD1 4.44Å |
| 876 | G | 91.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 162.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T861 Y901 V902 G904 | T861-G876 CarbonylContact O-C 3.49Å; T861-G876 WeakPolarHBondContact O-CA 3.34Å; G876-Y901 WeakPolarHBondContact O-CA 3.27Å; G876-V902 PolarHBondContact N-O 3.27Å; G876-V902 PolarHBondContact O-N 3.12Å; G876-G904 VanDerWaalsContact CA-O 3.25Å; G876-G904 WeakPolarHBondContact CA-O 3.33Å; G876-G904 PolarHBondContact N-O 2.95Å; G876-G904 VanDerWaalsContact N-O 3.15Å |
| 877 | R | 92.2 | Very high | 79.7 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 150.3 | 166.2 | 64.7 | 177.9 | -179.1 | 176.7 | -2.5 | 112 | N799 E839 G860 T861 F863 L879 N900 Y901 | N799-R877 PolarHBondContact OD1-NH1 3.22Å; N799-R877 PolarHBondContact OD1-NH2 3.1Å; E839-R877 IonicContact OE1-CZ 3.89Å; E839-R877 IonicContact OE1-NE 3.08Å; E839-R877 PolarHBondContact OE1-NE 3.22Å; E839-R877 IonicContact OE1-NH2 3.37Å; E839-R877 PolarHBondContact OE1-NH2 3.19Å; E839-R877 IonicContact OE2-CZ 2.71Å; E839-R877 IonicContact OE2-NH2 3.9Å; E839-R877 PolarHBondContact OE2-NH2 2.92Å; G860-R877 WeakPolarHBondContact CA-O 3.46Å; T861-R877 PolarHBondContact N-O 3.43Å; T861-R877 PolarHBondContact O-N 2.83Å; T861-R877 WeakPolarHBondContact OG1-CG 3.35Å; F863-R877 HydrophobicContact CE1-CG 4.12Å; R877-L879 HydrophobicContact CG-CD1 4.28Å; R877-N900 CarbonylContact C-O 3.48Å; R877-N900 VanDerWaalsContact CA-O 3.23Å; R877-N900 WeakPolarHBondContact CA-O 3.11Å; R877-Y901 HydrophobicContact CB-CD1 4.01Å; R877-Y901 HydrophobicContact CB-CE1 4.25Å |
| 878 | L | 95 | Very high | 79.3 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 121.5 | 177.1 | -57.3 | 174.6 | 0 | 0 | 0 | 108 | V859 C899 N900 V902 P906 I909 V918 Y927 L938 | V859-L878 WeakPolarHBondContact O-CA 3.33Å; L878-C899 WeakPolarHBondContact O-CA 3.5Å; L878-N900 HydrophobicContact CB-CB 4.47Å; L878-N900 PolarHBondContact N-O 2.99Å; L878-N900 PolarHBondContact O-N 2.66Å; L878-V902 HydrophobicContact CD1-CG1 3.99Å; L878-V902 HydrophobicContact CG-CG1 4.22Å; L878-P906 HydrophobicContact CD2-CB 3.93Å; L878-P906 HydrophobicContact CD2-CG 4.02Å; L878-I909 HydrophobicContact CD2-CD1 3.69Å; L878-I909 HydrophobicContact CD2-CG1 4.32Å; L878-V918 HydrophobicContact CD1-CG1 4.22Å; L878-V918 HydrophobicContact CD1-CG2 3.83Å; L878-V918 HydrophobicContact CD2-CG1 4.02Å; L878-V918 HydrophobicContact CD2-CG2 4.47Å; L878-Y927 HydrophobicContact CD1-CE2 4.44Å; L878-L938 HydrophobicContact CB-CD1 4.26Å; L878-L938 HydrophobicContact CD1-CD1 4.28Å |
| 879 | L | 94.6 | Very high | 79.1 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122.1 | 176.8 | -58.9 | 117.8 | 0 | 0 | 0 | 109.1 | F835 V858 V859 T861 R877 L896 | F835-L879 HydrophobicContact CE1-CD1 3.66Å; F835-L879 HydrophobicContact CZ-CD1 4.27Å; V858-L879 WeakPolarHBondContact CA-O 3.48Å; V859-L879 HydrophobicContact CB-CD1 4.45Å; V859-L879 PolarHBondContact N-O 2.91Å; V859-L879 PolarHBondContact O-N 3.16Å; T861-L879 HydrophobicContact CG2-CD1 3.84Å; R877-L879 HydrophobicContact CG-CD1 4.28Å; L879-L896 HydrophobicContact CB-CD1 3.93Å; L879-L896 HydrophobicContact CD2-CD1 3.79Å; L879-L896 HydrophobicContact CD2-CD2 4.36Å; L879-L896 HydrophobicContact CG-CD1 4.43Å |
| 880 | V | 95.3 | Very high | 79.3 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 117 | 174.5 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | L849 L856 V858 L897 C898 F929 L938 | L849-V880 HydrophobicContact CD1-CG1 4.4Å; L856-V880 HydrophobicContact CB-CG1 4.23Å; L856-V880 HydrophobicContact CD1-CG1 3.79Å; L856-V880 HydrophobicContact CG-CG1 4.48Å; V858-V880 HydrophobicContact CG1-CG2 4.26Å; V858-V880 HydrophobicContact CG2-CG2 4.24Å; V880-L897 HydrophobicContact CG1-CB 4.38Å; V880-L897 HydrophobicContact CG1-CD1 4.25Å; V880-L897 PolarHBondContact O-N 2.97Å; V880-C898 WeakPolarHBondContact CG2-SG 3.37Å; V880-C898 PolarHBondContact N-O 3.22Å; V880-F929 HydrophobicContact CG1-CE2 4.18Å; V880-L938 HydrophobicContact CG2-CD1 3.77Å; V880-L938 HydrophobicContact CG2-CG 4.29Å |
| 881 | L | 94.7 | Very high | 79.9 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.9 | -171.4 | -60.5 | 164.7 | 0 | 0 | 0 | 110.2 | F819 Y857 V859 L894 S895 L896 | F819-L881 HydrophobicContact CD1-CD1 3.69Å; F819-L881 HydrophobicContact CE1-CD1 3.74Å; Y857-L881 PolarHBondContact N-O 3.2Å; Y857-L881 PolarHBondContact O-N 2.93Å; V859-L881 HydrophobicContact CG2-CD1 3.82Å; L881-L894 HydrophobicContact CB-CD1 3.97Å; L881-L894 HydrophobicContact CD2-CD2 4.42Å; L881-L894 HydrophobicContact CD2-CG 4.35Å; L881-S895 WeakPolarHBondContact CA-O 3.4Å; L881-L896 HydrophobicContact CD2-CB 4.09Å; L881-L896 HydrophobicContact CD2-CD1 3.73Å |
| 882 | E | 93.9 | Very high | 80.7 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.6 | 171.3 | -174.9 | 167.4 | -155.2 | 0 | 0 | 109.2 | K852 N854 L856 S895 L897 | K852-E882 IonicContact NZ-OE1 2.73Å; K852-E882 IonicContact NZ-OE2 3.67Å; K852-E882 PolarHBondContact NZ-OE2 3.38Å; N854-E882 PolarHBondContact ND2-OE1 2.85Å; N854-E882 VanDerWaalsContact ND2-OE1 3.13Å; L856-E882 HydrophobicContact CD2-CB 3.57Å; L856-E882 HydrophobicContact CD2-CG 3.88Å; E882-S895 PolarHBondContact N-O 2.82Å; E882-S895 PolarHBondContact O-N 2.81Å; E882-S895 PolarHBondContact O-OG 3.28Å; E882-L897 HydrophobicContact CB-CD1 4.11Å; E882-L897 HydrophobicContact CB-CD2 4.45Å; E882-L897 HydrophobicContact CB-CG 4.25Å |
| 883 | Y | 92.1 | Very high | 81.6 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 2% | 0.02 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 119.7 | 175.5 | -178.5 | -110.5 | 0 | 0 | 0 | 110.1 | T760 I821 R885 L894 | T760-Y883 HydrophobicContact CG2-CD1 4.14Å; T760-Y883 HydrophobicContact CG2-CE1 3.76Å; I821-Y883 HydrophobicContact CD1-CD1 4.38Å; I821-Y883 HydrophobicContact CD1-CD2 3.35Å; I821-Y883 HydrophobicContact CD1-CE2 3.9Å; I821-Y883 HydrophobicContact CD1-CG 3.61Å; I821-Y883 HydrophobicContact CG2-CD1 4.16Å; I821-Y883 HydrophobicContact CG2-CD2 4.46Å; I821-Y883 HydrophobicContact CG2-CE1 3.94Å; I821-Y883 HydrophobicContact CG2-CE2 4.25Å; I821-Y883 HydrophobicContact CG2-CG 4.4Å; Y883-R885 HydrophobicContact CE1-CB 3.95Å; Y883-R885 HydrophobicContact CE1-CG 4.43Å; Y883-L894 HydrophobicContact CD2-CB 4.44Å; Y883-L894 HydrophobicContact CD2-CD1 4.27Å |
| 884 | N | 88.4 | Confident | 82.1 | Confident | 62 Ų | 62 | 46.5 Ų | 46.5 | 33% | 0.332 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 109.5 | 177.3 | -67.9 | -52.7 | 0 | 0 | 0 | 109.3 | G892 S893 | N884-G892 CarbonylContact O-C 3.54Å; N884-G892 VanDerWaalsContact O-CA 3.28Å; N884-G892 WeakPolarHBondContact O-CA 3.47Å; N884-S893 PolarHBondContact N-O 2.84Å; N884-S893 PolarHBondContact O-N 3.03Å |
| 885 | R | 77.6 | Confident | 82.4 | Confident | 72 Ų | 72 | 46.5 Ų | 46.5 | 27% | 0.272 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 125.8 | 175.1 | -167.8 | 172.8 | -176.3 | 164.5 | 4 | 109.6 | T758 S759 D823 Y883 | T758-R885 WeakPolarHBondContact O-CD 3.33Å; T758-R885 PolarHBondContact O-NH1 2.99Å; S759-R885 PolarHBondContact O-NH1 3.12Å; D823-R885 IonicContact OD2-CZ 3.44Å; D823-R885 VanDerWaalsContact OD2-CZ 3.24Å; D823-R885 IonicContact OD2-NH1 3.71Å; D823-R885 PolarHBondContact OD2-NH1 2.9Å; D823-R885 IonicContact OD2-NH2 3.08Å; D823-R885 PolarHBondContact OD2-NH2 3.39Å; Y883-R885 HydrophobicContact CE1-CB 3.95Å; Y883-R885 HydrophobicContact CE1-CG 4.43Å |
| 886 | Q | 69.4 | Low | 82.5 | Confident | 120 Ų | 120 | 48.6 Ų | 48.6 | 56% | 0.561 | 26% | 0.262 | S | S | * | . | trans | -82.7 | 139.4 | 170.8 | -64.5 | -169.5 | 4.2 | 0 | 0 | 109.2 | S888 S889 E891 | Q886-S888 PolarHBondContact O-N 2.9Å; Q886-S888 VanDerWaalsContact O-N 3.1Å; Q886-S889 PolarHBondContact O-N 2.74Å; Q886-S889 PolarHBondContact O-OG 2.79Å; Q886-E891 PolarHBondContact N-O 2.83Å | ||
| 887 | N | 56.2 | Low | 82.5 | Confident | 154 Ų | 154 | 50.3 Ų | 50.3 | 82% | 0.824 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -38.6 | 113.1 | -168.3 | -76.8 | -19.1 | 0 | 0 | 0 | 114.3 | S889 | N887-S889 PolarHBondContact O-N 2.96Š|
| 888 | S | 58 | Low | 82.4 | Confident | 120 Ų | 120 | 50.2 Ų | 50.2 | 84% | 0.839 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 0.6 | 172 | 47.1 | 0 | 0 | 0 | 0 | 117.6 | Q886 | Q886-S888 PolarHBondContact O-N 2.9Å; Q886-S888 VanDerWaalsContact O-N 3.1Å |
| 889 | S | 60.3 | Low | 82.3 | Confident | 43 Ų | 43 | 52.4 Ų | 52.4 | 30% | 0.301 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -85.8 | 159.8 | 175.8 | 61.9 | 0 | 0 | 0 | 0 | 110.7 | Q886 N887 E891 | Q886-S889 PolarHBondContact O-N 2.74Å; Q886-S889 PolarHBondContact O-OG 2.79Å; N887-S889 PolarHBondContact O-N 2.96Å; S889-E891 PolarHBondContact O-N 2.77Å |
| 890 | K | 65.1 | Low | 82.2 | Confident | 113 Ų | 113 | 54.1 Ų | 54.1 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -71.7 | -1.4 | 169.8 | -61.3 | -165.1 | -177.4 | -157.9 | 0 | 112.5 | F791 D828 L830 | F791-K890 HydrophobicContact CD1-CB 4.42Å; F791-K890 WeakPolarHBondContact CD1-O 2.77Å; F791-K890 HydrophobicContact CG-CB 4.49Å; D828-K890 IonicContact OD2-NZ 2.63Å; D828-K890 PolarHBondContact OD2-NZ 3.49Å; L830-K890 HydrophobicContact CD2-CB 4.43Å |
| 891 | E | 68.5 | Low | 82 | Confident | 99 Ų | 99 | 58.5 Ų | 58.5 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | trans | -91.5 | 126.2 | 179.6 | -75.8 | 176.4 | -179.7 | 0 | 0 | 110.9 | F791 Q886 S889 | F791-E891 HydrophobicContact CE1-CG 3.65Å; F791-E891 HydrophobicContact CZ-CG 4.31Å; Q886-E891 PolarHBondContact N-O 2.83Å; S889-E891 PolarHBondContact O-N 2.77Å | ||
| 892 | G | 79.3 | Confident | 81.9 | Confident | 6 Ų | 6 | 58.9 Ų | 58.9 | 6% | 0.062 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 155.6 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q792 N884 | Q792-G892 PolarHBondContact OE1-O 2.82Å; N884-G892 CarbonylContact O-C 3.54Å; N884-G892 VanDerWaalsContact O-CA 3.28Å; N884-G892 WeakPolarHBondContact O-CA 3.47Å |
| 893 | S | 87.6 | Confident | 81.7 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 39% | 0.392 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 133.1 | -179.5 | 62.4 | 0 | 0 | 0 | 0 | 110.8 | N884 | N884-S893 PolarHBondContact N-O 2.84Å; N884-S893 PolarHBondContact O-N 3.03Å |
| 894 | L | 90.5 | Very high | 81.6 | Confident | 25 Ų | 25 | 64.4 Ų | 64.4 | 13% | 0.131 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.3 | 172.2 | -170.3 | 64.5 | 0 | 0 | 0 | 109.9 | F819 I821 Y831 Y833 L881 Y883 | F819-L894 HydrophobicContact CD1-CD2 4.3Å; F819-L894 HydrophobicContact CE1-CD2 4.33Å; I821-L894 HydrophobicContact CD1-CD1 3.69Å; I821-L894 HydrophobicContact CD1-CD2 4.33Å; I821-L894 HydrophobicContact CD1-CG 4.48Å; Y831-L894 HydrophobicContact CD1-CB 4.13Å; Y831-L894 HydrophobicContact CD1-CD2 3.9Å; Y831-L894 HydrophobicContact CE1-CB 3.84Å; Y831-L894 HydrophobicContact CE1-CD2 3.83Å; Y831-L894 HydrophobicContact CE2-CB 4.27Å; Y831-L894 HydrophobicContact CG-CB 4.48Å; Y833-L894 HydrophobicContact CD2-CD2 3.9Å; Y833-L894 HydrophobicContact CG-CD2 4.17Å; L881-L894 HydrophobicContact CB-CD1 3.97Å; L881-L894 HydrophobicContact CD2-CD2 4.42Å; L881-L894 HydrophobicContact CD2-CG 4.35Å; Y883-L894 HydrophobicContact CD2-CB 4.44Å; Y883-L894 HydrophobicContact CD2-CD1 4.27Å |
| 895 | S | 90.8 | Very high | 81.7 | Confident | 42 Ų | 42 | 62.6 Ų | 62.6 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131.6 | 175.9 | 50.1 | 0 | 0 | 0 | 0 | 111.4 | L881 E882 | L881-S895 WeakPolarHBondContact CA-O 3.4Å; E882-S895 PolarHBondContact N-O 2.82Å; E882-S895 PolarHBondContact O-N 2.81Å; E882-S895 PolarHBondContact O-OG 3.28Å |
| 896 | L | 91.2 | Very high | 82.5 | Confident | 75 Ų | 75 | 59.2 Ų | 59.2 | 39% | 0.393 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 115.6 | 170.7 | 178.2 | 67.1 | 0 | 0 | 0 | 109.5 | L879 L881 C898 | L879-L896 HydrophobicContact CB-CD1 3.93Å; L879-L896 HydrophobicContact CD2-CD1 3.79Å; L879-L896 HydrophobicContact CD2-CD2 4.36Å; L879-L896 HydrophobicContact CG-CD1 4.43Å; L881-L896 HydrophobicContact CD2-CB 4.09Å; L881-L896 HydrophobicContact CD2-CD1 3.73Å; L896-C898 WeakPolarHBondContact CD1-O 3.4Å |
| 897 | L | 91.3 | Very high | 83.6 | Confident | 37 Ų | 37 | 57.1 Ų | 57.1 | 19% | 0.194 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -48.4 | 179.7 | -61.5 | -177.5 | 0 | 0 | 0 | 111.6 | L856 V880 E882 F929 | L856-L897 HydrophobicContact CD1-CD1 4.01Å; L856-L897 HydrophobicContact CD2-CD1 3.67Å; V880-L897 HydrophobicContact CG1-CB 4.38Å; V880-L897 HydrophobicContact CG1-CD1 4.25Å; V880-L897 PolarHBondContact O-N 2.97Å; E882-L897 HydrophobicContact CB-CD1 4.11Å; E882-L897 HydrophobicContact CB-CD2 4.45Å; E882-L897 HydrophobicContact CB-CG 4.25Å; L897-F929 HydrophobicContact CD1-CZ 4.2Å |
| 898 | C | 91.3 | Very high | 85.3 | Confident | 9 Ų | 9 | 50.7 Ų | 50.7 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 158.3 | 177.6 | 73.3 | 0 | 0 | 0 | 0 | 112.7 | V880 L896 S936 | V880-C898 WeakPolarHBondContact CG2-SG 3.37Å; V880-C898 PolarHBondContact N-O 3.22Å; L896-C898 WeakPolarHBondContact CD1-O 3.4Å; C898-S936 WeakPolarHBondContact CB-O 3.21Å |
| 899 | C | 91.4 | Very high | 87.1 | Confident | 46 Ų | 46 | 45.6 Ų | 45.6 | 31% | 0.311 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 112.6 | 178 | 179 | 0 | 0 | 0 | 0 | 109 | L878 | L878-C899 WeakPolarHBondContact O-CA 3.5Å |
| 900 | N | 92.9 | Very high | 88.8 | Confident | 36 Ų | 36 | 45.3 Ų | 45.3 | 19% | 0.193 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 129.1 | -177.2 | -94.1 | 55.4 | 0 | 0 | 0 | 110.8 | R877 L878 L938 | R877-N900 CarbonylContact C-O 3.48Å; R877-N900 VanDerWaalsContact CA-O 3.23Å; R877-N900 WeakPolarHBondContact CA-O 3.11Å; L878-N900 HydrophobicContact CB-CB 4.47Å; L878-N900 PolarHBondContact N-O 2.99Å; L878-N900 PolarHBondContact O-N 2.66Å; N900-L938 HydrophobicContact CB-CB 4.35Å; N900-L938 HydrophobicContact CB-CD1 4.33Å; N900-L938 WeakPolarHBondContact ND2-CB 3.31Å; N900-L938 PolarHBondContact ND2-O 2.84Å; N900-L938 PolarHBondContact OD1-N 2.76Å |
| 901 | Y | 91.7 | Very high | 90.2 | Very high | 93 Ų | 93 | 41.1 Ų | 41.1 | 37% | 0.365 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 145 | 177.2 | -66.5 | -88.7 | 0 | 0 | 0 | 111.8 | L801 F863 Q875 G876 R877 | L801-Y901 HydrophobicContact CD1-CE1 4.31Å; F863-Y901 HydrophobicContact CZ-CD1 4.26Å; F863-Y901 AromaticContact CZ-CE1 3.95Å; F863-Y901 HydrophobicContact CZ-CE1 3.95Å; Q875-Y901 HydrophobicContact CG-CD1 4.44Å; G876-Y901 WeakPolarHBondContact O-CA 3.27Å; R877-Y901 HydrophobicContact CB-CD1 4.01Å; R877-Y901 HydrophobicContact CB-CE1 4.25Å |
| 902 | V | 92.4 | Very high | 91.4 | Very high | 7 Ų | 7 | 36.6 Ų | 36.6 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 149.8 | 176.4 | -63.8 | 0 | 0 | 0 | 0 | 111 | G876 L878 G904 P906 V920 | G876-V902 PolarHBondContact N-O 3.27Å; G876-V902 PolarHBondContact O-N 3.12Å; L878-V902 HydrophobicContact CD1-CG1 3.99Å; L878-V902 HydrophobicContact CG-CG1 4.22Å; V902-G904 VanDerWaalsContact C-N 3.34Å; V902-G904 PolarHBondContact O-N 2.85Å; V902-P906 HydrophobicContact CG2-CG 3.91Å; V902-V920 HydrophobicContact CB-CG2 4.25Å; V902-V920 HydrophobicContact CG2-CG2 4.25Å |
| 903 | N | 89.4 | Confident | 92 | Very high | 137 Ų | 137 | 40.5 Ų | 40.5 | 73% | 0.733 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -86.7 | 70.4 | -174.3 | -67.7 | -14.1 | 0 | 0 | 0 | 112 | ||
| 904 | G | 89.7 | Confident | 92.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 141 | -178.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V874 G876 V902 | V874-G904 WeakPolarHBondContact O-CA 3.24Å; V874-G904 PolarHBondContact O-N 3.25Å; G876-G904 VanDerWaalsContact CA-O 3.25Å; G876-G904 WeakPolarHBondContact CA-O 3.33Å; G876-G904 PolarHBondContact N-O 2.95Å; G876-G904 VanDerWaalsContact N-O 3.15Å; V902-G904 VanDerWaalsContact C-N 3.34Å; V902-G904 PolarHBondContact O-N 2.85Å |
| 905 | T | 91.5 | Very high | 92.4 | Very high | 25 Ų | 25 | 44.7 Ų | 44.7 | 15% | 0.153 | 23% | 0.23 | C | C | . | . | trans | -73.3 | 126.9 | 177.2 | -53.7 | 0 | 0 | 0 | 0 | 110.7 | C842 A862 V874 E907 | C842-T905 HydrophobicContact CB-CG2 3.86Å; C842-T905 VanDerWaalsContact SG-CG2 3.51Å; A862-T905 HydrophobicContact CB-CG2 3.85Å; V874-T905 WeakPolarHBondContact CG1-OG1 3.41Å; T905-E907 PolarHBondContact O-N 2.86Å; T905-E907 VanDerWaalsContact O-N 3.16Å | ||
| 906 | P | 93.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 97.9 | 165.9 | -1.3 | 17.7 | 0 | 0 | 0 | 108.9 | C842 A843 T861 L878 V902 V918 L919 | C842-P906 VanDerWaalsContact CB-O 3.3Å; C842-P906 WeakPolarHBondContact CB-O 3.17Å; A843-P906 WeakPolarHBondContact CB-O 3.23Å; T861-P906 WeakPolarHBondContact O-CD 3.41Å; L878-P906 HydrophobicContact CD2-CB 3.93Å; L878-P906 HydrophobicContact CD2-CG 4.02Å; V902-P906 HydrophobicContact CG2-CG 3.91Å; P906-V918 HydrophobicContact CB-CG1 4.18Å; P906-L919 CarbonylContact C-O 3.53Å; P906-L919 VanDerWaalsContact CA-O 3.31Å; P906-L919 WeakPolarHBondContact CA-O 3.46Å |
| 907 | E | 91.9 | Very high | 92.9 | Very high | 76 Ų | 76 | 39.1 Ų | 39.1 | 36% | 0.355 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -33.5 | -176.4 | -61.4 | -69 | 166.9 | 0 | 0 | 112.2 | T905 L919 | T905-E907 PolarHBondContact O-N 2.86Å; T905-E907 VanDerWaalsContact O-N 3.16Å; E907-L919 HydrophobicContact CB-CD2 3.55Å; E907-L919 HydrophobicContact CB-CG 4.46Å; E907-L919 HydrophobicContact CG-CD2 3.73Å; E907-L919 PolarHBondContact N-O 2.64Å; E907-L919 VanDerWaalsContact N-O 3.08Å |
| 908 | A | 93.6 | Very high | 93.1 | Very high | 20 Ų | 20 | 37.3 Ų | 37.3 | 17% | 0.165 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 144 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L919 V953 | A908-L919 HydrophobicContact CB-CB 4.09Å; A908-L919 HydrophobicContact CB-CD1 4.28Å; A908-L919 PolarHBondContact O-N 2.91Å; A908-V953 HydrophobicContact CB-CG1 3.83Å |
| 909 | I | 95.4 | Very high | 93.3 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 6% | 0.062 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 130.4 | 178 | -55.8 | 169.7 | 0 | 0 | 0 | 107.6 | A843 T845 V858 L878 L916 L917 V918 | A843-I909 HydrophobicContact CB-CB 4.37Å; A843-I909 HydrophobicContact CB-CD1 3.75Å; A843-I909 HydrophobicContact CB-CG1 3.69Å; T845-I909 WeakPolarHBondContact CB-O 3.4Å; T845-I909 HydrophobicContact CG2-CB 4.08Å; T845-I909 HydrophobicContact CG2-CG2 3.5Å; V858-I909 HydrophobicContact CB-CG2 4.42Å; V858-I909 HydrophobicContact CG1-CD1 4.31Å; V858-I909 HydrophobicContact CG1-CG2 4.27Å; L878-I909 HydrophobicContact CD2-CD1 3.69Å; L878-I909 HydrophobicContact CD2-CG1 4.32Å; I909-L916 HydrophobicContact CG2-CD1 3.41Å; I909-L916 VanDerWaalsContact CG2-CD1 3.41Å; I909-L916 HydrophobicContact CG2-CD2 3.97Å; I909-L916 HydrophobicContact CG2-CG 3.75Å; I909-L917 WeakPolarHBondContact CA-O 3.45Å; I909-V918 HydrophobicContact CG1-CG1 4.39Å; I909-V918 HydrophobicContact CG2-CG2 4.41Å |
| 910 | I | 95.4 | Very high | 93.4 | Very high | 37 Ų | 37 | 35 Ų | 35 | 19% | 0.19 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 141.4 | -179.9 | -165 | 163.1 | 0 | 0 | 0 | 111.3 | L917 V953 V955 | I910-L917 HydrophobicContact CG2-CB 3.62Å; I910-L917 HydrophobicContact CG2-CD1 4.16Å; I910-L917 PolarHBondContact N-O 2.92Å; I910-L917 PolarHBondContact O-N 3.31Å; I910-V953 HydrophobicContact CB-CG1 4.42Å; I910-V953 HydrophobicContact CG2-CG1 3.85Å; I910-V953 HydrophobicContact CG2-CG2 4.36Å; I910-V955 HydrophobicContact CD1-CB 3.93Å; I910-V955 HydrophobicContact CD1-CG2 3.87Å; I910-V955 HydrophobicContact CG1-CG2 4.22Å; I910-V955 HydrophobicContact CG2-CG2 3.85Å |
| 911 | G | 94.5 | Very high | 93.1 | Very high | 25 Ų | 25 | 37.6 Ų | 37.6 | 26% | 0.258 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 135.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 912 | Y | 94.4 | Very high | 93 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 111.9 | 178.2 | 177.8 | -100.6 | 0 | 0 | 0 | 109.5 | R914 K915 L917 L926 V955 D958 I960 H974 | Y912-R914 PolarHBondContact O-N 3.17Å; Y912-K915 PolarHBondContact N-O 2.79Å; Y912-K915 CarbonylContact O-C 3.5Å; Y912-K915 WeakPolarHBondContact O-CA 3.38Å; Y912-K915 VanDerWaalsContact O-CB 3.25Å; Y912-K915 WeakPolarHBondContact O-CB 3.35Å; Y912-K915 PolarHBondContact O-N 3.11Å; Y912-L917 HydrophobicContact CD1-CD1 4.32Å; Y912-L917 HydrophobicContact CD2-CD1 3.99Å; Y912-L917 HydrophobicContact CG-CD1 3.7Å; Y912-L917 HydrophobicContact CG-CG 4.21Å; Y912-L926 HydrophobicContact CD1-CD1 4.02Å; Y912-V955 HydrophobicContact CD2-CG1 3.73Å; Y912-V955 HydrophobicContact CD2-CG2 4.13Å; Y912-V955 HydrophobicContact CE2-CG1 4.36Å; Y912-D958 PolarHBondContact OH-O 2.8Å; Y912-I960 HydrophobicContact CD2-CD1 4.29Å; Y912-I960 HydrophobicContact CD2-CG1 4.07Å; Y912-I960 HydrophobicContact CE1-CD1 4.37Å; Y912-I960 HydrophobicContact CE2-CD1 3.92Å; Y912-I960 HydrophobicContact CE2-CG1 3.72Å; Y912-H974 HydrophobicContact CE1-CB 3.87Å; Y912-H974 PolarHBondContact OH-N 3.12Å; Y912-H974 PolarHBondContact OH-O 3.32Å |
| 913 | H | 91.8 | Very high | 93.1 | Very high | 89 Ų | 89 | 39.2 Ų | 39.2 | 41% | 0.412 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.2 | 52.2 | -178.2 | -59.1 | -88.7 | 0 | 0 | 0 | 114.9 | K915 G957 D958 | H913-K915 PolarHBondContact O-N 3Å; H913-K915 VanDerWaalsContact O-N 3.12Å; H913-G957 PolarHBondContact NE2-O 3.12Å; H913-D958 IonicContact CE1-OD1 2.67Å; H913-D958 PolarHBondContact CE1-OD1 2.69Å; H913-D958 IonicContact NE2-OD1 3.05Å; H913-D958 PolarHBondContact NE2-OD1 3.07Å |
| 914 | R | 91.9 | Very high | 93.4 | Very high | 148 Ų | 148 | 32.7 Ų | 32.7 | 56% | 0.558 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 10.8 | -176.4 | -58.3 | 174.6 | 165 | -131.5 | 1.2 | 115.7 | H848 L849 G850 Y912 | H848-R914 WeakPolarHBondContact O-CA 3.35Å; L849-R914 WeakPolarHBondContact CA-O 3.43Å; G850-R914 PolarHBondContact N-O 3.3Å; G850-R914 WeakPolarHBondContact O-CD 3.24Å; G850-R914 PolarHBondContact O-NH1 3.12Å; Y912-R914 PolarHBondContact O-N 3.17Å |
| 915 | K | 94.4 | Very high | 93.6 | Very high | 20 Ų | 20 | 33.1 Ų | 33.1 | 9% | 0.087 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 176.6 | 169.9 | -58.9 | 172 | -167.2 | 166.6 | 0 | 108.7 | Y912 H913 L926 Y927 L941 D976 | Y912-K915 PolarHBondContact N-O 2.79Å; Y912-K915 CarbonylContact O-C 3.5Å; Y912-K915 WeakPolarHBondContact O-CA 3.38Å; Y912-K915 VanDerWaalsContact O-CB 3.25Å; Y912-K915 WeakPolarHBondContact O-CB 3.35Å; Y912-K915 PolarHBondContact O-N 3.11Å; H913-K915 PolarHBondContact O-N 3Å; H913-K915 VanDerWaalsContact O-N 3.12Å; K915-L926 HydrophobicContact CB-CD1 3.83Å; K915-L926 HydrophobicContact CD-CD1 4.25Å; K915-L926 HydrophobicContact CD-CD2 4.07Å; K915-L926 HydrophobicContact CD-CG 4.31Å; K915-Y927 WeakPolarHBondContact CB-O 3.35Å; K915-L941 HydrophobicContact CD-CD1 4.11Å; K915-D976 IonicContact NZ-OD1 3.82Å; K915-D976 PolarHBondContact NZ-OD1 3.48Å |
| 916 | L | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 119.4 | -177.1 | -166.3 | 76.6 | 0 | 0 | 0 | 109.9 | T845 L849 V858 I909 V918 Y927 L938 | T845-L916 HydrophobicContact CG2-CD1 4.18Å; L849-L916 HydrophobicContact CD2-CB 4.16Å; L849-L916 HydrophobicContact CD2-CD1 4.28Å; V858-L916 HydrophobicContact CB-CD1 4.44Å; V858-L916 HydrophobicContact CG1-CD1 4.49Å; V858-L916 HydrophobicContact CG1-CD2 3.93Å; V858-L916 HydrophobicContact CG2-CD1 4.1Å; I909-L916 HydrophobicContact CG2-CD1 3.41Å; I909-L916 VanDerWaalsContact CG2-CD1 3.41Å; I909-L916 HydrophobicContact CG2-CD2 3.97Å; I909-L916 HydrophobicContact CG2-CG 3.75Å; L916-V918 HydrophobicContact CD2-CG2 3.68Å; L916-V918 HydrophobicContact CG-CG2 3.9Å; L916-Y927 PolarHBondContact N-O 3.31Å; L916-Y927 PolarHBondContact O-N 2.8Å; L916-L938 HydrophobicContact CD2-CD1 4.22Å; L916-L938 HydrophobicContact CD2-CD2 4.47Å |
| 917 | L | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 130.5 | 166.7 | -78.3 | 169.2 | 0 | 0 | 0 | 108.8 | I909 I910 Y912 L924 C925 L926 V955 I960 F981 | I909-L917 WeakPolarHBondContact CA-O 3.45Å; I910-L917 HydrophobicContact CG2-CB 3.62Å; I910-L917 HydrophobicContact CG2-CD1 4.16Å; I910-L917 PolarHBondContact N-O 2.92Å; I910-L917 PolarHBondContact O-N 3.31Å; Y912-L917 HydrophobicContact CD1-CD1 4.32Å; Y912-L917 HydrophobicContact CD2-CD1 3.99Å; Y912-L917 HydrophobicContact CG-CD1 3.7Å; Y912-L917 HydrophobicContact CG-CG 4.21Å; L917-L924 HydrophobicContact CB-CD1 4.49Å; L917-L924 HydrophobicContact CD2-CD1 4.13Å; L917-L924 HydrophobicContact CD2-CD2 4.22Å; L917-L924 HydrophobicContact CD2-CG 4.12Å; L917-C925 WeakPolarHBondContact CA-O 3.24Å; L917-L926 HydrophobicContact CD2-CB 4.11Å; L917-L926 HydrophobicContact CD2-CD1 3.7Å; L917-L926 HydrophobicContact CG-CD1 3.91Å; L917-V955 HydrophobicContact CD1-CG2 3.91Å; L917-I960 HydrophobicContact CD1-CD1 3.68Å; L917-I960 HydrophobicContact CD1-CG1 3.89Å; L917-I960 HydrophobicContact CD1-CG2 4.05Å; L917-I960 HydrophobicContact CD2-CD1 4.35Å; L917-F981 HydrophobicContact CD2-CE1 4Å; L917-F981 HydrophobicContact CD2-CZ 3.82Å |
| 918 | V | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 127.5 | -178.9 | -174.3 | 0 | 0 | 0 | 0 | 108.7 | L878 P906 I909 L916 V920 C925 Y927 | L878-V918 HydrophobicContact CD1-CG1 4.22Å; L878-V918 HydrophobicContact CD1-CG2 3.83Å; L878-V918 HydrophobicContact CD2-CG1 4.02Å; L878-V918 HydrophobicContact CD2-CG2 4.47Å; P906-V918 HydrophobicContact CB-CG1 4.18Å; I909-V918 HydrophobicContact CG1-CG1 4.39Å; I909-V918 HydrophobicContact CG2-CG2 4.41Å; L916-V918 HydrophobicContact CD2-CG2 3.68Å; L916-V918 HydrophobicContact CG-CG2 3.9Å; V918-V920 HydrophobicContact CG1-CG2 3.72Å; V918-C925 PolarHBondContact N-O 3.07Å; V918-C925 PolarHBondContact O-N 2.85Å; V918-Y927 HydrophobicContact CB-CD2 4.09Å; V918-Y927 HydrophobicContact CB-CE2 3.95Å; V918-Y927 HydrophobicContact CG2-CD2 3.64Å; V918-Y927 HydrophobicContact CG2-CE2 3.92Å |
| 919 | L | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 123.1 | 172.2 | -171.1 | 163.8 | 0 | 0 | 0 | 108.8 | P906 E907 A908 L950 | P906-L919 CarbonylContact C-O 3.53Å; P906-L919 VanDerWaalsContact CA-O 3.31Å; P906-L919 WeakPolarHBondContact CA-O 3.46Å; E907-L919 HydrophobicContact CB-CD2 3.55Å; E907-L919 HydrophobicContact CB-CG 4.46Å; E907-L919 HydrophobicContact CG-CD2 3.73Å; E907-L919 PolarHBondContact N-O 2.64Å; E907-L919 VanDerWaalsContact N-O 3.08Å; A908-L919 HydrophobicContact CB-CB 4.09Å; A908-L919 HydrophobicContact CB-CD1 4.28Å; A908-L919 PolarHBondContact O-N 2.91Å; L919-L950 HydrophobicContact CD1-CB 3.76Å; L919-L950 HydrophobicContact CD1-CD2 3.68Å; L919-L950 HydrophobicContact CD1-CG 3.43Å; L919-L950 VanDerWaalsContact CD1-CG 3.43Å; L919-L950 HydrophobicContact CD2-CB 3.99Å; L919-L950 WeakPolarHBondContact CD2-O 3.43Å; L919-L950 HydrophobicContact CG-CB 3.82Å; L919-L950 HydrophobicContact CG-CD2 3.78Å; L919-L950 HydrophobicContact CG-CG 3.87Å |
| 920 | V | 92.9 | Very high | 93.9 | Very high | 7 Ų | 7 | 35.1 Ų | 35.1 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 104.9 | 176.2 | -171.7 | 0 | 0 | 0 | 0 | 109.2 | V902 V918 E922 N923 | V902-V920 HydrophobicContact CB-CG2 4.25Å; V902-V920 HydrophobicContact CG2-CG2 4.25Å; V918-V920 HydrophobicContact CG1-CG2 3.72Å; V920-E922 PolarHBondContact O-N 3.13Å; V920-E922 VanDerWaalsContact O-N 3.14Å; V920-N923 PolarHBondContact N-O 3.39Å; V920-N923 PolarHBondContact O-N 2.98Å |
| 921 | K | 87 | Confident | 93.4 | Very high | 89 Ų | 89 | 37.9 Ų | 37.9 | 39% | 0.387 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | -109.5 | -175.1 | -64.9 | 179.9 | 169.5 | 178.3 | 0 | 113.3 | L950 | K921-L950 PolarHBondContact O-N 3.24Š|
| 922 | E | 90.1 | Very high | 92.8 | Very high | 86 Ų | 86 | 41.8 Ų | 41.8 | 40% | 0.402 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 0.5 | 177 | 60.9 | -101.6 | -152.6 | 0 | 0 | 114.8 | V920 F947 | V920-E922 PolarHBondContact O-N 3.13Å; V920-E922 VanDerWaalsContact O-N 3.14Å; E922-F947 WeakPolarHBondContact CB-O 3.37Å |
| 923 | N | 93.4 | Very high | 91.8 | Very high | 48 Ų | 48 | 51.6 Ų | 51.6 | 26% | 0.257 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 133.8 | -172.2 | -57.8 | -45.9 | 0 | 0 | 0 | 112.1 | V920 T945 | V920-N923 PolarHBondContact N-O 3.39Å; V920-N923 PolarHBondContact O-N 2.98Å; N923-T945 WeakPolarHBondContact OD1-CB 3.32Å; N923-T945 WeakPolarHBondContact OD1-CG2 3.32Å |
| 924 | L | 95.7 | Very high | 91 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 116.6 | 161.6 | -179.2 | 73.3 | 0 | 0 | 0 | 108.6 | L917 S943 Y944 F947 L950 V953 I960 L972 F981 | L917-L924 HydrophobicContact CB-CD1 4.49Å; L917-L924 HydrophobicContact CD2-CD1 4.13Å; L917-L924 HydrophobicContact CD2-CD2 4.22Å; L917-L924 HydrophobicContact CD2-CG 4.12Å; L924-S943 CarbonylContact O-C 3.58Å; L924-S943 VanDerWaalsContact O-CA 3.25Å; L924-S943 WeakPolarHBondContact O-CA 3.27Å; L924-Y944 PolarHBondContact N-O 3.13Å; L924-Y944 PolarHBondContact O-N 2.59Å; L924-F947 HydrophobicContact CB-CE2 4.38Å; L924-L950 HydrophobicContact CB-CD2 4.15Å; L924-L950 HydrophobicContact CD1-CD2 4.46Å; L924-V953 HydrophobicContact CD1-CG2 4.14Å; L924-I960 HydrophobicContact CD2-CG2 4.09Å; L924-L972 HydrophobicContact CD2-CD1 3.98Å; L924-F981 HydrophobicContact CD2-CE1 4.06Å; L924-F981 HydrophobicContact CD2-CZ 4Å; L924-F981 HydrophobicContact CG-CZ 4.31Å |
| 925 | C | 95.5 | Very high | 90.6 | Very high | 9 Ų | 9 | 53.4 Ų | 53.4 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 136.8 | 180 | -65.6 | 0 | 0 | 0 | 0 | 110.9 | L917 V918 Y927 Q940 A942 | L917-C925 WeakPolarHBondContact CA-O 3.24Å; V918-C925 PolarHBondContact N-O 3.07Å; V918-C925 PolarHBondContact O-N 2.85Å; C925-Y927 HydrophobicContact CB-CD2 4.16Å; C925-Y927 HydrophobicContact CB-CE2 3.47Å; C925-Y927 VanDerWaalsContact CB-CE2 3.47Å; C925-Q940 HydrophobicContact CB-CG 4.47Å; C925-A942 WeakPolarHBondContact CA-O 3.32Å |
| 926 | L | 96 | Very high | 90.3 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 125.9 | 170.4 | -176.5 | 68.3 | 0 | 0 | 0 | 109.5 | Y912 K915 L917 Q940 L941 A942 H974 F981 | Y912-L926 HydrophobicContact CD1-CD1 4.02Å; K915-L926 HydrophobicContact CB-CD1 3.83Å; K915-L926 HydrophobicContact CD-CD1 4.25Å; K915-L926 HydrophobicContact CD-CD2 4.07Å; K915-L926 HydrophobicContact CD-CG 4.31Å; L917-L926 HydrophobicContact CD2-CB 4.11Å; L917-L926 HydrophobicContact CD2-CD1 3.7Å; L917-L926 HydrophobicContact CG-CD1 3.91Å; L926-Q940 CarbonylContact O-C 3.49Å; L926-L941 HydrophobicContact CD2-CB 4.46Å; L926-L941 HydrophobicContact CD2-CD1 4.42Å; L926-L941 PolarHBondContact O-N 2.89Å; L926-A942 HydrophobicContact CB-CB 4.19Å; L926-A942 PolarHBondContact N-O 2.84Å; L926-H974 WeakPolarHBondContact CD2-CE1 3.4Å; L926-H974 WeakPolarHBondContact CD2-ND1 3.16Å; L926-F981 HydrophobicContact CB-CZ 3.89Å |
| 927 | Y | 95.4 | Very high | 90.2 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 6% | 0.063 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 137.6 | 176.9 | -68.7 | -92.2 | 0 | 0 | 0 | 111.3 | L878 K915 L916 V918 C925 L938 I939 Q940 | L878-Y927 HydrophobicContact CD1-CE2 4.44Å; K915-Y927 WeakPolarHBondContact CB-O 3.35Å; L916-Y927 PolarHBondContact N-O 3.31Å; L916-Y927 PolarHBondContact O-N 2.8Å; V918-Y927 HydrophobicContact CB-CD2 4.09Å; V918-Y927 HydrophobicContact CB-CE2 3.95Å; V918-Y927 HydrophobicContact CG2-CD2 3.64Å; V918-Y927 HydrophobicContact CG2-CE2 3.92Å; C925-Y927 HydrophobicContact CB-CD2 4.16Å; C925-Y927 HydrophobicContact CB-CE2 3.47Å; C925-Y927 VanDerWaalsContact CB-CE2 3.47Å; Y927-L938 HydrophobicContact CD1-CB 4.08Å; Y927-I939 CarbonylContact C-O 3.56Å; Y927-I939 VanDerWaalsContact CA-O 3.28Å; Y927-I939 WeakPolarHBondContact CA-O 3.46Å; Y927-Q940 HydrophobicContact CD1-CB 3.95Å; Y927-Q940 HydrophobicContact CE1-CB 3.59Å; Y927-Q940 HydrophobicContact CE1-CG 4.14Å; Y927-Q940 PolarHBondContact OH-OE1 3.14Å |
| 928 | E | 94.3 | Very high | 90 | Very high | 59 Ų | 59 | 58 Ų | 58 | 28% | 0.276 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 134.5 | 168.2 | -179.1 | 173.2 | -126.7 | 0 | 0 | 109.7 | K930 L938 I939 L941 | E928-K930 HydrophobicContact CG-CG 4.31Å; E928-K930 WeakPolarHBondContact OE2-CE 3.34Å; E928-K930 IonicContact OE2-NZ 2.61Å; E928-L938 WeakPolarHBondContact O-CA 3.26Å; E928-I939 PolarHBondContact N-O 3.2Å; E928-I939 PolarHBondContact O-N 2.8Å; E928-L941 HydrophobicContact CB-CD1 3.7Å; E928-L941 HydrophobicContact CB-CD2 4.22Å; E928-L941 HydrophobicContact CB-CG 3.85Å |
| 929 | F | 94.1 | Very high | 89.9 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 4% | 0.039 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 117.1 | 173.7 | -179.4 | -103.9 | 0 | 0 | 0 | 109.3 | L849 K852 V880 L897 E931 L938 | L849-F929 HydrophobicContact CB-CB 3.79Å; L849-F929 HydrophobicContact CB-CD1 4.06Å; L849-F929 HydrophobicContact CB-CG 4Å; L849-F929 HydrophobicContact CD1-CB 4.4Å; K852-F929 HydrophobicContact CG-CE1 4.41Å; V880-F929 HydrophobicContact CG1-CE2 4.18Å; L897-F929 HydrophobicContact CD1-CZ 4.2Å; F929-E931 HydrophobicContact CE1-CB 4.09Å; F929-L938 HydrophobicContact CB-CD2 3.93Å; F929-L938 HydrophobicContact CD2-CD2 3.94Å; F929-L938 HydrophobicContact CD2-CG 4.43Å; F929-L938 HydrophobicContact CG-CD2 4.45Å |
| 930 | K | 90.8 | Very high | 89.8 | Confident | 92 Ų | 92 | 65 Ų | 65 | 40% | 0.4 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 136.3 | 172.9 | -65.6 | -162 | -171.6 | 167.5 | 0 | 110 | E928 S936 E937 I939 | E928-K930 HydrophobicContact CG-CG 4.31Å; E928-K930 WeakPolarHBondContact OE2-CE 3.34Å; E928-K930 IonicContact OE2-NZ 2.61Å; K930-S936 WeakPolarHBondContact O-CA 3.28Å; K930-E937 PolarHBondContact N-O 2.7Å; K930-E937 PolarHBondContact O-N 2.82Å; K930-I939 HydrophobicContact CB-CD1 4.43Å; K930-I939 HydrophobicContact CD-CD1 3.56Å; K930-I939 HydrophobicContact CG-CD1 4.04Å |
| 931 | E | 85.4 | Confident | 89.8 | Confident | 95 Ų | 95 | 67.5 Ų | 67.5 | 44% | 0.444 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 109.5 | 178.4 | -174.9 | 173.5 | -156.1 | 0 | 0 | 107 | K852 F929 | K852-E931 WeakPolarHBondContact CE-OE1 3.11Å; K852-E931 VanDerWaalsContact CE-OE2 3.27Å; K852-E931 WeakPolarHBondContact CE-OE2 3.44Å; K852-E931 IonicContact NZ-OE1 3.12Å; F929-E931 HydrophobicContact CE1-CB 4.09Å |
| 932 | D | 82 | Confident | 90.1 | Very high | 106 Ų | 106 | 63.5 Ų | 63.5 | 57% | 0.567 | 31% | 0.312 | S | S | * | . | trans | -91.7 | 169.3 | 166.1 | -72.9 | -28 | 0 | 0 | 0 | 109.3 | E934 T935 | D932-E934 PolarHBondContact O-N 2.88Å; D932-E934 VanDerWaalsContact O-N 3.09Å; D932-T935 PolarHBondContact N-O 2.84Å; D932-T935 PolarHBondContact O-N 2.88Å | ||
| 933 | E | 74.4 | Confident | 90.3 | Very high | 211 Ų | 211 | 62.1 Ų | 62.1 | 99% | 0.986 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -57.4 | -28.1 | -176.2 | -67.9 | -167 | 165.7 | 0 | 0 | 114.1 | ||
| 934 | E | 74.2 | Confident | 90.3 | Very high | 190 Ų | 190 | 61.9 Ų | 61.9 | 89% | 0.888 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -111.5 | -23.6 | -177.1 | -65.8 | -170.6 | 164.4 | 0 | 0 | 114.1 | D932 | D932-E934 PolarHBondContact O-N 2.88Å; D932-E934 VanDerWaalsContact O-N 3.09Å |
| 935 | T | 83.1 | Confident | 89.9 | Confident | 84 Ų | 84 | 66.2 Ų | 66.2 | 52% | 0.515 | 34% | 0.335 | S | S | . | . | trans | -142.6 | 139 | -171.2 | 53.1 | 0 | 0 | 0 | 0 | 112.3 | D932 | D932-T935 PolarHBondContact N-O 2.84Å; D932-T935 PolarHBondContact O-N 2.88Å | ||
| 936 | S | 89.2 | Confident | 89.4 | Confident | 21 Ų | 21 | 68.5 Ų | 68.5 | 15% | 0.147 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 138.3 | 165.2 | -62.2 | 0 | 0 | 0 | 0 | 109.8 | C898 K930 | C898-S936 WeakPolarHBondContact CB-O 3.21Å; K930-S936 WeakPolarHBondContact O-CA 3.28Å |
| 937 | E | 92.1 | Very high | 89.2 | Confident | 90 Ų | 90 | 69.3 Ų | 69.3 | 42% | 0.421 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 154.6 | 175.5 | 63.5 | 172.9 | -165.3 | 0 | 0 | 112.2 | K930 I939 | K930-E937 PolarHBondContact N-O 2.7Å; K930-E937 PolarHBondContact O-N 2.82Å; E937-I939 HydrophobicContact CG-CD1 4.47Å; E937-I939 HydrophobicContact CG-CG1 4.12Å; E937-I939 WeakPolarHBondContact OE1-CD1 3.13Å |
| 938 | L | 93.8 | Very high | 88.8 | Confident | 7 Ų | 7 | 72.1 Ų | 72.1 | 4% | 0.037 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125.2 | 169 | -69.7 | 166.3 | 0 | 0 | 0 | 109.4 | L878 V880 N900 L916 Y927 E928 F929 | L878-L938 HydrophobicContact CB-CD1 4.26Å; L878-L938 HydrophobicContact CD1-CD1 4.28Å; V880-L938 HydrophobicContact CG2-CD1 3.77Å; V880-L938 HydrophobicContact CG2-CG 4.29Å; N900-L938 HydrophobicContact CB-CB 4.35Å; N900-L938 HydrophobicContact CB-CD1 4.33Å; N900-L938 WeakPolarHBondContact ND2-CB 3.31Å; N900-L938 PolarHBondContact ND2-O 2.84Å; N900-L938 PolarHBondContact OD1-N 2.76Å; L916-L938 HydrophobicContact CD2-CD1 4.22Å; L916-L938 HydrophobicContact CD2-CD2 4.47Å; Y927-L938 HydrophobicContact CD1-CB 4.08Å; E928-L938 WeakPolarHBondContact O-CA 3.26Å; F929-L938 HydrophobicContact CB-CD2 3.93Å; F929-L938 HydrophobicContact CD2-CD2 3.94Å; F929-L938 HydrophobicContact CD2-CG 4.43Å; F929-L938 HydrophobicContact CG-CD2 4.45Å |
| 939 | I | 93.4 | Very high | 88.5 | Confident | 51 Ų | 51 | 71.1 Ų | 71.1 | 26% | 0.262 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 126.4 | 178.8 | -54.5 | -179.9 | 0 | 0 | 0 | 109 | Y927 E928 K930 E937 L941 | Y927-I939 CarbonylContact C-O 3.56Å; Y927-I939 VanDerWaalsContact CA-O 3.28Å; Y927-I939 WeakPolarHBondContact CA-O 3.46Å; E928-I939 PolarHBondContact N-O 3.2Å; E928-I939 PolarHBondContact O-N 2.8Å; K930-I939 HydrophobicContact CB-CD1 4.43Å; K930-I939 HydrophobicContact CD-CD1 3.56Å; K930-I939 HydrophobicContact CG-CD1 4.04Å; E937-I939 HydrophobicContact CG-CD1 4.47Å; E937-I939 HydrophobicContact CG-CG1 4.12Å; E937-I939 WeakPolarHBondContact OE1-CD1 3.13Å; I939-L941 PolarHBondContact O-N 2.9Å |
| 940 | Q | 93.3 | Very high | 88.3 | Confident | 95 Ų | 95 | 70.8 Ų | 70.8 | 44% | 0.444 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 121.9 | 175.6 | -169.7 | 179 | -45.5 | 0 | 0 | 110.4 | C925 L926 Y927 | C925-Q940 HydrophobicContact CB-CG 4.47Å; L926-Q940 CarbonylContact O-C 3.49Å; Y927-Q940 HydrophobicContact CD1-CB 3.95Å; Y927-Q940 HydrophobicContact CE1-CB 3.59Å; Y927-Q940 HydrophobicContact CE1-CG 4.14Å; Y927-Q940 PolarHBondContact OH-OE1 3.14Å |
| 941 | L | 93 | Very high | 88.3 | Confident | 60 Ų | 60 | 68.8 Ų | 68.8 | 31% | 0.314 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -42.1 | 179.6 | -67 | -175.1 | 0 | 0 | 0 | 113.3 | K915 L926 E928 I939 | K915-L941 HydrophobicContact CD-CD1 4.11Å; L926-L941 HydrophobicContact CD2-CB 4.46Å; L926-L941 HydrophobicContact CD2-CD1 4.42Å; L926-L941 PolarHBondContact O-N 2.89Å; E928-L941 HydrophobicContact CB-CD1 3.7Å; E928-L941 HydrophobicContact CB-CD2 4.22Å; E928-L941 HydrophobicContact CB-CG 3.85Å; I939-L941 PolarHBondContact O-N 2.9Å |
| 942 | A | 93.5 | Very high | 88.7 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 3% | 0.033 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 154.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | C925 L926 S979 F981 | C925-A942 WeakPolarHBondContact CA-O 3.32Å; L926-A942 HydrophobicContact CB-CB 4.19Å; L926-A942 PolarHBondContact N-O 2.84Å; A942-S979 WeakPolarHBondContact CA-O 3.25Å; A942-S979 WeakPolarHBondContact CB-O 3.46Å; A942-F981 HydrophobicContact CB-CD2 4.13Å; A942-F981 HydrophobicContact CB-CE2 3.72Å; A942-F981 HydrophobicContact CB-CZ 4.34Å |
| 943 | S | 93.2 | Very high | 89.3 | Confident | 58 Ų | 58 | 62.2 Ų | 62.2 | 41% | 0.406 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 144.4 | 172.9 | 57.8 | 0 | 0 | 0 | 0 | 111.4 | L924 | L924-S943 CarbonylContact O-C 3.58Å; L924-S943 VanDerWaalsContact O-CA 3.25Å; L924-S943 WeakPolarHBondContact O-CA 3.27Å |
| 944 | Y | 93 | Very high | 90.3 | Very high | 42 Ų | 42 | 55 Ų | 55 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 128.3 | 175.1 | -167.6 | -96 | 0 | 0 | 0 | 110.7 | L924 S946 F947 L972 F981 | L924-Y944 PolarHBondContact N-O 3.13Å; L924-Y944 PolarHBondContact O-N 2.59Å; Y944-S946 VanDerWaalsContact CE1-CB 3.44Å; Y944-F947 HydrophobicContact CD1-CD2 4.37Å; Y944-F947 AromaticContact CD1-CE2 3.57Å; Y944-F947 HydrophobicContact CD1-CE2 3.57Å; Y944-F947 AromaticContact CD1-CZ 3.8Å; Y944-F947 HydrophobicContact CD1-CZ 3.8Å; Y944-F947 HydrophobicContact CE1-CE2 4.12Å; Y944-F947 AromaticContact CE1-CZ 3.91Å; Y944-F947 HydrophobicContact CE1-CZ 3.91Å; Y944-L972 HydrophobicContact CD1-CD1 3.74Å; Y944-L972 HydrophobicContact CD2-CD1 4.4Å; Y944-L972 HydrophobicContact CE1-CD1 4.06Å; Y944-L972 HydrophobicContact CE1-CD2 4.07Å; Y944-L972 HydrophobicContact CE2-CD2 4.16Å; Y944-L972 HydrophobicContact CG-CD1 3.91Å; Y944-F981 HydrophobicContact CD2-CB 3.98Å; Y944-F981 HydrophobicContact CG-CB 4.47Å |
| 945 | T | 88.6 | Confident | 91.3 | Very high | 92 Ų | 92 | 48 Ų | 48 | 56% | 0.564 | 27% | 0.266 | S | S | * | . | trans | -127.1 | 31.3 | -163.6 | 68.6 | 0 | 0 | 0 | 0 | 114.1 | N923 F947 | N923-T945 WeakPolarHBondContact OD1-CB 3.32Å; N923-T945 WeakPolarHBondContact OD1-CG2 3.32Å; T945-F947 VanDerWaalsContact C-N 3.35Å | ||
| 946 | S | 85.3 | Confident | 91.8 | Very high | 57 Ų | 57 | 46.7 Ų | 46.7 | 40% | 0.399 | 25% | 0.252 | S | S | . | . | trans | -90.2 | 11.2 | -177.8 | -176.3 | 0 | 0 | 0 | 0 | 114.4 | Y944 K986 | Y944-S946 VanDerWaalsContact CE1-CB 3.44Å; S946-K986 PolarHBondContact OG-NZ 3.41Å | ||
| 947 | F | 90.1 | Very high | 91.9 | Very high | 16 Ų | 16 | 48.2 Ų | 48.2 | 7% | 0.07 | 27% | 0.271 | C | S | . | . | trans | -102.4 | 155.7 | -172.1 | -55.5 | -62.9 | 0 | 0 | 0 | 111.6 | E922 L924 Y944 T945 L950 C962 D964 T970 L972 | E922-F947 WeakPolarHBondContact CB-O 3.37Å; L924-F947 HydrophobicContact CB-CE2 4.38Å; Y944-F947 HydrophobicContact CD1-CD2 4.37Å; Y944-F947 AromaticContact CD1-CE2 3.57Å; Y944-F947 HydrophobicContact CD1-CE2 3.57Å; Y944-F947 AromaticContact CD1-CZ 3.8Å; Y944-F947 HydrophobicContact CD1-CZ 3.8Å; Y944-F947 HydrophobicContact CE1-CE2 4.12Å; Y944-F947 AromaticContact CE1-CZ 3.91Å; Y944-F947 HydrophobicContact CE1-CZ 3.91Å; T945-F947 VanDerWaalsContact C-N 3.35Å; F947-L950 HydrophobicContact CB-CB 4.25Å; F947-L950 HydrophobicContact CB-CD1 4.45Å; F947-L950 HydrophobicContact CD1-CD1 3.72Å; F947-L950 HydrophobicContact CD2-CB 4.26Å; F947-L950 HydrophobicContact CD2-CD1 3.91Å; F947-L950 HydrophobicContact CD2-CD2 3.85Å; F947-L950 HydrophobicContact CD2-CG 4.23Å; F947-L950 HydrophobicContact CE1-CD1 3.86Å; F947-L950 HydrophobicContact CE2-CD1 4.01Å; F947-L950 HydrophobicContact CE2-CD2 3.77Å; F947-L950 HydrophobicContact CE2-CG 4.46Å; F947-L950 HydrophobicContact CG-CB 4.27Å; F947-L950 HydrophobicContact CG-CD1 3.76Å; F947-L950 HydrophobicContact CG-CD2 4.49Å; F947-L950 HydrophobicContact CG-CG 4.39Å; F947-L950 HydrophobicContact CZ-CD1 4Å; F947-L950 HydrophobicContact CZ-CD2 4.39Å; F947-C962 HydrophobicContact CE1-CB 3.79Å; F947-C962 HydrophobicContact CE2-CB 4.26Å; F947-C962 HydrophobicContact CZ-CB 3.44Å; F947-C962 VanDerWaalsContact CZ-CB 3.44Å; F947-D964 WeakPolarHBondContact CA-OD2 3.47Å; F947-D964 VanDerWaalsContact CB-OD2 3.29Å; F947-D964 WeakPolarHBondContact CB-OD2 3.27Å; F947-D964 HydrophobicContact CD1-CB 4.27Å; F947-T970 HydrophobicContact CE1-CG2 4.45Å; F947-L972 HydrophobicContact CZ-CD1 4.44Å | ||
| 948 | V | 86.9 | Confident | 91.9 | Very high | 76 Ų | 76 | 48.9 Ų | 48.9 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -84.2 | -48.9 | 168.6 | 170.7 | 0 | 0 | 0 | 0 | 109.5 | D964 H967 | V948-D964 PolarHBondContact N-OD2 3.43Å; V948-H967 WeakPolarHBondContact CG2-CE1 3.44Å; V948-H967 WeakPolarHBondContact CG2-ND1 3.47Å |
| 949 | S | 88.2 | Confident | 92.1 | Very high | 38 Ų | 38 | 50.1 Ų | 50.1 | 27% | 0.266 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -158.6 | 110 | 175.1 | 176.7 | 0 | 0 | 0 | 0 | 106.4 | D964 L965 | S949-D964 PolarHBondContact N-OD2 3.33Å; S949-D964 CarbonylContact O-C 3.53Å; S949-D964 WeakPolarHBondContact O-CA 3.46Å; S949-L965 PolarHBondContact O-N 2.99Å |
| 950 | L | 90.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 130.8 | 179.7 | -161.1 | 65.5 | 0 | 0 | 0 | 107.7 | L919 K921 L924 F947 C962 G963 | L919-L950 HydrophobicContact CD1-CB 3.76Å; L919-L950 HydrophobicContact CD1-CD2 3.68Å; L919-L950 HydrophobicContact CD1-CG 3.43Å; L919-L950 VanDerWaalsContact CD1-CG 3.43Å; L919-L950 HydrophobicContact CD2-CB 3.99Å; L919-L950 WeakPolarHBondContact CD2-O 3.43Å; L919-L950 HydrophobicContact CG-CB 3.82Å; L919-L950 HydrophobicContact CG-CD2 3.78Å; L919-L950 HydrophobicContact CG-CG 3.87Å; K921-L950 PolarHBondContact O-N 3.24Å; L924-L950 HydrophobicContact CB-CD2 4.15Å; L924-L950 HydrophobicContact CD1-CD2 4.46Å; F947-L950 HydrophobicContact CB-CB 4.25Å; F947-L950 HydrophobicContact CB-CD1 4.45Å; F947-L950 HydrophobicContact CD1-CD1 3.72Å; F947-L950 HydrophobicContact CD2-CB 4.26Å; F947-L950 HydrophobicContact CD2-CD1 3.91Å; F947-L950 HydrophobicContact CD2-CD2 3.85Å; F947-L950 HydrophobicContact CD2-CG 4.23Å; F947-L950 HydrophobicContact CE1-CD1 3.86Å; F947-L950 HydrophobicContact CE2-CD1 4.01Å; F947-L950 HydrophobicContact CE2-CD2 3.77Å; F947-L950 HydrophobicContact CE2-CG 4.46Å; F947-L950 HydrophobicContact CG-CB 4.27Å; F947-L950 HydrophobicContact CG-CD1 3.76Å; F947-L950 HydrophobicContact CG-CD2 4.49Å; F947-L950 HydrophobicContact CG-CG 4.39Å; F947-L950 HydrophobicContact CZ-CD1 4Å; F947-L950 HydrophobicContact CZ-CD2 4.39Å; L950-C962 HydrophobicContact CD1-CB 3.65Å; L950-C962 HydrophobicContact CD2-CB 4.27Å; L950-G963 WeakPolarHBondContact CD1-O 3.23Å |
| 951 | L | 90.7 | Very high | 92.4 | Very high | 51 Ų | 51 | 43.1 Ų | 43.1 | 27% | 0.267 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | -34.6 | -179 | -63 | -179.8 | 0 | 0 | 0 | 112 | G963 L965 | L951-G963 PolarHBondContact N-O 3.04Å; L951-L965 HydrophobicContact CD1-CB 3.96Å; L951-L965 HydrophobicContact CD1-CD1 3.75Å; L951-L965 HydrophobicContact CD1-CG 4.46Å; L951-L965 HydrophobicContact CG-CB 4.19Å |
| 952 | F | 94 | Very high | 92.5 | Very high | 50 Ų | 50 | 40.3 Ų | 40.3 | 22% | 0.219 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 141.2 | -169.8 | -47.3 | -70.8 | 0 | 0 | 0 | 111.4 | G963 L993 T994 I996 | F952-G963 PolarHBondContact N-O 3.18Å; F952-G963 PolarHBondContact O-N 3.11Å; F952-L993 HydrophobicContact CD2-CB 4.35Å; F952-L993 HydrophobicContact CE2-CB 4.03Å; F952-L993 WeakPolarHBondContact CE2-O 3.41Å; F952-T994 WeakPolarHBondContact CE1-O 3.26Å; F952-T994 WeakPolarHBondContact CZ-O 3.26Å; F952-I996 HydrophobicContact CB-CD1 3.46Å; F952-I996 VanDerWaalsContact CB-CD1 3.46Å; F952-I996 HydrophobicContact CB-CG1 3.59Å; F952-I996 HydrophobicContact CD2-CG2 4.45Å; F952-I996 HydrophobicContact CG-CG1 4.26Å |
| 953 | V | 95.2 | Very high | 92.6 | Very high | 12 Ų | 12 | 40.1 Ų | 40.1 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 133 | 168.3 | 69.6 | 0 | 0 | 0 | 0 | 109.7 | A908 I910 L924 I960 M961 | A908-V953 HydrophobicContact CB-CG1 3.83Å; I910-V953 HydrophobicContact CB-CG1 4.42Å; I910-V953 HydrophobicContact CG2-CG1 3.85Å; I910-V953 HydrophobicContact CG2-CG2 4.36Å; L924-V953 HydrophobicContact CD1-CG2 4.14Å; V953-I960 HydrophobicContact CG2-CG2 3.76Å; V953-M961 CarbonylContact C-O 3.57Å; V953-M961 VanDerWaalsContact CA-O 3.29Å; V953-M961 WeakPolarHBondContact CA-O 3.48Å |
| 954 | K | 95.4 | Very high | 92.7 | Very high | 61 Ų | 61 | 37.4 Ų | 37.4 | 27% | 0.265 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 146.6 | 172.1 | -70.2 | -68.2 | -169.2 | 176.3 | 0 | 109.1 | M961 I996 F998 E1047 | K954-M961 HydrophobicContact CB-CB 4.48Å; K954-M961 PolarHBondContact N-O 3.12Å; K954-M961 PolarHBondContact O-N 2.83Å; K954-I996 HydrophobicContact CG-CD1 4.18Å; K954-I996 HydrophobicContact CG-CG1 4.07Å; K954-F998 HydrophobicContact CB-CD2 4.18Å; K954-F998 HydrophobicContact CB-CE2 4.14Å; K954-E1047 IonicContact NZ-OE1 2.65Å; K954-E1047 PolarHBondContact NZ-OE1 3.21Å; K954-E1047 IonicContact NZ-OE2 3.58Å |
| 955 | V | 95.1 | Very high | 92.5 | Very high | 42 Ų | 42 | 38.2 Ų | 38.2 | 26% | 0.255 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 139.2 | -178.3 | 169.4 | 0 | 0 | 0 | 0 | 109.6 | I910 Y912 L917 L959 I960 | I910-V955 HydrophobicContact CD1-CB 3.93Å; I910-V955 HydrophobicContact CD1-CG2 3.87Å; I910-V955 HydrophobicContact CG1-CG2 4.22Å; I910-V955 HydrophobicContact CG2-CG2 3.85Å; Y912-V955 HydrophobicContact CD2-CG1 3.73Å; Y912-V955 HydrophobicContact CD2-CG2 4.13Å; Y912-V955 HydrophobicContact CE2-CG1 4.36Å; L917-V955 HydrophobicContact CD1-CG2 3.91Å; V955-L959 WeakPolarHBondContact CA-O 3.45Å; V955-I960 HydrophobicContact CG2-CG1 4.47Å |
| 956 | R | 92.9 | Very high | 92.4 | Very high | 57 Ų | 57 | 37.4 Ų | 37.4 | 22% | 0.215 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 105 | 173 | -179.9 | 175.2 | 169.8 | 148.3 | -4.7 | 110.3 | D958 L959 F998 V999 N1000 D1001 R1048 | R956-D958 PolarHBondContact O-N 3.15Å; R956-L959 PolarHBondContact N-O 2.82Å; R956-L959 PolarHBondContact O-N 2.9Å; R956-L959 VanDerWaalsContact O-N 3.11Å; R956-F998 HydrophobicContact CB-CD1 4.49Å; R956-F998 HydrophobicContact CB-CD2 3.79Å; R956-F998 HydrophobicContact CB-CE2 3.88Å; R956-F998 HydrophobicContact CB-CG 4.09Å; R956-F998 HydrophobicContact CB-CZ 4.25Å; R956-V999 PolarHBondContact NH1-O 3.4Å; R956-N1000 VanDerWaalsContact CZ-CA 3.5Å; R956-N1000 VanDerWaalsContact NH1-CA 3.3Å; R956-D1001 IonicContact CZ-OD1 3.54Å; R956-D1001 IonicContact NE-OD1 3.49Å; R956-D1001 PolarHBondContact NE-OD1 2.86Å; R956-D1001 IonicContact NH2-OD1 3.47Å; R956-D1001 PolarHBondContact NH2-OD1 2.83Å; R956-R1048 VanDerWaalsContact NH1-CZ 3.31Å; R956-R1048 VanDerWaalsContact NH1-NH1 3.14Å |
| 957 | G | 91.5 | Very high | 92.6 | Very high | 53 Ų | 53 | 38.4 Ų | 38.4 | 55% | 0.546 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | -127.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | H913 L959 | H913-G957 PolarHBondContact NE2-O 3.12Å; G957-L959 VanDerWaalsContact C-N 3.31Å |
| 958 | D | 93 | Very high | 92.8 | Very high | 103 Ų | 103 | 37.7 Ų | 37.7 | 55% | 0.551 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -4 | -179.4 | -47.2 | -24.9 | 0 | 0 | 0 | 113.2 | Y912 H913 R956 S973 | Y912-D958 PolarHBondContact OH-O 2.8Å; H913-D958 IonicContact CE1-OD1 2.67Å; H913-D958 PolarHBondContact CE1-OD1 2.69Å; H913-D958 IonicContact NE2-OD1 3.05Å; H913-D958 PolarHBondContact NE2-OD1 3.07Å; R956-D958 PolarHBondContact O-N 3.15Å; D958-S973 WeakPolarHBondContact O-CA 3.25Å; D958-S973 WeakPolarHBondContact O-CB 3.43Å |
| 959 | L | 96.5 | Very high | 93.2 | Very high | 33 Ų | 33 | 34 Ų | 34 | 17% | 0.173 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 132.9 | -177.9 | -61.4 | 175.5 | 0 | 0 | 0 | 111 | V955 R956 G957 I971 I984 F998 D1001 | V955-L959 WeakPolarHBondContact CA-O 3.45Å; R956-L959 PolarHBondContact N-O 2.82Å; R956-L959 PolarHBondContact O-N 2.9Å; R956-L959 VanDerWaalsContact O-N 3.11Å; G957-L959 VanDerWaalsContact C-N 3.31Å; L959-I971 HydrophobicContact CB-CG2 4.44Å; L959-I971 HydrophobicContact CD2-CG2 4.16Å; L959-I984 HydrophobicContact CD2-CG1 4.29Å; L959-I984 HydrophobicContact CD2-CG2 4.4Å; L959-F998 HydrophobicContact CB-CE1 4.24Å; L959-F998 HydrophobicContact CB-CZ 4.03Å; L959-D1001 HydrophobicContact CD1-CB 3.99Å |
| 960 | I | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 119.7 | 177.9 | -53.9 | 164.3 | 0 | 0 | 0 | 107.7 | Y912 L917 L924 V953 V955 I971 L972 H974 F981 | Y912-I960 HydrophobicContact CD2-CD1 4.29Å; Y912-I960 HydrophobicContact CD2-CG1 4.07Å; Y912-I960 HydrophobicContact CE1-CD1 4.37Å; Y912-I960 HydrophobicContact CE2-CD1 3.92Å; Y912-I960 HydrophobicContact CE2-CG1 3.72Å; L917-I960 HydrophobicContact CD1-CD1 3.68Å; L917-I960 HydrophobicContact CD1-CG1 3.89Å; L917-I960 HydrophobicContact CD1-CG2 4.05Å; L917-I960 HydrophobicContact CD2-CD1 4.35Å; L924-I960 HydrophobicContact CD2-CG2 4.09Å; V953-I960 HydrophobicContact CG2-CG2 3.76Å; V955-I960 HydrophobicContact CG2-CG1 4.47Å; I960-I971 CarbonylContact O-C 3.48Å; I960-I971 WeakPolarHBondContact O-CA 3.39Å; I960-L972 HydrophobicContact CB-CB 4.33Å; I960-L972 PolarHBondContact N-O 3.06Å; I960-L972 PolarHBondContact O-N 2.97Å; I960-H974 HydrophobicContact CD1-CB 4.47Å; I960-F981 HydrophobicContact CD1-CD1 4.09Å; I960-F981 HydrophobicContact CD1-CE1 3.71Å |
| 961 | M | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 120.4 | 175.9 | 179.8 | -177.9 | -170.9 | 0 | 0 | 109.6 | V953 K954 I969 I971 I996 F998 Y1004 L1006 | V953-M961 CarbonylContact C-O 3.57Å; V953-M961 VanDerWaalsContact CA-O 3.29Å; V953-M961 WeakPolarHBondContact CA-O 3.48Å; K954-M961 HydrophobicContact CB-CB 4.48Å; K954-M961 PolarHBondContact N-O 3.12Å; K954-M961 PolarHBondContact O-N 2.83Å; M961-I969 HydrophobicContact CE-CB 4.21Å; M961-I969 HydrophobicContact CE-CD1 3.7Å; M961-I969 HydrophobicContact CE-CG2 3.71Å; M961-I971 HydrophobicContact CB-CD1 3.71Å; M961-I971 HydrophobicContact CG-CD1 3.61Å; M961-I971 HydrophobicContact SD-CD1 4.48Å; M961-I996 HydrophobicContact CE-CB 3.74Å; M961-I996 HydrophobicContact CE-CD1 4.44Å; M961-I996 HydrophobicContact CE-CG2 4.18Å; M961-I996 HydrophobicContact CG-CD1 3.9Å; M961-I996 HydrophobicContact SD-CB 4.21Å; M961-I996 HydrophobicContact SD-CD1 4.16Å; M961-F998 HydrophobicContact CB-CD2 4.26Å; M961-F998 HydrophobicContact CB-CE1 4.11Å; M961-F998 HydrophobicContact CB-CE2 3.41Å; M961-F998 VanDerWaalsContact CB-CE2 3.41Å; M961-F998 HydrophobicContact CB-CZ 3.34Å; M961-F998 HydrophobicContact CG-CE2 4.46Å; M961-F998 HydrophobicContact CG-CZ 4.4Å; M961-F998 HydrophobicContact SD-CD1 4.5Å; M961-F998 HydrophobicContact SD-CD2 4.21Å; M961-F998 HydrophobicContact SD-CE2 4.24Å; M961-F998 HydrophobicContact SD-CG 4.36Å; M961-F998 HydrophobicContact SD-CZ 4.43Å; M961-Y1004 HydrophobicContact CE-CD1 4.26Å; M961-Y1004 HydrophobicContact CE-CG 4.32Å; M961-Y1004 HydrophobicContact SD-CD1 4.3Å; M961-L1006 HydrophobicContact CE-CD2 3.5Å |
| 962 | C | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.1 | -180 | -66 | 0 | 0 | 0 | 0 | 109.1 | F947 L950 I969 T970 | F947-C962 HydrophobicContact CE1-CB 3.79Å; F947-C962 HydrophobicContact CE2-CB 4.26Å; F947-C962 HydrophobicContact CZ-CB 3.44Å; F947-C962 VanDerWaalsContact CZ-CB 3.44Å; L950-C962 HydrophobicContact CD1-CB 3.65Å; L950-C962 HydrophobicContact CD2-CB 4.27Å; C962-I969 CarbonylContact O-C 3.6Å; C962-I969 VanDerWaalsContact O-CA 3.27Å; C962-I969 WeakPolarHBondContact O-CA 3.28Å; C962-T970 WeakPolarHBondContact CB-O 3.02Å; C962-T970 PolarHBondContact N-O 3.27Å; C962-T970 PolarHBondContact O-N 2.87Å |
| 963 | G | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 114.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L950 L951 F952 | L950-G963 WeakPolarHBondContact CD1-O 3.23Å; L951-G963 PolarHBondContact N-O 3.04Å; F952-G963 PolarHBondContact N-O 3.18Å; F952-G963 PolarHBondContact O-N 3.11Å |
| 964 | D | 93.5 | Very high | 94 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 150.1 | 175.7 | -173.5 | -87.2 | 0 | 0 | 0 | 110.8 | F947 V948 S949 Q966 H967 S968 | F947-D964 WeakPolarHBondContact CA-OD2 3.47Å; F947-D964 VanDerWaalsContact CB-OD2 3.29Å; F947-D964 WeakPolarHBondContact CB-OD2 3.27Å; F947-D964 HydrophobicContact CD1-CB 4.27Å; V948-D964 PolarHBondContact N-OD2 3.43Å; S949-D964 PolarHBondContact N-OD2 3.33Å; S949-D964 CarbonylContact O-C 3.53Å; S949-D964 WeakPolarHBondContact O-CA 3.46Å; D964-Q966 PolarHBondContact O-N 2.82Å; D964-Q966 PolarHBondContact OD1-N 2.91Å; D964-H967 HydrophobicContact CB-CB 4.04Å; D964-H967 IonicContact OD1-CG 4Å; D964-H967 PolarHBondContact OD1-N 3Å; D964-H967 IonicContact OD1-ND1 2.69Å; D964-S968 PolarHBondContact N-O 2.71Å |
| 965 | L | 89.6 | Confident | 93.8 | Very high | 59 Ų | 59 | 31.3 Ų | 31.3 | 31% | 0.309 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -54.3 | -37.7 | 177.2 | 174.5 | 65.3 | 0 | 0 | 0 | 112.7 | S949 L951 W992 | S949-L965 PolarHBondContact O-N 2.99Å; L951-L965 HydrophobicContact CD1-CB 3.96Å; L951-L965 HydrophobicContact CD1-CD1 3.75Å; L951-L965 HydrophobicContact CD1-CG 4.46Å; L951-L965 HydrophobicContact CG-CB 4.19Å; L965-W992 HydrophobicContact CD1-CE3 3.85Å; L965-W992 HydrophobicContact CD1-CZ3 3.97Å; L965-W992 HydrophobicContact CD2-CZ3 4.19Å; L965-W992 HydrophobicContact CG-CE3 4.04Å; L965-W992 HydrophobicContact CG-CZ3 3.87Å; L965-W992 VanDerWaalsContact O-CA 3.32Å; L965-W992 WeakPolarHBondContact O-CA 3.02Å |
| 966 | Q | 87.6 | Confident | 93.3 | Very high | 76 Ų | 76 | 35.3 Ų | 35.3 | 36% | 0.355 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -126.2 | -34.4 | -175.5 | -172.7 | 179.8 | -5.1 | 0 | 0 | 113.1 | D964 S968 P990 K991 W992 | D964-Q966 PolarHBondContact O-N 2.82Å; D964-Q966 PolarHBondContact OD1-N 2.91Å; Q966-S968 PolarHBondContact O-N 2.76Å; Q966-P990 HydrophobicContact CG-CB 4.37Å; Q966-P990 CarbonylContact O-C 3.57Å; Q966-P990 WeakPolarHBondContact O-CA 3.41Å; Q966-P990 WeakPolarHBondContact O-CB 3.42Å; Q966-K991 CarbonylContact C-O 3.59Å; Q966-K991 PolarHBondContact O-N 3.42Å; Q966-W992 HydrophobicContact CG-CZ2 4.25Å |
| 967 | H | 89.4 | Confident | 92.8 | Very high | 78 Ų | 78 | 36.6 Ų | 36.6 | 36% | 0.361 | 22% | 0.219 | S | C | . | . | B | Isolated β-bridge | trans | -88 | 28.9 | -175.3 | -68.6 | 103.6 | 0 | 0 | 0 | 114.1 | V948 D964 I969 | V948-H967 WeakPolarHBondContact CG2-CE1 3.44Å; V948-H967 WeakPolarHBondContact CG2-ND1 3.47Å; D964-H967 HydrophobicContact CB-CB 4.04Å; D964-H967 IonicContact OD1-CG 4Å; D964-H967 PolarHBondContact OD1-N 3Å; D964-H967 IonicContact OD1-ND1 2.69Å; H967-I969 PolarHBondContact O-N 3.49Å |
| 968 | S | 92.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | 50 | -128.4 | 177 | -167.4 | 0 | 0 | 0 | 0 | 112 | D964 Q966 D987 Y989 L993 | D964-S968 PolarHBondContact N-O 2.71Å; Q966-S968 PolarHBondContact O-N 2.76Å; S968-D987 PolarHBondContact OG-OD2 2.9Å; S968-Y989 WeakPolarHBondContact CB-O 3.48Å; S968-L993 VanDerWaalsContact C-CD1 3.47Å; S968-L993 VanDerWaalsContact O-CD1 3.24Å; S968-L993 WeakPolarHBondContact O-CD1 3.45Å | ||
| 969 | I | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 145.5 | -171.7 | 63.7 | 166.3 | 0 | 0 | 0 | 113.8 | M961 C962 H967 I971 D987 L993 I996 Y1004 L1006 I1031 | M961-I969 HydrophobicContact CE-CB 4.21Å; M961-I969 HydrophobicContact CE-CD1 3.7Å; M961-I969 HydrophobicContact CE-CG2 3.71Å; C962-I969 CarbonylContact O-C 3.6Å; C962-I969 VanDerWaalsContact O-CA 3.27Å; C962-I969 WeakPolarHBondContact O-CA 3.28Å; H967-I969 PolarHBondContact O-N 3.49Å; I969-I971 HydrophobicContact CD1-CD1 4.48Å; I969-D987 HydrophobicContact CG1-CB 3.99Å; I969-D987 PolarHBondContact O-N 3.44Å; I969-L993 HydrophobicContact CG2-CD1 3.62Å; I969-I996 HydrophobicContact CG2-CG2 4.03Å; I969-Y1004 HydrophobicContact CD1-CD2 3.79Å; I969-Y1004 HydrophobicContact CD1-CE2 4.47Å; I969-Y1004 HydrophobicContact CD1-CG 3.84Å; I969-L1006 HydrophobicContact CD1-CD1 4.24Å; I969-L1006 HydrophobicContact CD1-CD2 4.16Å; I969-L1006 HydrophobicContact CG1-CD1 4.29Å; I969-L1006 HydrophobicContact CG2-CD1 4.09Å; I969-L1006 HydrophobicContact CG2-CD2 3.48Å; I969-L1006 VanDerWaalsContact CG2-CD2 3.48Å; I969-L1006 HydrophobicContact CG2-CG 4.46Å; I969-I1031 HydrophobicContact CD1-CD1 3.7Å; I969-I1031 HydrophobicContact CD1-CG2 4.33Å; I969-I1031 HydrophobicContact CG1-CD1 3.89Å |
| 970 | T | 95.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 132.5 | 169.9 | -57.5 | 0 | 0 | 0 | 0 | 109.1 | F947 C962 L972 L983 K986 | F947-T970 HydrophobicContact CE1-CG2 4.45Å; C962-T970 WeakPolarHBondContact CB-O 3.02Å; C962-T970 PolarHBondContact N-O 3.27Å; C962-T970 PolarHBondContact O-N 2.87Å; T970-L972 HydrophobicContact CG2-CD2 3.84Å; T970-L972 HydrophobicContact CG2-CG 4.23Å; T970-L983 HydrophobicContact CG2-CD1 3.4Å; T970-L983 VanDerWaalsContact CG2-CD1 3.4Å; T970-K986 HydrophobicContact CG2-CD 4.42Å; T970-K986 HydrophobicContact CG2-CG 4.46Å |
| 971 | I | 96.1 | Very high | 92 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 121.8 | 177.5 | -49 | -60.7 | 0 | 0 | 0 | 108.4 | L959 I960 M961 I969 I984 A985 F998 Y1004 I1031 | L959-I971 HydrophobicContact CB-CG2 4.44Å; L959-I971 HydrophobicContact CD2-CG2 4.16Å; I960-I971 CarbonylContact O-C 3.48Å; I960-I971 WeakPolarHBondContact O-CA 3.39Å; M961-I971 HydrophobicContact CB-CD1 3.71Å; M961-I971 HydrophobicContact CG-CD1 3.61Å; M961-I971 HydrophobicContact SD-CD1 4.48Å; I969-I971 HydrophobicContact CD1-CD1 4.48Å; I971-I984 HydrophobicContact CB-CB 4.4Å; I971-I984 HydrophobicContact CG2-CB 4.13Å; I971-I984 HydrophobicContact CG2-CG2 4.37Å; I971-I984 PolarHBondContact O-N 2.95Å; I971-A985 HydrophobicContact CB-CB 4.12Å; I971-A985 HydrophobicContact CG1-CB 4.15Å; I971-A985 PolarHBondContact N-O 2.86Å; I971-A985 PolarHBondContact O-N 3.19Å; I971-F998 HydrophobicContact CD1-CE1 4.33Å; I971-Y1004 HydrophobicContact CD1-CD1 4.25Å; I971-Y1004 HydrophobicContact CD1-CE1 3.76Å; I971-Y1004 HydrophobicContact CG1-CE1 4.16Å; I971-Y1004 HydrophobicContact CG1-CE2 4.45Å; I971-I1031 HydrophobicContact CG1-CD1 3.87Å |
| 972 | L | 95.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 162.1 | 179.6 | -56.5 | 177.1 | 0 | 0 | 0 | 110.2 | L924 Y944 F947 I960 T970 F981 N982 L983 | L924-L972 HydrophobicContact CD2-CD1 3.98Å; Y944-L972 HydrophobicContact CD1-CD1 3.74Å; Y944-L972 HydrophobicContact CD2-CD1 4.4Å; Y944-L972 HydrophobicContact CE1-CD1 4.06Å; Y944-L972 HydrophobicContact CE1-CD2 4.07Å; Y944-L972 HydrophobicContact CE2-CD2 4.16Å; Y944-L972 HydrophobicContact CG-CD1 3.91Å; F947-L972 HydrophobicContact CZ-CD1 4.44Å; I960-L972 HydrophobicContact CB-CB 4.33Å; I960-L972 PolarHBondContact N-O 3.06Å; I960-L972 PolarHBondContact O-N 2.97Å; T970-L972 HydrophobicContact CG2-CD2 3.84Å; T970-L972 HydrophobicContact CG2-CG 4.23Å; L972-F981 HydrophobicContact CD1-CB 4.3Å; L972-F981 HydrophobicContact CD1-CG 4.47Å; L972-N982 CarbonylContact C-O 3.49Å; L972-N982 VanDerWaalsContact CA-O 3.26Å; L972-N982 WeakPolarHBondContact CA-O 3.44Å; L972-L983 HydrophobicContact CD2-CB 4.39Å; L972-L983 HydrophobicContact CD2-CD1 3.89Å |
| 973 | S | 95 | Very high | 91.6 | Very high | 16 Ų | 16 | 45 Ų | 45 | 11% | 0.112 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 159.5 | 161.9 | 72.4 | 0 | 0 | 0 | 0 | 109.9 | D958 N982 | D958-S973 WeakPolarHBondContact O-CA 3.25Å; D958-S973 WeakPolarHBondContact O-CB 3.43Å; S973-N982 PolarHBondContact N-O 2.94Å; S973-N982 PolarHBondContact O-N 3.3Å |
| 974 | H | 94.4 | Very high | 91.6 | Very high | 11 Ų | 11 | 48.1 Ų | 48.1 | 5% | 0.051 | 27% | 0.272 | C | S | . | . | trans | -130.8 | 125.2 | 175.9 | 178.4 | -94.6 | 0 | 0 | 0 | 109.7 | Y912 L926 I960 S978 F981 | Y912-H974 HydrophobicContact CE1-CB 3.87Å; Y912-H974 PolarHBondContact OH-N 3.12Å; Y912-H974 PolarHBondContact OH-O 3.32Å; L926-H974 WeakPolarHBondContact CD2-CE1 3.4Å; L926-H974 WeakPolarHBondContact CD2-ND1 3.16Å; I960-H974 HydrophobicContact CD1-CB 4.47Å; H974-S978 PolarHBondContact NE2-O 3.38Å; H974-F981 HydrophobicContact CB-CD1 3.84Å; H974-F981 HydrophobicContact CB-CE1 3.92Å | ||
| 975 | E | 91.5 | Very high | 91.6 | Very high | 127 Ų | 127 | 48 Ų | 48 | 59% | 0.593 | 27% | 0.272 | S | S | * | . | trans | -90.4 | 139.2 | 174.8 | -69.3 | -178.3 | -175.8 | 0 | 0 | 110.4 | G977 S978 | E975-G977 PolarHBondContact O-N 2.83Å; E975-S978 WeakPolarHBondContact O-CB 3.44Å; E975-S978 PolarHBondContact O-N 3.15Å | ||
| 976 | D | 84.2 | Confident | 91.8 | Very high | 126 Ų | 126 | 46.4 Ų | 46.4 | 67% | 0.674 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 125.7 | 178 | -82 | -33.4 | 0 | 0 | 0 | 111.8 | K915 | K915-D976 IonicContact NZ-OD1 3.82Å; K915-D976 PolarHBondContact NZ-OD1 3.48Å |
| 977 | G | 82.9 | Confident | 92 | Very high | 83 Ų | 83 | 42.8 Ų | 42.8 | 86% | 0.856 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.4 | -11.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | E975 | E975-G977 PolarHBondContact O-N 2.83Š|
| 978 | S | 88.1 | Confident | 91.9 | Very high | 38 Ų | 38 | 43.5 Ų | 43.5 | 27% | 0.266 | 25% | 0.245 | S | C | . | . | trans | -77 | 141.5 | 171.7 | -178.6 | 0 | 0 | 0 | 0 | 111.2 | H974 E975 E980 | H974-S978 PolarHBondContact NE2-O 3.38Å; E975-S978 WeakPolarHBondContact O-CB 3.44Å; E975-S978 PolarHBondContact O-N 3.15Å; S978-E980 VanDerWaalsContact C-N 3.33Å; S978-E980 PolarHBondContact OG-N 2.61Å; S978-E980 PolarHBondContact OG-O 3.37Å | ||
| 979 | S | 87.9 | Confident | 91.7 | Very high | 82 Ų | 82 | 50.9 Ų | 50.9 | 57% | 0.573 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -87.4 | -4.9 | 167.4 | 55.4 | 0 | 0 | 0 | 0 | 113.1 | A942 | A942-S979 WeakPolarHBondContact CA-O 3.25Å; A942-S979 WeakPolarHBondContact CB-O 3.46Å |
| 980 | E | 90.4 | Very high | 91.4 | Very high | 134 Ų | 134 | 54.2 Ų | 54.2 | 63% | 0.626 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -121.8 | 150.1 | -174.2 | -64.3 | -175.5 | 178.9 | 0 | 0 | 111.6 | S978 | S978-E980 VanDerWaalsContact C-N 3.33Å; S978-E980 PolarHBondContact OG-N 2.61Å; S978-E980 PolarHBondContact OG-O 3.37Å |
| 981 | F | 93.7 | Very high | 91.2 | Very high | 14 Ų | 14 | 55.3 Ų | 55.3 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -89.5 | 138.7 | 171.4 | -70.4 | -87.3 | 0 | 0 | 0 | 110.4 | L917 L924 L926 A942 Y944 I960 L972 H974 | L917-F981 HydrophobicContact CD2-CE1 4Å; L917-F981 HydrophobicContact CD2-CZ 3.82Å; L924-F981 HydrophobicContact CD2-CE1 4.06Å; L924-F981 HydrophobicContact CD2-CZ 4Å; L924-F981 HydrophobicContact CG-CZ 4.31Å; L926-F981 HydrophobicContact CB-CZ 3.89Å; A942-F981 HydrophobicContact CB-CD2 4.13Å; A942-F981 HydrophobicContact CB-CE2 3.72Å; A942-F981 HydrophobicContact CB-CZ 4.34Å; Y944-F981 HydrophobicContact CD2-CB 3.98Å; Y944-F981 HydrophobicContact CG-CB 4.47Å; I960-F981 HydrophobicContact CD1-CD1 4.09Å; I960-F981 HydrophobicContact CD1-CE1 3.71Å; L972-F981 HydrophobicContact CD1-CB 4.3Å; L972-F981 HydrophobicContact CD1-CG 4.47Å; H974-F981 HydrophobicContact CB-CD1 3.84Å; H974-F981 HydrophobicContact CB-CE1 3.92Å |
| 982 | N | 92.5 | Very high | 90.9 | Very high | 61 Ų | 61 | 59.8 Ų | 59.8 | 33% | 0.326 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 127.7 | 176 | -69.2 | -30.7 | 0 | 0 | 0 | 110.1 | L972 S973 I984 | L972-N982 CarbonylContact C-O 3.49Å; L972-N982 VanDerWaalsContact CA-O 3.26Å; L972-N982 WeakPolarHBondContact CA-O 3.44Å; S973-N982 PolarHBondContact N-O 2.94Å; S973-N982 PolarHBondContact O-N 3.3Å; N982-I984 PolarHBondContact O-N 2.76Å |
| 983 | L | 93.2 | Very high | 90.9 | Very high | 36 Ų | 36 | 60 Ų | 60 | 19% | 0.188 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 116.3 | 173.8 | 178.8 | 65.4 | 0 | 0 | 0 | 110.4 | T970 L972 K986 D1026 | T970-L983 HydrophobicContact CG2-CD1 3.4Å; T970-L983 VanDerWaalsContact CG2-CD1 3.4Å; L972-L983 HydrophobicContact CD2-CB 4.39Å; L972-L983 HydrophobicContact CD2-CD1 3.89Å; L983-K986 HydrophobicContact CD1-CB 4.4Å; L983-D1026 HydrophobicContact CD2-CB 3.64Å |
| 984 | I | 94.1 | Very high | 90.9 | Very high | 66 Ų | 66 | 59.7 Ų | 59.7 | 34% | 0.338 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -48.7 | 179.6 | -59.5 | -58.8 | 0 | 0 | 0 | 111.2 | L959 I971 N982 G1028 E1029 | L959-I984 HydrophobicContact CD2-CG1 4.29Å; L959-I984 HydrophobicContact CD2-CG2 4.4Å; I971-I984 HydrophobicContact CB-CB 4.4Å; I971-I984 HydrophobicContact CG2-CB 4.13Å; I971-I984 HydrophobicContact CG2-CG2 4.37Å; I971-I984 PolarHBondContact O-N 2.95Å; N982-I984 PolarHBondContact O-N 2.76Å; I984-G1028 CarbonylContact O-C 3.59Å; I984-G1028 WeakPolarHBondContact O-CA 3.44Å; I984-E1029 PolarHBondContact O-N 2.83Å |
| 985 | A | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 154.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I971 E1029 I1031 | I971-A985 HydrophobicContact CB-CB 4.12Å; I971-A985 HydrophobicContact CG1-CB 4.15Å; I971-A985 PolarHBondContact N-O 2.86Å; I971-A985 PolarHBondContact O-N 3.19Å; A985-E1029 CarbonylContact C-O 3.59Å; A985-E1029 WeakPolarHBondContact CA-O 3.19Å; A985-E1029 HydrophobicContact CB-CB 4.09Å; A985-E1029 WeakPolarHBondContact CB-O 3.25Å; A985-I1031 HydrophobicContact CB-CD1 3.88Å; A985-I1031 HydrophobicContact CB-CG1 3.78Å |
| 986 | K | 93.2 | Very high | 91.2 | Very high | 24 Ų | 24 | 53.5 Ų | 53.5 | 10% | 0.104 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 141.3 | 179.2 | -168.6 | 166 | -176.1 | 173.7 | 0 | 112.1 | S946 T970 L983 Y988 E1029 I1031 | S946-K986 PolarHBondContact OG-NZ 3.41Å; T970-K986 HydrophobicContact CG2-CD 4.42Å; T970-K986 HydrophobicContact CG2-CG 4.46Å; L983-K986 HydrophobicContact CD1-CB 4.4Å; K986-Y988 HydrophobicContact CB-CE2 4.03Å; K986-Y988 HydrophobicContact CD-CE1 4.12Å; K986-Y988 HydrophobicContact CG-CE2 4.34Å; K986-E1029 PolarHBondContact N-O 3.36Å; K986-I1031 PolarHBondContact O-N 2.84Å |
| 987 | D | 92.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | trans | -94.4 | 120.3 | 165.9 | -168.5 | -8.3 | 0 | 0 | 0 | 109.4 | S968 I969 Y989 K991 I1031 | S968-D987 PolarHBondContact OG-OD2 2.9Å; I969-D987 HydrophobicContact CG1-CB 3.99Å; I969-D987 PolarHBondContact O-N 3.44Å; D987-Y989 PolarHBondContact OD1-N 2.94Å; D987-K991 IonicContact OD1-NZ 3.38Å; D987-K991 IonicContact OD2-NZ 3.23Å; D987-K991 PolarHBondContact OD2-NZ 3.1Å; D987-I1031 HydrophobicContact CB-CB 4.01Å; D987-I1031 HydrophobicContact CB-CG2 4.25Å | ||
| 988 | Y | 88 | Confident | 92.2 | Very high | 92 Ų | 92 | 44.7 Ų | 44.7 | 36% | 0.361 | 22% | 0.221 | S | C | . | . | trans | -93.1 | -6 | -179.9 | -68.2 | -90.5 | 0 | 0 | 0 | 112.7 | K986 P1023 D1026 L1030 | K986-Y988 HydrophobicContact CB-CE2 4.03Å; K986-Y988 HydrophobicContact CD-CE1 4.12Å; K986-Y988 HydrophobicContact CG-CE2 4.34Å; Y988-P1023 HydrophobicContact CE2-CG 3.8Å; Y988-D1026 PolarHBondContact OH-OD2 3.39Å; Y988-L1030 HydrophobicContact CD2-CD1 3.67Å; Y988-L1030 HydrophobicContact CE2-CD1 4.28Å | ||
| 989 | Y | 88.5 | Confident | 92.5 | Very high | 155 Ų | 155 | 42.9 Ų | 42.9 | 61% | 0.608 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -85.9 | 124.1 | 177.1 | -74.8 | -84 | 0 | 0 | 0 | 110.3 | S968 D987 K991 | S968-Y989 WeakPolarHBondContact CB-O 3.48Å; D987-Y989 PolarHBondContact OD1-N 2.94Å; Y989-K991 PolarHBondContact O-N 2.92Å |
| 990 | P | 88.4 | Confident | 92.5 | Very high | 70 Ų | 70 | 41.3 Ų | 41.3 | 46% | 0.455 | 19% | 0.194 | S | C | . | . | trans | -65.7 | 131 | -176.2 | 27 | -33.9 | 0 | 0 | 0 | 110.8 | Q966 | Q966-P990 HydrophobicContact CG-CB 4.37Å; Q966-P990 CarbonylContact O-C 3.57Å; Q966-P990 WeakPolarHBondContact O-CA 3.41Å; Q966-P990 WeakPolarHBondContact O-CB 3.42Å | ||
| 991 | K | 90.2 | Very high | 92.6 | Very high | 25 Ų | 25 | 39.1 Ų | 39.1 | 11% | 0.109 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -141.2 | 132.9 | 175.7 | -63 | -177 | -171.4 | 68.5 | 0 | 108.2 | Q966 D987 Y989 L993 L1006 | Q966-K991 CarbonylContact C-O 3.59Å; Q966-K991 PolarHBondContact O-N 3.42Å; D987-K991 IonicContact OD1-NZ 3.38Å; D987-K991 IonicContact OD2-NZ 3.23Å; D987-K991 PolarHBondContact OD2-NZ 3.1Å; Y989-K991 PolarHBondContact O-N 2.92Å; K991-L993 HydrophobicContact CB-CD2 4Å; K991-L993 PolarHBondContact O-N 2.67Å; K991-L1006 HydrophobicContact CD-CD1 4.32Å |
| 992 | W | 91.3 | Very high | 92.5 | Very high | 95 Ų | 95 | 46 Ų | 46 | 36% | 0.36 | 21% | 0.212 | S | C | . | . | trans | -86.1 | 88.4 | 178.9 | -68.2 | 84.1 | 0 | 0 | 0 | 109.5 | L965 Q966 D1008 T1009 | L965-W992 HydrophobicContact CD1-CE3 3.85Å; L965-W992 HydrophobicContact CD1-CZ3 3.97Å; L965-W992 HydrophobicContact CD2-CZ3 4.19Å; L965-W992 HydrophobicContact CG-CE3 4.04Å; L965-W992 HydrophobicContact CG-CZ3 3.87Å; L965-W992 VanDerWaalsContact O-CA 3.32Å; L965-W992 WeakPolarHBondContact O-CA 3.02Å; Q966-W992 HydrophobicContact CG-CZ2 4.25Å; W992-D1008 CarbonylContact O-C 3.48Å; W992-D1008 WeakPolarHBondContact O-CA 3.42Å; W992-D1008 VanDerWaalsContact O-CB 3.31Å; W992-D1008 WeakPolarHBondContact O-CB 3.3Å; W992-T1009 HydrophobicContact CB-CG2 3.99Å; W992-T1009 VanDerWaalsContact CB-OG1 3.28Å; W992-T1009 WeakPolarHBondContact CB-OG1 3.29Å; W992-T1009 PolarHBondContact O-N 2.93Å | ||
| 993 | L | 93.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 145.2 | -168.1 | -61.6 | 178.8 | 0 | 0 | 0 | 112.6 | F952 S968 I969 K991 I996 L1006 A1007 | F952-L993 HydrophobicContact CD2-CB 4.35Å; F952-L993 HydrophobicContact CE2-CB 4.03Å; F952-L993 WeakPolarHBondContact CE2-O 3.41Å; S968-L993 VanDerWaalsContact C-CD1 3.47Å; S968-L993 VanDerWaalsContact O-CD1 3.24Å; S968-L993 WeakPolarHBondContact O-CD1 3.45Å; I969-L993 HydrophobicContact CG2-CD1 3.62Å; K991-L993 HydrophobicContact CB-CD2 4Å; K991-L993 PolarHBondContact O-N 2.67Å; L993-I996 HydrophobicContact CD1-CG2 3.83Å; L993-L1006 HydrophobicContact CD2-CB 4Å; L993-L1006 HydrophobicContact CD2-CD1 4.22Å; L993-L1006 HydrophobicContact CD2-CG 4.47Å; L993-A1007 WeakPolarHBondContact CA-O 3.47Å |
| 994 | T | 95.1 | Very high | 92.6 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 5% | 0.049 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | -27.2 | 172.4 | 65 | 0 | 0 | 0 | 0 | 112.6 | F952 A1007 D1008 T1009 F1042 V1043 | F952-T994 WeakPolarHBondContact CE1-O 3.26Å; F952-T994 WeakPolarHBondContact CZ-O 3.26Å; T994-A1007 PolarHBondContact N-O 2.86Å; T994-A1007 WeakPolarHBondContact OG1-CB 3.49Å; T994-D1008 VanDerWaalsContact CG2-C 3.46Å; T994-T1009 HydrophobicContact CG2-CG2 3.59Å; T994-F1042 HydrophobicContact CG2-CD2 4.41Å; T994-F1042 HydrophobicContact CG2-CE1 3.76Å; T994-F1042 HydrophobicContact CG2-CE2 3.65Å; T994-F1042 HydrophobicContact CG2-CZ 3.28Å; T994-V1043 CarbonylContact C-O 3.59Å; T994-V1043 WeakPolarHBondContact CB-O 3.46Å; T994-V1043 PolarHBondContact OG1-O 3.07Å |
| 995 | A | 96 | Very high | 92.7 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 153.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A1007 V1043 I1046 | A995-A1007 HydrophobicContact CB-CB 4.2Å; A995-A1007 PolarHBondContact O-N 3.48Å; A995-V1043 HydrophobicContact CB-CG1 3.93Å; A995-I1046 HydrophobicContact CB-CD1 3.79Å; A995-I1046 HydrophobicContact CB-CG1 3.8Å |
| 996 | I | 96.3 | Very high | 92.8 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 143.9 | -179.1 | 59.4 | 165.2 | 0 | 0 | 0 | 111.5 | F952 K954 M961 I969 L993 L1006 | F952-I996 HydrophobicContact CB-CD1 3.46Å; F952-I996 VanDerWaalsContact CB-CD1 3.46Å; F952-I996 HydrophobicContact CB-CG1 3.59Å; F952-I996 HydrophobicContact CD2-CG2 4.45Å; F952-I996 HydrophobicContact CG-CG1 4.26Å; K954-I996 HydrophobicContact CG-CD1 4.18Å; K954-I996 HydrophobicContact CG-CG1 4.07Å; M961-I996 HydrophobicContact CE-CB 3.74Å; M961-I996 HydrophobicContact CE-CD1 4.44Å; M961-I996 HydrophobicContact CE-CG2 4.18Å; M961-I996 HydrophobicContact CG-CD1 3.9Å; M961-I996 HydrophobicContact SD-CB 4.21Å; M961-I996 HydrophobicContact SD-CD1 4.16Å; I969-I996 HydrophobicContact CG2-CG2 4.03Å; L993-I996 HydrophobicContact CD1-CG2 3.83Å; I996-L1006 HydrophobicContact CB-CD2 4.26Å; I996-L1006 HydrophobicContact CG2-CD2 3.79Å |
| 997 | A | 95.4 | Very high | 93 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 7% | 0.066 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 144 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y1004 L1005 I1046 M1067 | A997-Y1004 WeakPolarHBondContact O-CA 3.36Å; A997-L1005 PolarHBondContact N-O 2.78Å; A997-L1005 PolarHBondContact O-N 2.84Å; A997-I1046 HydrophobicContact CB-CB 4.01Å; A997-I1046 HydrophobicContact CB-CD1 4.43Å; A997-I1046 HydrophobicContact CB-CG2 3.56Å; A997-M1067 HydrophobicContact CB-SD 4Å |
| 998 | F | 94.4 | Very high | 93 | Very high | 16 Ų | 16 | 39 Ų | 39 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 121.4 | 165.5 | -74.3 | -81 | 0 | 0 | 0 | 110.5 | K954 R956 L959 M961 I971 Y1004 | K954-F998 HydrophobicContact CB-CD2 4.18Å; K954-F998 HydrophobicContact CB-CE2 4.14Å; R956-F998 HydrophobicContact CB-CD1 4.49Å; R956-F998 HydrophobicContact CB-CD2 3.79Å; R956-F998 HydrophobicContact CB-CE2 3.88Å; R956-F998 HydrophobicContact CB-CG 4.09Å; R956-F998 HydrophobicContact CB-CZ 4.25Å; L959-F998 HydrophobicContact CB-CE1 4.24Å; L959-F998 HydrophobicContact CB-CZ 4.03Å; M961-F998 HydrophobicContact CB-CD2 4.26Å; M961-F998 HydrophobicContact CB-CE1 4.11Å; M961-F998 HydrophobicContact CB-CE2 3.41Å; M961-F998 VanDerWaalsContact CB-CE2 3.41Å; M961-F998 HydrophobicContact CB-CZ 3.34Å; M961-F998 HydrophobicContact CG-CE2 4.46Å; M961-F998 HydrophobicContact CG-CZ 4.4Å; M961-F998 HydrophobicContact SD-CD1 4.5Å; M961-F998 HydrophobicContact SD-CD2 4.21Å; M961-F998 HydrophobicContact SD-CE2 4.24Å; M961-F998 HydrophobicContact SD-CG 4.36Å; M961-F998 HydrophobicContact SD-CZ 4.43Å; I971-F998 HydrophobicContact CD1-CE1 4.33Å; F998-Y1004 AromaticContact CD1-CD1 3.84Å; F998-Y1004 HydrophobicContact CD1-CD1 3.84Å; F998-Y1004 AromaticContact CD1-CE1 3.7Å; F998-Y1004 HydrophobicContact CD1-CE1 3.7Å; F998-Y1004 HydrophobicContact CE1-CD1 4.19Å; F998-Y1004 AromaticContact CE1-CE1 3.73Å; F998-Y1004 HydrophobicContact CE1-CE1 3.73Å |
| 999 | V | 92.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -80.8 | -55.7 | 168.7 | -169.9 | 0 | 0 | 0 | 0 | 108.7 | R956 E1003 L1005 Y1015 M1067 Q1081 | R956-V999 PolarHBondContact NH1-O 3.4Å; V999-E1003 HydrophobicContact CB-CB 4.12Å; V999-E1003 WeakPolarHBondContact CB-O 3.08Å; V999-E1003 PolarHBondContact N-O 3.2Å; V999-L1005 HydrophobicContact CG2-CB 3.94Å; V999-Y1015 HydrophobicContact CG1-CE2 4.48Å; V999-Y1015 HydrophobicContact CG2-CE2 3.97Å; V999-M1067 HydrophobicContact CB-CE 4.47Å; V999-M1067 HydrophobicContact CG1-CE 4.25Å; V999-M1067 HydrophobicContact CG2-CE 3.71Å; V999-M1067 HydrophobicContact CG2-SD 3.87Å; V999-Q1081 HydrophobicContact CG1-CG 3.76Å; V999-Q1081 VanDerWaalsContact CG1-NE2 3.35Å |
| 1000 | N | 89.4 | Confident | 93.3 | Very high | 48 Ų | 48 | 28.7 Ų | 28.7 | 26% | 0.257 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -137 | -164.9 | 165.2 | 65.8 | 36.6 | 0 | 0 | 0 | 110.8 | R956 R1002 E1003 | R956-N1000 VanDerWaalsContact CZ-CA 3.5Å; R956-N1000 VanDerWaalsContact NH1-CA 3.3Å; N1000-R1002 PolarHBondContact O-N 2.89Å; N1000-R1002 PolarHBondContact OD1-N 2.62Å; N1000-E1003 PolarHBondContact N-O 3.39Å; N1000-E1003 VanDerWaalsContact ND2-CD 3.33Å; N1000-E1003 PolarHBondContact ND2-OE2 2.92Å; N1000-E1003 VanDerWaalsContact OD1-CB 3.26Å; N1000-E1003 WeakPolarHBondContact OD1-CB 3.48Å; N1000-E1003 WeakPolarHBondContact OD1-CG 3.36Å; N1000-E1003 PolarHBondContact OD1-N 3.22Å |
| 1001 | D | 91.4 | Very high | 93.6 | Very high | 89 Ų | 89 | 26.4 Ų | 26.4 | 48% | 0.476 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -71.7 | -15.5 | -175.2 | -54.3 | -4 | 0 | 0 | 0 | 112.1 | R956 L959 Y1004 | R956-D1001 IonicContact CZ-OD1 3.54Å; R956-D1001 IonicContact NE-OD1 3.49Å; R956-D1001 PolarHBondContact NE-OD1 2.86Å; R956-D1001 IonicContact NH2-OD1 3.47Å; R956-D1001 PolarHBondContact NH2-OD1 2.83Å; L959-D1001 HydrophobicContact CD1-CB 3.99Å; D1001-Y1004 PolarHBondContact O-OH 3.31Å |
| 1002 | R | 92.3 | Very high | 93.8 | Very high | 157 Ų | 157 | 25.3 Ų | 25.3 | 59% | 0.592 | 12% | 0.116 | S | C | * | . | S | Bend | trans | -126.2 | -2.1 | -177 | -66.8 | -170.3 | 172.1 | -160.4 | -6 | 114.7 | N1000 E1017 C1018 | N1000-R1002 PolarHBondContact O-N 2.89Å; N1000-R1002 PolarHBondContact OD1-N 2.62Å; R1002-E1017 WeakPolarHBondContact O-CA 3.27Å; R1002-C1018 HydrophobicContact CB-CB 4.37Å; R1002-C1018 PolarHBondContact O-N 2.85Å |
| 1003 | E | 93.4 | Very high | 94 | Very high | 28 Ų | 28 | 20.8 Ų | 20.8 | 13% | 0.131 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 136.3 | -174.4 | -63 | 176.3 | 150 | 0 | 0 | 110.1 | S2 V999 N1000 Y1015 C1016 E1017 Q1081 | S2-E1003 WeakPolarHBondContact CB-OE1 3.39Å; S2-E1003 VanDerWaalsContact OG-CD 3.3Å; S2-E1003 PolarHBondContact OG-OE1 2.8Å; V999-E1003 HydrophobicContact CB-CB 4.12Å; V999-E1003 WeakPolarHBondContact CB-O 3.08Å; V999-E1003 PolarHBondContact N-O 3.2Å; N1000-E1003 PolarHBondContact N-O 3.39Å; N1000-E1003 VanDerWaalsContact ND2-CD 3.33Å; N1000-E1003 PolarHBondContact ND2-OE2 2.92Å; N1000-E1003 VanDerWaalsContact OD1-CB 3.26Å; N1000-E1003 WeakPolarHBondContact OD1-CB 3.48Å; N1000-E1003 WeakPolarHBondContact OD1-CG 3.36Å; N1000-E1003 PolarHBondContact OD1-N 3.22Å; E1003-Y1015 HydrophobicContact CB-CE2 4.48Å; E1003-Y1015 VanDerWaalsContact CB-OH 3.3Å; E1003-Y1015 WeakPolarHBondContact CB-OH 2.91Å; E1003-Y1015 WeakPolarHBondContact CG-OH 3.42Å; E1003-Y1015 PolarHBondContact OE1-OH 2.93Å; E1003-Y1015 PolarHBondContact OE2-OH 2.77Å; E1003-C1016 CarbonylContact C-O 3.45Å; E1003-C1016 WeakPolarHBondContact CA-O 3.42Å; E1003-E1017 HydrophobicContact CG-CB 4.3Å; E1003-Q1081 PolarHBondContact OE2-NE2 3.37Å |
| 1004 | Y | 95.2 | Very high | 94 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 142.4 | -167.4 | -41.1 | -70.9 | 0 | 0 | 0 | 110.5 | M961 I969 I971 A997 F998 D1001 C1016 C1018 I1031 | M961-Y1004 HydrophobicContact CE-CD1 4.26Å; M961-Y1004 HydrophobicContact CE-CG 4.32Å; M961-Y1004 HydrophobicContact SD-CD1 4.3Å; I969-Y1004 HydrophobicContact CD1-CD2 3.79Å; I969-Y1004 HydrophobicContact CD1-CE2 4.47Å; I969-Y1004 HydrophobicContact CD1-CG 3.84Å; I971-Y1004 HydrophobicContact CD1-CD1 4.25Å; I971-Y1004 HydrophobicContact CD1-CE1 3.76Å; I971-Y1004 HydrophobicContact CG1-CE1 4.16Å; I971-Y1004 HydrophobicContact CG1-CE2 4.45Å; A997-Y1004 WeakPolarHBondContact O-CA 3.36Å; F998-Y1004 AromaticContact CD1-CD1 3.84Å; F998-Y1004 HydrophobicContact CD1-CD1 3.84Å; F998-Y1004 AromaticContact CD1-CE1 3.7Å; F998-Y1004 HydrophobicContact CD1-CE1 3.7Å; F998-Y1004 HydrophobicContact CE1-CD1 4.19Å; F998-Y1004 AromaticContact CE1-CE1 3.73Å; F998-Y1004 HydrophobicContact CE1-CE1 3.73Å; D1001-Y1004 PolarHBondContact O-OH 3.31Å; Y1004-C1016 HydrophobicContact CD2-CB 4.32Å; Y1004-C1016 PolarHBondContact N-O 3.26Å; Y1004-C1016 PolarHBondContact O-N 2.83Å; Y1004-C1018 PolarHBondContact OH-SG 3.48Å; Y1004-I1031 HydrophobicContact CD2-CD1 4.27Å; Y1004-I1031 HydrophobicContact CD2-CG2 4.1Å; Y1004-I1031 HydrophobicContact CE2-CD1 3.84Å; Y1004-I1031 HydrophobicContact CE2-CG1 4.13Å; Y1004-I1031 HydrophobicContact CE2-CG2 4.3Å |
| 1005 | L | 95.7 | Very high | 94 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 128.1 | 171.2 | -179.4 | 67.8 | 0 | 0 | 0 | 108.9 | A997 V999 F1013 I1046 M1067 V1079 F1127 | A997-L1005 PolarHBondContact N-O 2.78Å; A997-L1005 PolarHBondContact O-N 2.84Å; V999-L1005 HydrophobicContact CG2-CB 3.94Å; L1005-F1013 HydrophobicContact CD1-CB 4.24Å; L1005-F1013 HydrophobicContact CD1-CD1 4.02Å; L1005-F1013 HydrophobicContact CD1-CG 4.25Å; L1005-F1013 HydrophobicContact CD2-CD1 4.41Å; L1005-F1013 HydrophobicContact CD2-CE1 4.3Å; L1005-F1013 HydrophobicContact CG-CD1 4.22Å; L1005-I1046 HydrophobicContact CD2-CD1 4.38Å; L1005-M1067 HydrophobicContact CB-CE 4.03Å; L1005-M1067 HydrophobicContact CB-SD 4.12Å; L1005-M1067 HydrophobicContact CD2-CE 3.54Å; L1005-M1067 HydrophobicContact CD2-SD 4Å; L1005-M1067 HydrophobicContact CG-CE 4.38Å; L1005-V1079 HydrophobicContact CD2-CB 4.08Å; L1005-V1079 HydrophobicContact CD2-CG1 4.08Å; L1005-V1079 HydrophobicContact CD2-CG2 4.07Å; L1005-F1127 HydrophobicContact CD1-CZ 4.17Å |
| 1006 | L | 96.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 140.5 | -177.6 | -51.7 | -179.3 | 0 | 0 | 0 | 110 | M961 I969 K991 L993 I996 F1013 C1014 | M961-L1006 HydrophobicContact CE-CD2 3.5Å; I969-L1006 HydrophobicContact CD1-CD1 4.24Å; I969-L1006 HydrophobicContact CD1-CD2 4.16Å; I969-L1006 HydrophobicContact CG1-CD1 4.29Å; I969-L1006 HydrophobicContact CG2-CD1 4.09Å; I969-L1006 HydrophobicContact CG2-CD2 3.48Å; I969-L1006 VanDerWaalsContact CG2-CD2 3.48Å; I969-L1006 HydrophobicContact CG2-CG 4.46Å; K991-L1006 HydrophobicContact CD-CD1 4.32Å; L993-L1006 HydrophobicContact CD2-CB 4Å; L993-L1006 HydrophobicContact CD2-CD1 4.22Å; L993-L1006 HydrophobicContact CD2-CG 4.47Å; I996-L1006 HydrophobicContact CB-CD2 4.26Å; I996-L1006 HydrophobicContact CG2-CD2 3.79Å; L1006-F1013 CarbonylContact O-C 3.55Å; L1006-F1013 WeakPolarHBondContact O-CA 3.25Å; L1006-C1014 HydrophobicContact CB-CB 4.41Å; L1006-C1014 PolarHBondContact N-O 2.92Å; L1006-C1014 PolarHBondContact O-N 2.84Å |
| 1007 | A | 96.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 148.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L993 T994 A995 N1012 F1013 V1043 | L993-A1007 WeakPolarHBondContact CA-O 3.47Å; T994-A1007 PolarHBondContact N-O 2.86Å; T994-A1007 WeakPolarHBondContact OG1-CB 3.49Å; A995-A1007 HydrophobicContact CB-CB 4.2Å; A995-A1007 PolarHBondContact O-N 3.48Å; A1007-N1012 VanDerWaalsContact CA-O 3.29Å; A1007-N1012 WeakPolarHBondContact CA-O 3.48Å; A1007-F1013 HydrophobicContact CB-CD1 4.02Å; A1007-F1013 HydrophobicContact CB-CE1 3.93Å; A1007-V1043 HydrophobicContact CB-CB 3.73Å; A1007-V1043 HydrophobicContact CB-CG1 4.19Å; A1007-V1043 HydrophobicContact CB-CG2 4.15Å |
| 1008 | D | 93.3 | Very high | 93.7 | Very high | 10 Ų | 10 | 23 Ų | 23 | 5% | 0.053 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 169 | -179.1 | 75.9 | 11.5 | 0 | 0 | 0 | 114.4 | W992 T994 F1010 F1011 N1012 | W992-D1008 CarbonylContact O-C 3.48Å; W992-D1008 WeakPolarHBondContact O-CA 3.42Å; W992-D1008 VanDerWaalsContact O-CB 3.31Å; W992-D1008 WeakPolarHBondContact O-CB 3.3Å; T994-D1008 VanDerWaalsContact CG2-C 3.46Å; D1008-F1010 PolarHBondContact O-N 3.37Å; D1008-F1010 VanDerWaalsContact O-N 3.16Å; D1008-F1010 WeakPolarHBondContact OD1-CA 3.25Å; D1008-F1010 WeakPolarHBondContact OD1-CB 3.18Å; D1008-F1010 PolarHBondContact OD1-N 2.92Å; D1008-F1011 PolarHBondContact O-N 2.86Å; D1008-F1011 PolarHBondContact OD1-N 3.05Å; D1008-N1012 PolarHBondContact N-O 3.03Å; D1008-N1012 VanDerWaalsContact N-O 3.1Å; D1008-N1012 VanDerWaalsContact OD1-CB 3.3Å; D1008-N1012 WeakPolarHBondContact OD1-CB 3.45Å; D1008-N1012 PolarHBondContact OD1-N 3.27Å; D1008-N1012 PolarHBondContact OD1-ND2 3.48Å; D1008-N1012 PolarHBondContact OD2-ND2 2.87Å |
| 1009 | T | 92 | Very high | 93.3 | Very high | 25 Ų | 25 | 24.3 Ų | 24.3 | 15% | 0.153 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -8.2 | 179.3 | 57.3 | 0 | 0 | 0 | 0 | 114 | Y129 W992 T994 F1011 F1042 | Y129-T1009 PolarHBondContact OH-OG1 3.21Å; W992-T1009 HydrophobicContact CB-CG2 3.99Å; W992-T1009 VanDerWaalsContact CB-OG1 3.28Å; W992-T1009 WeakPolarHBondContact CB-OG1 3.29Å; W992-T1009 PolarHBondContact O-N 2.93Å; T994-T1009 HydrophobicContact CG2-CG2 3.59Å; T1009-F1011 VanDerWaalsContact C-N 3.32Å; T1009-F1042 HydrophobicContact CG2-CE2 4.22Å; T1009-F1042 HydrophobicContact CG2-CZ 4.49Å |
| 1010 | F | 91.2 | Very high | 92.8 | Very high | 5 Ų | 5 | 26.5 Ų | 26.5 | 2% | 0.022 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 14.9 | 177.4 | -57.3 | -70 | 0 | 0 | 0 | 112.1 | F128 Y129 D1008 N1012 H1038 E1116 C1118 | F128-F1010 HydrophobicContact CB-CD1 4.07Å; F128-F1010 HydrophobicContact CB-CE1 4.22Å; F128-F1010 HydrophobicContact CD1-CB 4.36Å; F128-F1010 AromaticContact CD1-CD1 3.69Å; F128-F1010 HydrophobicContact CD1-CD1 3.69Å; F128-F1010 AromaticContact CD2-CD1 3.25Å; F128-F1010 HydrophobicContact CD2-CD1 3.25Å; F128-F1010 AromaticContact CD2-CE1 3.41Å; F128-F1010 HydrophobicContact CD2-CE1 3.41Å; F128-F1010 VanDerWaalsContact CD2-CE1 3.41Å; F128-F1010 HydrophobicContact CE1-CB 4.01Å; F128-F1010 AromaticContact CE1-CD1 3.8Å; F128-F1010 HydrophobicContact CE1-CD1 3.8Å; F128-F1010 HydrophobicContact CE1-CG 4.4Å; F128-F1010 AromaticContact CE2-CD1 3.37Å; F128-F1010 HydrophobicContact CE2-CD1 3.37Å; F128-F1010 AromaticContact CE2-CE1 3.77Å; F128-F1010 HydrophobicContact CE2-CE1 3.77Å; F128-F1010 HydrophobicContact CE2-CG 4.37Å; F128-F1010 AromaticContact CG-CD1 3.4Å; F128-F1010 HydrophobicContact CG-CD1 3.4Å; F128-F1010 VanDerWaalsContact CG-CD1 3.4Å; F128-F1010 AromaticContact CG-CE1 3.84Å; F128-F1010 HydrophobicContact CG-CE1 3.84Å; F128-F1010 HydrophobicContact CZ-CB 4.21Å; F128-F1010 AromaticContact CZ-CD1 3.64Å; F128-F1010 HydrophobicContact CZ-CD1 3.64Å; F128-F1010 HydrophobicContact CZ-CE1 4.48Å; F128-F1010 HydrophobicContact CZ-CG 4.31Å; Y129-F1010 HydrophobicContact CE2-CE1 4.34Å; D1008-F1010 PolarHBondContact O-N 3.37Å; D1008-F1010 VanDerWaalsContact O-N 3.16Å; D1008-F1010 WeakPolarHBondContact OD1-CA 3.25Å; D1008-F1010 WeakPolarHBondContact OD1-CB 3.18Å; D1008-F1010 PolarHBondContact OD1-N 2.92Å; F1010-N1012 VanDerWaalsContact C-N 3.32Å; F1010-N1012 VanDerWaalsContact CB-ND2 3.33Å; F1010-N1012 WeakPolarHBondContact CB-ND2 3.15Å; F1010-N1012 PolarHBondContact O-N 2.77Å; F1010-H1038 PolarHBondContact O-CE1 2.85Å; F1010-H1038 PolarHBondContact O-ND1 3.11Å; F1010-E1116 WeakPolarHBondContact CB-O 3.32Å; F1010-C1118 WeakPolarHBondContact CE1-SG 3.33Å; F1010-C1118 HydrophobicContact CZ-CB 4.22Å; F1010-C1118 WeakPolarHBondContact CZ-SG 2.85Å |
| 1011 | F | 94.1 | Very high | 92.3 | Very high | 22 Ų | 22 | 31.7 Ų | 31.7 | 10% | 0.096 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 66.3 | 29.2 | 179.2 | -38.8 | -70.3 | 0 | 0 | 0 | 113.8 | L99 F128 D1008 T1009 L1039 G1040 F1042 | L99-F1011 HydrophobicContact CD2-CD2 3.96Å; L99-F1011 HydrophobicContact CD2-CE2 3.64Å; F128-F1011 HydrophobicContact CD1-CD2 4.43Å; F128-F1011 HydrophobicContact CD1-CE2 4.19Å; D1008-F1011 PolarHBondContact O-N 2.86Å; D1008-F1011 PolarHBondContact OD1-N 3.05Å; T1009-F1011 VanDerWaalsContact C-N 3.32Å; F1011-L1039 WeakPolarHBondContact O-CA 3.29Å; F1011-L1039 WeakPolarHBondContact O-CB 3.45Å; F1011-L1039 PolarHBondContact O-N 2.98Å; F1011-G1040 PolarHBondContact O-N 2.92Å; F1011-G1040 VanDerWaalsContact O-N 3.09Å; F1011-F1042 HydrophobicContact CD1-CB 4.03Å; F1011-F1042 HydrophobicContact CD1-CD2 4.35Å; F1011-F1042 HydrophobicContact CE1-CB 3.99Å; F1011-F1042 HydrophobicContact CE1-CD2 4.06Å |
| 1012 | N | 94.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.011 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 151.9 | -179.9 | -52 | -60.5 | 0 | 0 | 0 | 112.9 | A1007 D1008 F1010 F1037 H1038 F1115 E1116 | A1007-N1012 VanDerWaalsContact CA-O 3.29Å; A1007-N1012 WeakPolarHBondContact CA-O 3.48Å; D1008-N1012 PolarHBondContact N-O 3.03Å; D1008-N1012 VanDerWaalsContact N-O 3.1Å; D1008-N1012 VanDerWaalsContact OD1-CB 3.3Å; D1008-N1012 WeakPolarHBondContact OD1-CB 3.45Å; D1008-N1012 PolarHBondContact OD1-N 3.27Å; D1008-N1012 PolarHBondContact OD1-ND2 3.48Å; D1008-N1012 PolarHBondContact OD2-ND2 2.87Å; F1010-N1012 VanDerWaalsContact C-N 3.32Å; F1010-N1012 VanDerWaalsContact CB-ND2 3.33Å; F1010-N1012 WeakPolarHBondContact CB-ND2 3.15Å; F1010-N1012 PolarHBondContact O-N 2.77Å; N1012-F1037 CarbonylContact C-O 3.59Å; N1012-F1037 WeakPolarHBondContact CA-O 3.43Å; N1012-H1038 PolarHBondContact OD1-ND1 2.81Å; N1012-F1115 HydrophobicContact CB-CD2 3.49Å; N1012-F1115 VanDerWaalsContact CB-CD2 3.49Å; N1012-F1115 HydrophobicContact CB-CE2 3.35Å; N1012-F1115 HydrophobicContact CB-CG 4.5Å; N1012-F1115 HydrophobicContact CB-CZ 4.27Å; N1012-E1116 PolarHBondContact ND2-O 3.45Å |
| 1013 | F | 95.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 138.4 | 156.9 | -78.1 | -49.7 | 0 | 0 | 0 | 110.9 | V6 L1005 L1006 A1007 F1037 L1039 V1043 I1046 Y1069 V1079 F1127 | V6-F1013 HydrophobicContact CG1-CE2 4.45Å; L1005-F1013 HydrophobicContact CD1-CB 4.24Å; L1005-F1013 HydrophobicContact CD1-CD1 4.02Å; L1005-F1013 HydrophobicContact CD1-CG 4.25Å; L1005-F1013 HydrophobicContact CD2-CD1 4.41Å; L1005-F1013 HydrophobicContact CD2-CE1 4.3Å; L1005-F1013 HydrophobicContact CG-CD1 4.22Å; L1006-F1013 CarbonylContact O-C 3.55Å; L1006-F1013 WeakPolarHBondContact O-CA 3.25Å; A1007-F1013 HydrophobicContact CB-CD1 4.02Å; A1007-F1013 HydrophobicContact CB-CE1 3.93Å; F1013-F1037 HydrophobicContact CB-CB 4.45Å; F1013-F1037 HydrophobicContact CD2-CD1 4.29Å; F1013-F1037 PolarHBondContact N-O 3.16Å; F1013-F1037 PolarHBondContact O-N 3.13Å; F1013-F1037 VanDerWaalsContact O-N 3.08Å; F1013-L1039 HydrophobicContact CD2-CB 4.25Å; F1013-L1039 HydrophobicContact CD2-CD1 4.49Å; F1013-L1039 HydrophobicContact CD2-CD2 4.43Å; F1013-L1039 HydrophobicContact CE2-CB 4.36Å; F1013-L1039 HydrophobicContact CE2-CD1 4.07Å; F1013-L1039 HydrophobicContact CE2-CD2 3.75Å; F1013-L1039 HydrophobicContact CE2-CG 4.27Å; F1013-L1039 HydrophobicContact CZ-CD2 4.05Å; F1013-V1043 HydrophobicContact CE1-CG1 4.47Å; F1013-V1043 HydrophobicContact CE1-CG2 3.94Å; F1013-V1043 HydrophobicContact CZ-CG2 3.79Å; F1013-I1046 HydrophobicContact CE1-CD1 4.14Å; F1013-Y1069 HydrophobicContact CE2-CD1 4.2Å; F1013-Y1069 AromaticContact CE2-CE1 3.93Å; F1013-Y1069 HydrophobicContact CE2-CE1 3.93Å; F1013-Y1069 AromaticContact CZ-CD1 3.81Å; F1013-Y1069 HydrophobicContact CZ-CD1 3.81Å; F1013-Y1069 HydrophobicContact CZ-CD2 4.24Å; F1013-Y1069 HydrophobicContact CZ-CE1 4.01Å; F1013-Y1069 HydrophobicContact CZ-CE2 4.45Å; F1013-Y1069 AromaticContact CZ-CG 3.91Å; F1013-Y1069 HydrophobicContact CZ-CG 3.91Å; F1013-V1079 HydrophobicContact CE2-CG2 4.04Å; F1013-V1079 HydrophobicContact CZ-CG2 4.28Å; F1013-F1127 HydrophobicContact CB-CZ 4.23Å |
| 1014 | C | 94.3 | Very high | 89.1 | Confident | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.027 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 123.1 | 172.3 | -171.3 | 0 | 0 | 0 | 0 | 109.7 | L1006 C1016 A1033 F1115 | L1006-C1014 HydrophobicContact CB-CB 4.41Å; L1006-C1014 PolarHBondContact N-O 2.92Å; L1006-C1014 PolarHBondContact O-N 2.84Å; C1014-C1016 VanDerWaalsContact SG-SG 3.68Å; C1014-A1033 WeakPolarHBondContact SG-CB 3.14Å; C1014-F1115 HydrophobicContact CB-CE2 4.41Å |
| 1015 | Y | 94.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 124.5 | 176 | -175.8 | -92 | 0 | 0 | 0 | 109.7 | S2 N4 V999 E1003 S1034 G1035 Q1081 | S2-Y1015 WeakPolarHBondContact CB-OH 3.32Å; S2-Y1015 WeakPolarHBondContact OG-CE1 3.43Å; S2-Y1015 PolarHBondContact OG-OH 3.42Å; N4-Y1015 VanDerWaalsContact ND2-CD2 3.34Å; N4-Y1015 WeakPolarHBondContact ND2-CD2 3.26Å; V999-Y1015 HydrophobicContact CG1-CE2 4.48Å; V999-Y1015 HydrophobicContact CG2-CE2 3.97Å; E1003-Y1015 HydrophobicContact CB-CE2 4.48Å; E1003-Y1015 VanDerWaalsContact CB-OH 3.3Å; E1003-Y1015 WeakPolarHBondContact CB-OH 2.91Å; E1003-Y1015 WeakPolarHBondContact CG-OH 3.42Å; E1003-Y1015 PolarHBondContact OE1-OH 2.93Å; E1003-Y1015 PolarHBondContact OE2-OH 2.77Å; Y1015-S1034 WeakPolarHBondContact CD1-OG 3.02Å; Y1015-S1034 PolarHBondContact O-N 2.91Å; Y1015-G1035 PolarHBondContact N-O 2.87Å; Y1015-G1035 PolarHBondContact O-N 3.49Å; Y1015-Q1081 PolarHBondContact OH-NE2 2.86Å |
| 1016 | C | 94.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 144.1 | -172.7 | -62.7 | 0 | 0 | 0 | 0 | 111.6 | E1003 Y1004 C1014 I1031 K1032 | E1003-C1016 CarbonylContact C-O 3.45Å; E1003-C1016 WeakPolarHBondContact CA-O 3.42Å; Y1004-C1016 HydrophobicContact CD2-CB 4.32Å; Y1004-C1016 PolarHBondContact N-O 3.26Å; Y1004-C1016 PolarHBondContact O-N 2.83Å; C1014-C1016 VanDerWaalsContact SG-SG 3.68Å; C1016-I1031 HydrophobicContact CB-CG2 3.65Å; C1016-K1032 WeakPolarHBondContact CA-O 3.41Å |
| 1017 | E | 93.5 | Very high | 85.6 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 22% | 0.22 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 146.3 | 178.6 | 63.2 | -171.8 | 165 | 0 | 0 | 111.2 | R1002 E1003 S1019 K1032 S1034 R1126 | R1002-E1017 WeakPolarHBondContact O-CA 3.27Å; E1003-E1017 HydrophobicContact CG-CB 4.3Å; E1017-S1019 PolarHBondContact O-N 2.97Å; E1017-K1032 PolarHBondContact N-O 2.92Å; E1017-K1032 PolarHBondContact O-N 3.02Å; E1017-S1034 WeakPolarHBondContact OE1-CB 3.22Å; E1017-S1034 PolarHBondContact OE1-OG 3.09Å; E1017-R1126 IonicContact OE1-CZ 2.89Å; E1017-R1126 IonicContact OE1-NH1 2.78Å; E1017-R1126 PolarHBondContact OE1-NH1 3.15Å; E1017-R1126 IonicContact OE1-NH2 2.76Å; E1017-R1126 IonicContact OE2-NH1 2.77Å |
| 1018 | C | 92.5 | Very high | 85 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 16% | 0.155 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 124.1 | 171 | -76 | 0 | 0 | 0 | 0 | 110.4 | R1002 Y1004 G1020 | R1002-C1018 HydrophobicContact CB-CB 4.37Å; R1002-C1018 PolarHBondContact O-N 2.85Å; Y1004-C1018 PolarHBondContact OH-SG 3.48Å; C1018-G1020 PolarHBondContact O-N 2.61Å |
| 1019 | S | 86.1 | Confident | 84.9 | Confident | 45 Ų | 45 | 48.9 Ų | 48.9 | 32% | 0.315 | 27% | 0.27 | S | S | . | . | trans | -74.8 | -11.7 | -178.7 | 69 | 0 | 0 | 0 | 0 | 114.1 | E1017 K1021 L1030 | E1017-S1019 PolarHBondContact O-N 2.97Å; S1019-K1021 PolarHBondContact O-N 2.97Å; S1019-K1021 PolarHBondContact OG-N 3.48Å; S1019-L1030 VanDerWaalsContact CB-O 3.3Å; S1019-L1030 WeakPolarHBondContact CB-O 3.49Å; S1019-L1030 PolarHBondContact N-O 2.85Å; S1019-L1030 PolarHBondContact OG-O 2.92Å | ||
| 1020 | G | 82.3 | Confident | 85 | Confident | 46 Ų | 46 | 50.3 Ų | 50.3 | 47% | 0.474 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 69.3 | 1.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | C1018 E1029 | C1018-G1020 PolarHBondContact O-N 2.61Å; G1020-E1029 WeakPolarHBondContact CA-OE2 3.29Å |
| 1021 | K | 79.3 | Confident | 85.1 | Confident | 157 Ų | 157 | 50.1 Ų | 50.1 | 68% | 0.683 | 28% | 0.276 | S | S | * | . | P | Polyproline II helix | trans | -97.6 | 130.8 | 175.7 | -64.6 | -178.7 | 179.7 | 179.5 | 0 | 109.1 | S1019 E1029 L1030 | S1019-K1021 PolarHBondContact O-N 2.97Å; S1019-K1021 PolarHBondContact OG-N 3.48Å; K1021-E1029 CarbonylContact O-C 3.53Å; K1021-E1029 WeakPolarHBondContact O-CA 3.32Å; K1021-L1030 PolarHBondContact O-N 2.85Å |
| 1022 | R | 77.4 | Confident | 84.9 | Confident | 179 Ų | 179 | 55.3 Ų | 55.3 | 68% | 0.675 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -93.5 | 122.2 | 175 | -65 | 175.4 | 179.6 | -163.7 | 1 | 109.8 | G1027 G1028 E1029 | R1022-G1027 WeakPolarHBondContact CD-O 3.12Å; R1022-G1027 WeakPolarHBondContact CG-O 3.34Å; R1022-G1028 VanDerWaalsContact CA-O 3.27Å; R1022-G1028 WeakPolarHBondContact CA-O 3.16Å; R1022-E1029 HydrophobicContact CG-CG 4.07Å |
| 1023 | P | 71.2 | Confident | 84.8 | Confident | 34 Ų | 34 | 55.7 Ų | 55.7 | 22% | 0.221 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 143.6 | 168.7 | 17.7 | -3.5 | 0 | 0 | 0 | 109.2 | Y988 G1027 G1028 L1030 | Y988-P1023 HydrophobicContact CE2-CG 3.8Å; P1023-G1027 PolarHBondContact O-N 3.41Å; P1023-G1028 WeakPolarHBondContact CD-O 3.27Å; P1023-L1030 HydrophobicContact CG-CB 4.44Å |
| 1024 | I | 61.7 | Low | 84.6 | Confident | 173 Ų | 173 | 56.2 Ų | 56.2 | 89% | 0.887 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -31.3 | -174.6 | -57.6 | 166.1 | 0 | 0 | 0 | 114.2 | ||
| 1025 | P | 66.6 | Low | 84.6 | Confident | 106 Ų | 106 | 56 Ų | 56 | 69% | 0.688 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -42.1 | -174.9 | -19.9 | 32.7 | 0 | 0 | 0 | 115.3 | ||
| 1026 | D | 69.9 | Low | 84.7 | Confident | 82 Ų | 82 | 57.5 Ų | 57.5 | 44% | 0.439 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | -3.3 | -164.1 | -56.2 | -33 | 0 | 0 | 0 | 114.2 | L983 Y988 G1028 | L983-D1026 HydrophobicContact CD2-CB 3.64Å; Y988-D1026 PolarHBondContact OH-OD2 3.39Å; D1026-G1028 PolarHBondContact O-N 2.9Å |
| 1027 | G | 76.2 | Confident | 84.7 | Confident | 41 Ų | 41 | 57.5 Ų | 57.5 | 42% | 0.423 | 31% | 0.31 | S | S | . | . | trans | 74.1 | -18.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | R1022 P1023 | R1022-G1027 WeakPolarHBondContact CD-O 3.12Å; R1022-G1027 WeakPolarHBondContact CG-O 3.34Å; P1023-G1027 PolarHBondContact O-N 3.41Å | ||
| 1028 | G | 84.8 | Confident | 84.8 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -68.4 | 168.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I984 R1022 P1023 D1026 | I984-G1028 CarbonylContact O-C 3.59Å; I984-G1028 WeakPolarHBondContact O-CA 3.44Å; R1022-G1028 VanDerWaalsContact CA-O 3.27Å; R1022-G1028 WeakPolarHBondContact CA-O 3.16Å; P1023-G1028 WeakPolarHBondContact CD-O 3.27Å; D1026-G1028 PolarHBondContact O-N 2.9Å |
| 1029 | E | 91.4 | Very high | 84.9 | Confident | 33 Ų | 33 | 54.6 Ų | 54.6 | 15% | 0.154 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 145.6 | 172.8 | -66.5 | -175.2 | -171.7 | 0 | 0 | 112.1 | I984 A985 K986 G1020 K1021 R1022 | I984-E1029 PolarHBondContact O-N 2.83Å; A985-E1029 CarbonylContact C-O 3.59Å; A985-E1029 WeakPolarHBondContact CA-O 3.19Å; A985-E1029 HydrophobicContact CB-CB 4.09Å; A985-E1029 WeakPolarHBondContact CB-O 3.25Å; K986-E1029 PolarHBondContact N-O 3.36Å; G1020-E1029 WeakPolarHBondContact CA-OE2 3.29Å; K1021-E1029 CarbonylContact O-C 3.53Å; K1021-E1029 WeakPolarHBondContact O-CA 3.32Å; R1022-E1029 HydrophobicContact CG-CG 4.07Å |
| 1030 | L | 92.7 | Very high | 85.3 | Confident | 55 Ų | 55 | 52.5 Ų | 52.5 | 29% | 0.288 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 127 | 173.2 | 176.8 | 69.9 | 0 | 0 | 0 | 109.9 | Y988 S1019 K1021 P1023 | Y988-L1030 HydrophobicContact CD2-CD1 3.67Å; Y988-L1030 HydrophobicContact CE2-CD1 4.28Å; S1019-L1030 VanDerWaalsContact CB-O 3.3Å; S1019-L1030 WeakPolarHBondContact CB-O 3.49Å; S1019-L1030 PolarHBondContact N-O 2.85Å; S1019-L1030 PolarHBondContact OG-O 2.92Å; K1021-L1030 PolarHBondContact O-N 2.85Å; P1023-L1030 HydrophobicContact CG-CB 4.44Å |
| 1031 | I | 93.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 134.7 | 169.9 | -58.9 | 175.1 | 0 | 0 | 0 | 108.8 | I969 I971 A985 K986 D987 Y1004 C1016 | I969-I1031 HydrophobicContact CD1-CD1 3.7Å; I969-I1031 HydrophobicContact CD1-CG2 4.33Å; I969-I1031 HydrophobicContact CG1-CD1 3.89Å; I971-I1031 HydrophobicContact CG1-CD1 3.87Å; A985-I1031 HydrophobicContact CB-CD1 3.88Å; A985-I1031 HydrophobicContact CB-CG1 3.78Å; K986-I1031 PolarHBondContact O-N 2.84Å; D987-I1031 HydrophobicContact CB-CB 4.01Å; D987-I1031 HydrophobicContact CB-CG2 4.25Å; Y1004-I1031 HydrophobicContact CD2-CD1 4.27Å; Y1004-I1031 HydrophobicContact CD2-CG2 4.1Å; Y1004-I1031 HydrophobicContact CE2-CD1 3.84Å; Y1004-I1031 HydrophobicContact CE2-CG1 4.13Å; Y1004-I1031 HydrophobicContact CE2-CG2 4.3Å; C1016-I1031 HydrophobicContact CB-CG2 3.65Å |
| 1032 | K | 91.4 | Very high | 86.6 | Confident | 130 Ų | 130 | 46.1 Ų | 46.1 | 57% | 0.565 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 133.1 | 179.1 | -168.5 | -170.5 | 169.7 | -173.7 | 0 | 110.7 | C1016 E1017 | C1016-K1032 WeakPolarHBondContact CA-O 3.41Å; E1017-K1032 PolarHBondContact N-O 2.92Å; E1017-K1032 PolarHBondContact O-N 3.02Å |
| 1033 | A | 91.6 | Very high | 87.5 | Confident | 11 Ų | 11 | 37.8 Ų | 37.8 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 132.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | C1014 Y1036 | C1014-A1033 WeakPolarHBondContact SG-CB 3.14Å; A1033-Y1036 HydrophobicContact CB-CE1 4.01Å; A1033-Y1036 WeakPolarHBondContact CB-OH 3.28Å |
| 1034 | S | 91.9 | Very high | 88.7 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 7% | 0.07 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | -10.9 | -176.8 | 67.6 | 0 | 0 | 0 | 0 | 114.1 | Y1015 E1017 R1126 | Y1015-S1034 WeakPolarHBondContact CD1-OG 3.02Å; Y1015-S1034 PolarHBondContact O-N 2.91Å; E1017-S1034 WeakPolarHBondContact OE1-CB 3.22Å; E1017-S1034 PolarHBondContact OE1-OG 3.09Å; S1034-R1126 WeakPolarHBondContact O-CD 3.1Å; S1034-R1126 WeakPolarHBondContact O-CG 3.21Å; S1034-R1126 PolarHBondContact O-NE 3.31Å; S1034-R1126 PolarHBondContact OG-NH1 3.4Å |
| 1035 | G | 93.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 144.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y1015 E1125 | Y1015-G1035 PolarHBondContact N-O 2.87Å; Y1015-G1035 PolarHBondContact O-N 3.49Å; G1035-E1125 VanDerWaalsContact CA-O 3.25Å; G1035-E1125 WeakPolarHBondContact CA-O 3.33Å |
| 1036 | Y | 95.5 | Very high | 91.6 | Very high | 31 Ų | 31 | 26 Ų | 26 | 12% | 0.122 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 129.1 | -172.6 | -62.9 | -81.3 | 0 | 0 | 0 | 109.8 | A1033 F1115 H1122 V1124 E1125 | A1033-Y1036 HydrophobicContact CB-CE1 4.01Å; A1033-Y1036 WeakPolarHBondContact CB-OH 3.28Å; Y1036-F1115 HydrophobicContact CD1-CB 4.36Å; Y1036-F1115 HydrophobicContact CD1-CD1 4.02Å; Y1036-F1115 AromaticContact CD1-CD2 3.79Å; Y1036-F1115 HydrophobicContact CD1-CD2 3.79Å; Y1036-F1115 HydrophobicContact CD1-CE1 4.29Å; Y1036-F1115 HydrophobicContact CD1-CE2 4.06Å; Y1036-F1115 AromaticContact CD1-CG 3.79Å; Y1036-F1115 HydrophobicContact CD1-CG 3.79Å; Y1036-F1115 HydrophobicContact CD1-CZ 4.32Å; Y1036-F1115 HydrophobicContact CG-CB 4.44Å; Y1036-F1115 HydrophobicContact CG-CD2 4.46Å; Y1036-F1115 HydrophobicContact CG-CG 4.34Å; Y1036-H1122 HydrophobicContact CD1-CB 4.1Å; Y1036-H1122 AromaticContact CD1-CD2 3.86Å; Y1036-H1122 HydrophobicContact CD2-CB 3.82Å; Y1036-H1122 AromaticContact CD2-CG 3.8Å; Y1036-H1122 AromaticContact CE1-CD2 3.54Å; Y1036-H1122 AromaticContact CE1-CG 4Å; Y1036-H1122 AromaticContact CE1-NE2 3.93Å; Y1036-H1122 HydrophobicContact CE2-CB 4.33Å; Y1036-H1122 AromaticContact CE2-CE1 3.99Å; Y1036-H1122 AromaticContact CE2-CG 3.79Å; Y1036-H1122 AromaticContact CE2-ND1 3.74Å; Y1036-H1122 HydrophobicContact CG-CB 3.69Å; Y1036-H1122 AromaticContact CG-CG 3.92Å; Y1036-H1122 AromaticContact CZ-CD2 3.65Å; Y1036-H1122 AromaticContact CZ-CE1 3.87Å; Y1036-H1122 AromaticContact CZ-CG 3.88Å; Y1036-H1122 AromaticContact CZ-ND1 3.99Å; Y1036-H1122 AromaticContact CZ-NE2 3.67Å; Y1036-V1124 WeakPolarHBondContact O-CA 3.48Å; Y1036-E1125 HydrophobicContact CD2-CB 4.27Å; Y1036-E1125 PolarHBondContact N-O 2.81Å; Y1036-E1125 PolarHBondContact O-N 3.32Å |
| 1037 | F | 95.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 133 | 179.4 | -177.2 | -98.5 | 0 | 0 | 0 | 111.2 | V6 N1012 F1013 L1039 R1113 V1124 F1127 D1129 | V6-F1037 HydrophobicContact CB-CE1 4.4Å; V6-F1037 HydrophobicContact CG1-CE1 4.04Å; V6-F1037 HydrophobicContact CG1-CZ 4.45Å; N1012-F1037 CarbonylContact C-O 3.59Å; N1012-F1037 WeakPolarHBondContact CA-O 3.43Å; F1013-F1037 HydrophobicContact CB-CB 4.45Å; F1013-F1037 HydrophobicContact CD2-CD1 4.29Å; F1013-F1037 PolarHBondContact N-O 3.16Å; F1013-F1037 PolarHBondContact O-N 3.13Å; F1013-F1037 VanDerWaalsContact O-N 3.08Å; F1037-L1039 HydrophobicContact CD1-CB 4.48Å; F1037-L1039 HydrophobicContact CE1-CB 4.39Å; F1037-L1039 HydrophobicContact CE1-CD1 4.14Å; F1037-R1113 HydrophobicContact CD2-CB 4.31Å; F1037-R1113 HydrophobicContact CE2-CB 4.08Å; F1037-R1113 HydrophobicContact CE2-CG 3.87Å; F1037-R1113 VanDerWaalsContact CZ-CD 3.48Å; F1037-R1113 HydrophobicContact CZ-CG 4.26Å; F1037-V1124 HydrophobicContact CD2-CG2 3.83Å; F1037-F1127 HydrophobicContact CB-CB 3.92Å; F1037-F1127 HydrophobicContact CB-CD1 4.08Å; F1037-F1127 HydrophobicContact CB-CD2 3.56Å; F1037-F1127 HydrophobicContact CB-CE1 4.5Å; F1037-F1127 HydrophobicContact CB-CE2 4.04Å; F1037-F1127 HydrophobicContact CB-CG 3.59Å; F1037-F1127 HydrophobicContact CB-CZ 4.48Å; F1037-F1127 HydrophobicContact CD2-CB 3.63Å; F1037-F1127 HydrophobicContact CD2-CG 4.17Å; F1037-F1127 HydrophobicContact CE2-CB 4.42Å; F1037-F1127 HydrophobicContact CG-CB 4.04Å; F1037-F1127 HydrophobicContact CG-CD1 4.3Å; F1037-F1127 HydrophobicContact CG-CD2 4.5Å; F1037-F1127 HydrophobicContact CG-CG 4.05Å; F1037-D1129 HydrophobicContact CE2-CB 4.31Å |
| 1038 | H | 95.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 112.1 | 171 | -174.5 | 78 | 0 | 0 | 0 | 110.5 | F1010 N1012 W1112 R1113 A1114 | F1010-H1038 PolarHBondContact O-CE1 2.85Å; F1010-H1038 PolarHBondContact O-ND1 3.11Å; N1012-H1038 PolarHBondContact OD1-ND1 2.81Å; H1038-W1112 AromaticContact CD2-CE3 3.92Å; H1038-W1112 AromaticContact CD2-CZ3 3.69Å; H1038-W1112 PolarHBondContact CD2-O 3.28Å; H1038-W1112 AromaticContact NE2-CZ3 3.62Å; H1038-R1113 PolarHBondContact N-O 3.45Å; H1038-R1113 WeakPolarHBondContact O-CD 3.5Å; H1038-R1113 PolarHBondContact O-NH1 3.12Å; H1038-R1113 VanDerWaalsContact O-NH1 3.14Å; H1038-A1114 VanDerWaalsContact CB-O 3.29Å; H1038-A1114 WeakPolarHBondContact CB-O 3.38Å |
| 1039 | L | 95.2 | Very high | 93.2 | Very high | 7 Ų | 7 | 27.8 Ų | 27.8 | 4% | 0.037 | 13% | 0.131 | C | C | . | . | trans | -76.2 | -42 | 179.2 | -178.7 | 67.8 | 0 | 0 | 0 | 111.1 | V6 F1011 F1013 F1037 E1041 V1043 Y1069 R1113 | V6-L1039 HydrophobicContact CG1-CD1 4.24Å; F1011-L1039 WeakPolarHBondContact O-CA 3.29Å; F1011-L1039 WeakPolarHBondContact O-CB 3.45Å; F1011-L1039 PolarHBondContact O-N 2.98Å; F1013-L1039 HydrophobicContact CD2-CB 4.25Å; F1013-L1039 HydrophobicContact CD2-CD1 4.49Å; F1013-L1039 HydrophobicContact CD2-CD2 4.43Å; F1013-L1039 HydrophobicContact CE2-CB 4.36Å; F1013-L1039 HydrophobicContact CE2-CD1 4.07Å; F1013-L1039 HydrophobicContact CE2-CD2 3.75Å; F1013-L1039 HydrophobicContact CE2-CG 4.27Å; F1013-L1039 HydrophobicContact CZ-CD2 4.05Å; F1037-L1039 HydrophobicContact CD1-CB 4.48Å; F1037-L1039 HydrophobicContact CE1-CB 4.39Å; F1037-L1039 HydrophobicContact CE1-CD1 4.14Å; L1039-E1041 HydrophobicContact CD2-CB 4.15Å; L1039-E1041 HydrophobicContact CG-CB 4.32Å; L1039-V1043 HydrophobicContact CD2-CG2 3.46Å; L1039-V1043 VanDerWaalsContact CD2-CG2 3.46Å; L1039-Y1069 HydrophobicContact CD1-CE2 4.33Å; L1039-Y1069 WeakPolarHBondContact CD1-OH 3.14Å; L1039-Y1069 HydrophobicContact CD2-CD2 4.37Å; L1039-Y1069 HydrophobicContact CD2-CE2 3.77Å; L1039-R1113 PolarHBondContact O-NH1 2.77Å | ||
| 1040 | G | 92.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | trans | 88.8 | 1.7 | -177 | 0 | 0 | 0 | 0 | 0 | 115.3 | R60 F1011 W1112 | R60-G1040 PolarHBondContact NH1-O 3.11Å; F1011-G1040 PolarHBondContact O-N 2.92Å; F1011-G1040 VanDerWaalsContact O-N 3.09Å; G1040-W1112 VanDerWaalsContact CA-CH2 3.46Å | ||
| 1041 | E | 93.7 | Very high | 91.4 | Very high | 10 Ų | 10 | 25.5 Ų | 25.5 | 5% | 0.047 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -128.9 | 155.7 | 178.4 | -67.4 | -179.8 | 162.7 | 0 | 0 | 110.9 | S12 T36 L1039 T1071 S1075 | S12-E1041 WeakPolarHBondContact CB-OE1 3.45Å; T36-E1041 HydrophobicContact CG2-CG 4.17Å; L1039-E1041 HydrophobicContact CD2-CB 4.15Å; L1039-E1041 HydrophobicContact CG-CB 4.32Å; E1041-T1071 HydrophobicContact CB-CG2 3.87Å; E1041-S1075 VanDerWaalsContact OE2-CB 3.27Å; E1041-S1075 WeakPolarHBondContact OE2-CB 3.24Å; E1041-S1075 PolarHBondContact OE2-OG 2.86Å |
| 1042 | F | 95.1 | Very high | 90.2 | Very high | 59 Ų | 59 | 26.9 Ų | 26.9 | 26% | 0.259 | 13% | 0.126 | S | C | . | . | trans | -91.8 | 107.5 | -175.7 | -167.1 | -80.2 | 0 | 0 | 0 | 110 | T994 T1009 F1011 N1044 T1071 A1072 E1073 | T994-F1042 HydrophobicContact CG2-CD2 4.41Å; T994-F1042 HydrophobicContact CG2-CE1 3.76Å; T994-F1042 HydrophobicContact CG2-CE2 3.65Å; T994-F1042 HydrophobicContact CG2-CZ 3.28Å; T1009-F1042 HydrophobicContact CG2-CE2 4.22Å; T1009-F1042 HydrophobicContact CG2-CZ 4.49Å; F1011-F1042 HydrophobicContact CD1-CB 4.03Å; F1011-F1042 HydrophobicContact CD1-CD2 4.35Å; F1011-F1042 HydrophobicContact CE1-CB 3.99Å; F1011-F1042 HydrophobicContact CE1-CD2 4.06Å; F1042-N1044 WeakPolarHBondContact CD1-OD1 3.08Å; F1042-N1044 VanDerWaalsContact CE1-OD1 3.27Å; F1042-N1044 WeakPolarHBondContact CE1-OD1 3.25Å; F1042-T1071 CarbonylContact O-C 3.55Å; F1042-T1071 WeakPolarHBondContact O-CA 3.4Å; F1042-T1071 VanDerWaalsContact O-CB 3.31Å; F1042-T1071 WeakPolarHBondContact O-CB 3.43Å; F1042-A1072 HydrophobicContact CB-CB 4Å; F1042-A1072 HydrophobicContact CD1-CB 4.23Å; F1042-A1072 HydrophobicContact CG-CB 4.47Å; F1042-A1072 PolarHBondContact O-N 2.84Å; F1042-E1073 PolarHBondContact N-OE2 3.36Å | ||
| 1043 | V | 97.3 | Very high | 88.5 | Confident | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.024 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 119.9 | -176.5 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | T994 A995 A1007 F1013 L1039 I1046 Y1069 T1071 | T994-V1043 CarbonylContact C-O 3.59Å; T994-V1043 WeakPolarHBondContact CB-O 3.46Å; T994-V1043 PolarHBondContact OG1-O 3.07Å; A995-V1043 HydrophobicContact CB-CG1 3.93Å; A1007-V1043 HydrophobicContact CB-CB 3.73Å; A1007-V1043 HydrophobicContact CB-CG1 4.19Å; A1007-V1043 HydrophobicContact CB-CG2 4.15Å; F1013-V1043 HydrophobicContact CE1-CG1 4.47Å; F1013-V1043 HydrophobicContact CE1-CG2 3.94Å; F1013-V1043 HydrophobicContact CZ-CG2 3.79Å; L1039-V1043 HydrophobicContact CD2-CG2 3.46Å; L1039-V1043 VanDerWaalsContact CD2-CG2 3.46Å; V1043-I1046 HydrophobicContact CG1-CD1 4.24Å; V1043-I1046 HydrophobicContact CG1-CG1 3.79Å; V1043-Y1069 HydrophobicContact CG2-CD2 4.21Å; V1043-T1071 HydrophobicContact CG2-CG2 4.3Å |
| 1044 | N | 95.7 | Very high | 86.7 | Confident | 47 Ų | 47 | 28.3 Ų | 28.3 | 25% | 0.251 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -35 | 178.9 | -79.3 | -26.3 | 0 | 0 | 0 | 112.9 | I369 F1042 G1070 | I369-N1044 WeakPolarHBondContact O-CB 3.44Å; I369-N1044 PolarHBondContact O-ND2 3.4Å; F1042-N1044 WeakPolarHBondContact CD1-OD1 3.08Å; F1042-N1044 VanDerWaalsContact CE1-OD1 3.27Å; F1042-N1044 WeakPolarHBondContact CE1-OD1 3.25Å; N1044-G1070 PolarHBondContact N-O 2.9Å |
| 1045 | C | 94.6 | Very high | 84.8 | Confident | 12 Ų | 12 | 31.7 Ų | 31.7 | 8% | 0.081 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 148.2 | -175.5 | 57.3 | 0 | 0 | 0 | 0 | 111.4 | M372 Y1069 G1070 | M372-C1045 HydrophobicContact CE-CB 4.31Å; M372-C1045 HydrophobicContact CG-CB 4.42Å; C1045-Y1069 VanDerWaalsContact O-CA 3.27Å; C1045-Y1069 WeakPolarHBondContact O-CA 3.5Å; C1045-G1070 PolarHBondContact N-O 3.11Å; C1045-G1070 PolarHBondContact O-N 2.97Å |
| 1046 | I | 95.6 | Very high | 82.6 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 124.4 | 175.7 | -55.8 | 171.3 | 0 | 0 | 0 | 107.6 | A995 A997 L1005 F1013 V1043 M1067 V1068 | A995-I1046 HydrophobicContact CB-CD1 3.79Å; A995-I1046 HydrophobicContact CB-CG1 3.8Å; A997-I1046 HydrophobicContact CB-CB 4.01Å; A997-I1046 HydrophobicContact CB-CD1 4.43Å; A997-I1046 HydrophobicContact CB-CG2 3.56Å; L1005-I1046 HydrophobicContact CD2-CD1 4.38Å; F1013-I1046 HydrophobicContact CE1-CD1 4.14Å; V1043-I1046 HydrophobicContact CG1-CD1 4.24Å; V1043-I1046 HydrophobicContact CG1-CG1 3.79Å; I1046-M1067 HydrophobicContact CG2-CB 3.9Å; I1046-V1068 CarbonylContact C-O 3.55Å; I1046-V1068 VanDerWaalsContact CA-O 3.31Å; I1046-V1068 WeakPolarHBondContact CA-O 3.33Å |
| 1047 | E | 92 | Very high | 80.5 | Confident | 53 Ų | 53 | 44.5 Ų | 44.5 | 25% | 0.248 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 144.3 | 177.4 | -68.1 | -56 | 139.8 | 0 | 0 | 111.1 | M372 K954 M1067 V1068 | M372-E1047 HydrophobicContact CE-CB 3.77Å; M372-E1047 HydrophobicContact CE-CG 3.77Å; M372-E1047 VanDerWaalsContact CE-N 3.31Å; M372-E1047 HydrophobicContact CG-CG 3.83Å; K954-E1047 IonicContact NZ-OE1 2.65Å; K954-E1047 PolarHBondContact NZ-OE1 3.21Å; K954-E1047 IonicContact NZ-OE2 3.58Å; E1047-M1067 CarbonylContact O-C 3.59Å; E1047-M1067 WeakPolarHBondContact O-CA 3.38Å; E1047-V1068 PolarHBondContact N-O 2.9Å; E1047-V1068 PolarHBondContact O-N 2.63Å |
| 1048 | R | 88.9 | Confident | 78.7 | Confident | 105 Ų | 105 | 45.4 Ų | 45.4 | 40% | 0.396 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 121.5 | -177.5 | -170.9 | 176.9 | 179.7 | -141.3 | 7.3 | 110.3 | R956 P1065 | R956-R1048 VanDerWaalsContact NH1-CZ 3.31Å; R956-R1048 VanDerWaalsContact NH1-NH1 3.14Å; R1048-P1065 HydrophobicContact CG-CB 4.07Å; R1048-P1065 VanDerWaalsContact NH2-CD 3.33Å |
| 1049 | G | 81.9 | Confident | 77 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 7% | 0.072 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 160.7 | -175.1 | 172 | 0 | 0 | 0 | 0 | 0 | 114 | P1066 | G1049-P1066 PolarHBondContact N-O 3.08Å; G1049-P1066 WeakPolarHBondContact O-CG 3.3Å; G1049-P1066 VanDerWaalsContact O-O 3.07Å |
| 1050 | W | 75.5 | Confident | 75.7 | Confident | 36 Ų | 36 | 49 Ų | 49 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | trans | -101.7 | 142.2 | -176.5 | -61.8 | 84.1 | 0 | 0 | 0 | 109.4 | K383 Q1054 P1062 P1066 | K383-W1050 WeakPolarHBondContact CB-O 3.46Å; K383-W1050 HydrophobicContact CD-CB 4.04Å; K383-W1050 WeakPolarHBondContact CD-O 3.41Å; W1050-Q1054 HydrophobicContact CD2-CG 4.04Å; W1050-Q1054 HydrophobicContact CE3-CG 3.97Å; W1050-Q1054 HydrophobicContact CH2-CG 4.09Å; W1050-Q1054 HydrophobicContact CZ2-CG 4.19Å; W1050-Q1054 HydrophobicContact CZ3-CG 3.98Å; W1050-P1062 HydrophobicContact CH2-CB 3.95Å; W1050-P1062 HydrophobicContact CH2-CG 3.58Å; W1050-P1062 HydrophobicContact CZ2-CB 4.47Å; W1050-P1062 HydrophobicContact CZ3-CG 4.11Å; W1050-P1066 VanDerWaalsContact CD2-CD 3.48Å; W1050-P1066 HydrophobicContact CD2-CG 3.64Å; W1050-P1066 HydrophobicContact CE3-CG 3.64Å; W1050-P1066 HydrophobicContact CG-CG 4.17Å; W1050-P1066 HydrophobicContact CH2-CG 4.18Å; W1050-P1066 HydrophobicContact CZ2-CG 4.15Å; W1050-P1066 HydrophobicContact CZ3-CG 3.92Å | ||
| 1051 | I | 72.1 | Confident | 74.7 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -93.6 | -42.6 | 168.9 | -51.6 | 178.2 | 0 | 0 | 0 | 109.1 | I385 L738 V1068 V1078 | I385-I1051 HydrophobicContact CD1-CD1 3.61Å; I385-I1051 HydrophobicContact CD1-CG1 3.84Å; I385-I1051 HydrophobicContact CG1-CG1 4.49Å; L738-I1051 HydrophobicContact CD2-CG2 3.65Å; I1051-V1068 HydrophobicContact CD1-CG1 4.04Å; I1051-V1068 HydrophobicContact CD1-CG2 3.79Å; I1051-V1068 HydrophobicContact CG1-CG2 3.68Å; I1051-V1078 HydrophobicContact CD1-CG2 4Å |
| 1052 | V | 67.2 | Low | 73.9 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -103.1 | 148.6 | -176.6 | -171.1 | 0 | 0 | 0 | 0 | 111 | H1180 | V1052-H1180 WeakPolarHBondContact CG2-O 3.3Å; V1052-H1180 WeakPolarHBondContact CG2-OXT 3.43Å |
| 1053 | L | 55.6 | Low | 73.3 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 39% | 0.387 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 133.6 | 171.8 | -87.7 | 147.7 | 0 | 0 | 0 | 111.4 | E381 N1055 | E381-L1053 HydrophobicContact CB-CD2 3.46Å; E381-L1053 VanDerWaalsContact CB-CD2 3.46Å; E381-L1053 HydrophobicContact CB-CG 4.39Å; E381-L1053 HydrophobicContact CG-CD2 4.46Å; E381-L1053 WeakPolarHBondContact OE2-CD2 3.26Å; L1053-N1055 PolarHBondContact O-N 2.79Å |
| 1054 | Q | 54.2 | Low | 72.5 | Confident | 96 Ų | 96 | 57.2 Ų | 57.2 | 45% | 0.449 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 126.1 | 178.7 | -78.6 | -172.2 | -7.1 | 0 | 0 | 111.6 | W1050 F1056 | W1050-Q1054 HydrophobicContact CD2-CG 4.04Å; W1050-Q1054 HydrophobicContact CE3-CG 3.97Å; W1050-Q1054 HydrophobicContact CH2-CG 4.09Å; W1050-Q1054 HydrophobicContact CZ2-CG 4.19Å; W1050-Q1054 HydrophobicContact CZ3-CG 3.98Å; Q1054-F1056 PolarHBondContact O-N 2.85Å |
| 1055 | N | 52.9 | Low | 71.9 | Confident | 81 Ų | 81 | 57.1 Ų | 57.1 | 43% | 0.433 | 28% | 0.28 | S | S | . | . | trans | -80.3 | 105.8 | 164.9 | -111 | -34.2 | 0 | 0 | 0 | 110 | L1053 K1057 A1058 | L1053-N1055 PolarHBondContact O-N 2.79Å; N1055-K1057 PolarHBondContact O-N 2.89Å; N1055-A1058 PolarHBondContact O-N 2.72Å | ||
| 1056 | F | 47.9 | Very low | 71.6 | Confident | 144 Ų | 144 | 56.6 Ų | 56.6 | 63% | 0.632 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -15.8 | -175.8 | -68.7 | -83.2 | 0 | 0 | 0 | 114.6 | Q1054 K1061 | Q1054-F1056 PolarHBondContact O-N 2.85Å; F1056-K1061 WeakPolarHBondContact O-CE 3.14Å; F1056-K1061 PolarHBondContact O-NZ 2.79Å |
| 1057 | K | 50.4 | Low | 71.5 | Confident | 157 Ų | 157 | 56.3 Ų | 56.3 | 68% | 0.683 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 2 | 179.1 | -76.4 | -175.4 | 177.8 | 175.8 | 0 | 115.5 | N1055 L1059 | N1055-K1057 PolarHBondContact O-N 2.89Å; K1057-L1059 PolarHBondContact O-N 2.9Å |
| 1058 | A | 59.2 | Low | 71.6 | Confident | 20 Ų | 20 | 53.9 Ų | 53.9 | 17% | 0.165 | 26% | 0.264 | C | S | . | . | trans | -58.7 | 135.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N1055 K1061 D1175 | N1055-A1058 PolarHBondContact O-N 2.72Å; A1058-K1061 HydrophobicContact CB-CG 4.05Å; A1058-K1061 WeakPolarHBondContact O-CE 3.31Å; A1058-D1175 VanDerWaalsContact CA-OD2 3.25Å; A1058-D1175 WeakPolarHBondContact CA-OD2 3.5Å; A1058-D1175 HydrophobicContact CB-CB 4.04Å | ||
| 1059 | L | 59.7 | Low | 71.9 | Confident | 82 Ų | 82 | 48.9 Ų | 48.9 | 43% | 0.429 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -69 | -39.8 | 176.6 | -137.3 | 100.4 | 0 | 0 | 0 | 110.5 | K1057 E1171 I1172 D1175 | K1057-L1059 PolarHBondContact O-N 2.9Å; L1059-E1171 HydrophobicContact CB-CG 4.44Å; L1059-I1172 HydrophobicContact CD2-CD1 4.34Å; L1059-I1172 HydrophobicContact CD2-CG1 4Å; L1059-D1175 PolarHBondContact N-OD2 3.25Å |
| 1060 | C | 67 | Low | 72.6 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -109.3 | 111.6 | 174.4 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | H1086 I1172 | C1060-H1086 PolarHBondContact SG-ND1 2.89Å; C1060-H1086 VanDerWaalsContact SG-ND1 3.36Å; C1060-I1172 HydrophobicContact CB-CB 4.32Å; C1060-I1172 HydrophobicContact CB-CG1 4.28Å; C1060-I1172 HydrophobicContact CB-CG2 3.84Å |
| 1061 | K | 73.1 | Confident | 73.6 | Confident | 101 Ų | 101 | 46.9 Ų | 46.9 | 44% | 0.439 | 24% | 0.236 | S | C | . | . | trans | -111.3 | 140.2 | 174.3 | -68.2 | -178.5 | -176.3 | 176.2 | 0 | 110.6 | F1056 A1058 L1063 | F1056-K1061 WeakPolarHBondContact O-CE 3.14Å; F1056-K1061 PolarHBondContact O-NZ 2.79Å; A1058-K1061 HydrophobicContact CB-CG 4.05Å; A1058-K1061 WeakPolarHBondContact O-CE 3.31Å; K1061-L1063 PolarHBondContact O-N 2.94Å | ||
| 1062 | P | 75.6 | Confident | 74.7 | Confident | 22 Ų | 22 | 47.3 Ų | 47.3 | 14% | 0.143 | 24% | 0.24 | C | C | . | . | trans | -53.5 | 134 | 166.4 | -29 | 37.8 | 0 | 0 | 0 | 111.5 | W1050 S1064 C1080 Q1081 I1179 | W1050-P1062 HydrophobicContact CH2-CB 3.95Å; W1050-P1062 HydrophobicContact CH2-CG 3.58Å; W1050-P1062 HydrophobicContact CZ2-CB 4.47Å; W1050-P1062 HydrophobicContact CZ3-CG 4.11Å; P1062-S1064 VanDerWaalsContact C-N 3.26Å; P1062-S1064 VanDerWaalsContact CB-O 3.24Å; P1062-S1064 WeakPolarHBondContact CB-O 3.23Å; P1062-C1080 HydrophobicContact CB-CB 4.09Å; P1062-C1080 HydrophobicContact CG-CB 4.26Å; P1062-Q1081 CarbonylContact C-O 3.59Å; P1062-Q1081 WeakPolarHBondContact CA-O 3.45Å; P1062-I1179 HydrophobicContact CG-CG2 4.11Å | ||
| 1063 | L | 83 | Confident | 76.1 | Confident | 112 Ų | 112 | 46.5 Ų | 46.5 | 59% | 0.586 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -71.8 | -25.2 | 176.7 | -64.8 | 176.1 | 0 | 0 | 0 | 112.2 | K1061 Q1081 I1082 | K1061-L1063 PolarHBondContact O-N 2.94Å; L1063-Q1081 HydrophobicContact CB-CB 4.03Å; L1063-Q1081 PolarHBondContact N-O 2.87Å; L1063-I1082 WeakPolarHBondContact CD1-O 3.43Å |
| 1064 | S | 81.2 | Confident | 77.9 | Confident | 10 Ų | 10 | 43 Ų | 43 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -128.4 | 157.7 | 176.1 | 69.6 | 0 | 0 | 0 | 0 | 109.6 | P1062 | P1062-S1064 VanDerWaalsContact C-N 3.26Å; P1062-S1064 VanDerWaalsContact CB-O 3.24Å; P1062-S1064 WeakPolarHBondContact CB-O 3.23Å |
| 1065 | P | 82.9 | Confident | 79.8 | Confident | 45 Ų | 45 | 38.4 Ų | 38.4 | 29% | 0.292 | 19% | 0.194 | S | C | . | . | trans | -48.2 | 133.2 | 162.6 | -24.9 | 33.2 | 0 | 0 | 0 | 110.1 | R1048 | R1048-P1065 HydrophobicContact CG-CB 4.07Å; R1048-P1065 VanDerWaalsContact NH2-CD 3.33Å | ||
| 1066 | P | 88.6 | Confident | 81.8 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | trans | -61.4 | 157.8 | 177.3 | 12.6 | -15 | 0 | 0 | 0 | 110.8 | G1049 W1050 V1078 V1079 C1080 | G1049-P1066 PolarHBondContact N-O 3.08Å; G1049-P1066 WeakPolarHBondContact O-CG 3.3Å; G1049-P1066 VanDerWaalsContact O-O 3.07Å; W1050-P1066 VanDerWaalsContact CD2-CD 3.48Å; W1050-P1066 HydrophobicContact CD2-CG 3.64Å; W1050-P1066 HydrophobicContact CE3-CG 3.64Å; W1050-P1066 HydrophobicContact CG-CG 4.17Å; W1050-P1066 HydrophobicContact CH2-CG 4.18Å; W1050-P1066 HydrophobicContact CZ2-CG 4.15Å; W1050-P1066 HydrophobicContact CZ3-CG 3.92Å; P1066-V1078 HydrophobicContact CB-CG1 3.55Å; P1066-V1079 WeakPolarHBondContact CA-O 3.41Å; P1066-C1080 HydrophobicContact CB-CB 4.12Å | ||
| 1067 | M | 92.3 | Very high | 84 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 119.2 | 172.4 | -64.6 | 173.2 | -70.3 | 0 | 0 | 107.7 | A997 V999 L1005 I1046 E1047 V1078 V1079 | A997-M1067 HydrophobicContact CB-SD 4Å; V999-M1067 HydrophobicContact CB-CE 4.47Å; V999-M1067 HydrophobicContact CG1-CE 4.25Å; V999-M1067 HydrophobicContact CG2-CE 3.71Å; V999-M1067 HydrophobicContact CG2-SD 3.87Å; L1005-M1067 HydrophobicContact CB-CE 4.03Å; L1005-M1067 HydrophobicContact CB-SD 4.12Å; L1005-M1067 HydrophobicContact CD2-CE 3.54Å; L1005-M1067 HydrophobicContact CD2-SD 4Å; L1005-M1067 HydrophobicContact CG-CE 4.38Å; I1046-M1067 HydrophobicContact CG2-CB 3.9Å; E1047-M1067 CarbonylContact O-C 3.59Å; E1047-M1067 WeakPolarHBondContact O-CA 3.38Å; M1067-V1078 CarbonylContact O-C 3.15Å; M1067-V1078 WeakPolarHBondContact O-CA 3.47Å; M1067-V1079 HydrophobicContact CE-CB 4.21Å; M1067-V1079 HydrophobicContact CE-CG1 4.12Å; M1067-V1079 PolarHBondContact N-O 2.81Å; M1067-V1079 PolarHBondContact O-N 2.84Å |
| 1068 | V | 93.6 | Very high | 86 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 140.4 | 171.9 | -173.7 | 0 | 0 | 0 | 0 | 107.9 | M372 L374 I385 I1046 E1047 I1051 G1077 V1078 | M372-V1068 HydrophobicContact CE-CB 4.46Å; M372-V1068 HydrophobicContact CE-CG1 4.44Å; M372-V1068 WeakPolarHBondContact CE-O 3.49Å; M372-V1068 HydrophobicContact SD-CG1 4.4Å; L374-V1068 HydrophobicContact CD1-CG2 4.18Å; I385-V1068 HydrophobicContact CD1-CG1 3.8Å; I1046-V1068 CarbonylContact C-O 3.55Å; I1046-V1068 VanDerWaalsContact CA-O 3.31Å; I1046-V1068 WeakPolarHBondContact CA-O 3.33Å; E1047-V1068 PolarHBondContact N-O 2.9Å; E1047-V1068 PolarHBondContact O-N 2.63Å; I1051-V1068 HydrophobicContact CD1-CG1 4.04Å; I1051-V1068 HydrophobicContact CD1-CG2 3.79Å; I1051-V1068 HydrophobicContact CG1-CG2 3.68Å; V1068-G1077 CarbonylContact C-O 3.53Å; V1068-G1077 VanDerWaalsContact CA-O 3.26Å; V1068-G1077 WeakPolarHBondContact CA-O 3.23Å; V1068-V1078 HydrophobicContact CG2-CG2 4.37Å |
| 1069 | Y | 96.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 19.4 Ų | 19.4 | 0% | 0.004 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 146.1 | 173.8 | 63.9 | -94.8 | 0 | 0 | 0 | 111.3 | V6 F1013 L1039 V1043 C1045 T1071 L1076 G1077 V1079 | V6-Y1069 HydrophobicContact CG1-CE1 4.39Å; F1013-Y1069 HydrophobicContact CE2-CD1 4.2Å; F1013-Y1069 AromaticContact CE2-CE1 3.93Å; F1013-Y1069 HydrophobicContact CE2-CE1 3.93Å; F1013-Y1069 AromaticContact CZ-CD1 3.81Å; F1013-Y1069 HydrophobicContact CZ-CD1 3.81Å; F1013-Y1069 HydrophobicContact CZ-CD2 4.24Å; F1013-Y1069 HydrophobicContact CZ-CE1 4.01Å; F1013-Y1069 HydrophobicContact CZ-CE2 4.45Å; F1013-Y1069 AromaticContact CZ-CG 3.91Å; F1013-Y1069 HydrophobicContact CZ-CG 3.91Å; L1039-Y1069 HydrophobicContact CD1-CE2 4.33Å; L1039-Y1069 WeakPolarHBondContact CD1-OH 3.14Å; L1039-Y1069 HydrophobicContact CD2-CD2 4.37Å; L1039-Y1069 HydrophobicContact CD2-CE2 3.77Å; V1043-Y1069 HydrophobicContact CG2-CD2 4.21Å; C1045-Y1069 VanDerWaalsContact O-CA 3.27Å; C1045-Y1069 WeakPolarHBondContact O-CA 3.5Å; Y1069-T1071 HydrophobicContact CD2-CG2 3.97Å; Y1069-T1071 HydrophobicContact CE2-CG2 4.09Å; Y1069-L1076 WeakPolarHBondContact O-CA 3.45Å; Y1069-G1077 VanDerWaalsContact CD1-C 3.44Å; Y1069-G1077 WeakPolarHBondContact CD1-O 3.35Å; Y1069-G1077 VanDerWaalsContact CE1-CA 3.5Å; Y1069-G1077 PolarHBondContact N-O 2.83Å; Y1069-G1077 PolarHBondContact O-N 2.69Å; Y1069-V1079 HydrophobicContact CD1-CG2 3.76Å; Y1069-V1079 HydrophobicContact CE1-CG2 3.66Å |
| 1070 | G | 96.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 140.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1044 C1045 | N1044-G1070 PolarHBondContact N-O 2.9Å; C1045-G1070 PolarHBondContact N-O 3.11Å; C1045-G1070 PolarHBondContact O-N 2.97Å |
| 1071 | T | 97.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 159.7 | -175.3 | 70.2 | 0 | 0 | 0 | 0 | 113.9 | I369 E1041 F1042 V1043 Y1069 E1073 G1074 S1075 | I369-T1071 WeakPolarHBondContact CB-O 3.47Å; I369-T1071 PolarHBondContact N-O 2.95Å; I369-T1071 VanDerWaalsContact N-O 3.08Å; E1041-T1071 HydrophobicContact CB-CG2 3.87Å; F1042-T1071 CarbonylContact O-C 3.55Å; F1042-T1071 WeakPolarHBondContact O-CA 3.4Å; F1042-T1071 VanDerWaalsContact O-CB 3.31Å; F1042-T1071 WeakPolarHBondContact O-CB 3.43Å; V1043-T1071 HydrophobicContact CG2-CG2 4.3Å; Y1069-T1071 HydrophobicContact CD2-CG2 3.97Å; Y1069-T1071 HydrophobicContact CE2-CG2 4.09Å; T1071-E1073 PolarHBondContact O-N 2.83Å; T1071-E1073 PolarHBondContact OG1-N 2.92Å; T1071-G1074 PolarHBondContact O-N 2.66Å; T1071-G1074 VanDerWaalsContact O-N 3.16Å; T1071-G1074 PolarHBondContact OG1-N 2.88Å; T1071-S1075 WeakPolarHBondContact CB-OG 3.08Å; T1071-S1075 WeakPolarHBondContact CG2-OG 3.08Å; T1071-S1075 PolarHBondContact N-O 3.22Å; T1071-S1075 VanDerWaalsContact N-O 3.09Å; T1071-S1075 WeakPolarHBondContact OG1-CB 3.34Å; T1071-S1075 PolarHBondContact OG1-N 2.81Å; T1071-S1075 PolarHBondContact OG1-O 3.47Å; T1071-S1075 PolarHBondContact OG1-OG 3Å |
| 1072 | A | 95.2 | Very high | 91.3 | Very high | 14 Ų | 14 | 11.1 Ų | 11.1 | 12% | 0.116 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -22 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P368 F1042 G1074 | P368-A1072 VanDerWaalsContact CA-O 3.29Å; P368-A1072 WeakPolarHBondContact CA-O 3.42Å; F1042-A1072 HydrophobicContact CB-CB 4Å; F1042-A1072 HydrophobicContact CD1-CB 4.23Å; F1042-A1072 HydrophobicContact CG-CB 4.47Å; F1042-A1072 PolarHBondContact O-N 2.84Å; A1072-G1074 VanDerWaalsContact C-N 3.31Å |
| 1073 | E | 95.2 | Very high | 92 | Very high | 13 Ų | 13 | 11.5 Ų | 11.5 | 6% | 0.061 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 2.4 | 177.4 | -63.8 | 79.1 | -177.6 | 0 | 0 | 113.5 | S12 T13 A14 T36 R60 F1042 T1071 | S12-E1073 CarbonylContact C-O 3.58Å; S12-E1073 WeakPolarHBondContact CA-O 3.32Å; T13-E1073 PolarHBondContact N-O 3.12Å; A14-E1073 WeakPolarHBondContact CB-O 3.01Å; A14-E1073 PolarHBondContact N-O 3.45Å; T36-E1073 HydrophobicContact CG2-CG 4.47Å; T36-E1073 WeakPolarHBondContact OG1-CG 3.45Å; R60-E1073 IonicContact CZ-OE1 3.92Å; R60-E1073 VanDerWaalsContact CZ-OE1 3.24Å; R60-E1073 IonicContact NH1-OE1 3.08Å; R60-E1073 PolarHBondContact NH1-OE1 2.89Å; R60-E1073 IonicContact NH2-OE1 3.25Å; R60-E1073 PolarHBondContact NH2-OE1 2.92Å; F1042-E1073 PolarHBondContact N-OE2 3.36Å; T1071-E1073 PolarHBondContact O-N 2.83Å; T1071-E1073 PolarHBondContact OG1-N 2.92Å |
| 1074 | G | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.06 | C | C | . | . | S | Bend | trans | 79.7 | 22.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T13 G367 T1071 A1072 | T13-G1074 PolarHBondContact OG1-O 2.99Å; G367-G1074 VanDerWaalsContact CA-CA 3.46Å; G367-G1074 VanDerWaalsContact N-CA 3.32Å; T1071-G1074 PolarHBondContact O-N 2.66Å; T1071-G1074 VanDerWaalsContact O-N 3.16Å; T1071-G1074 PolarHBondContact OG1-N 2.88Å; A1072-G1074 VanDerWaalsContact C-N 3.31Å |
| 1075 | S | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -93.6 | 147.6 | 172.1 | 77.5 | 0 | 0 | 0 | 0 | 110.9 | H10 I369 E1041 T1071 | H10-S1075 CarbonylContact O-C 3.39Å; H10-S1075 WeakPolarHBondContact O-CA 3.36Å; H10-S1075 WeakPolarHBondContact O-CB 3.15Å; I369-S1075 WeakPolarHBondContact CD1-O 3.42Å; E1041-S1075 VanDerWaalsContact OE2-CB 3.27Å; E1041-S1075 WeakPolarHBondContact OE2-CB 3.24Å; E1041-S1075 PolarHBondContact OE2-OG 2.86Å; T1071-S1075 WeakPolarHBondContact CB-OG 3.08Å; T1071-S1075 WeakPolarHBondContact CG2-OG 3.08Å; T1071-S1075 PolarHBondContact N-O 3.22Å; T1071-S1075 VanDerWaalsContact N-O 3.09Å; T1071-S1075 WeakPolarHBondContact OG1-CB 3.34Å; T1071-S1075 PolarHBondContact OG1-N 2.81Å; T1071-S1075 PolarHBondContact OG1-O 3.47Å; T1071-S1075 PolarHBondContact OG1-OG 3Å | ||
| 1076 | L | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.9 | 165.9 | -68.9 | 168.2 | 0 | 0 | 0 | 108.2 | A9 H10 L366 I369 M372 I385 V400 Y1069 | A9-L1076 WeakPolarHBondContact CA-O 3.29Å; A9-L1076 PolarHBondContact N-O 2.9Å; H10-L1076 HydrophobicContact CB-CB 3.92Å; H10-L1076 HydrophobicContact CB-CD1 4.37Å; H10-L1076 HydrophobicContact CB-CG 4.45Å; H10-L1076 PolarHBondContact N-O 2.56Å; H10-L1076 PolarHBondContact O-N 3.41Å; L366-L1076 HydrophobicContact CD2-CD1 4.48Å; I369-L1076 HydrophobicContact CD1-CD2 3.64Å; I369-L1076 HydrophobicContact CD1-CG 3.92Å; M372-L1076 HydrophobicContact SD-CD2 4.32Å; I385-L1076 HydrophobicContact CD1-CD1 4.35Å; V400-L1076 HydrophobicContact CB-CD1 4.24Å; V400-L1076 HydrophobicContact CG1-CD1 4.09Å; V400-L1076 HydrophobicContact CG2-CD1 3.74Å; Y1069-L1076 WeakPolarHBondContact O-CA 3.45Å |
| 1077 | G | 93.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 171.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V7 V1068 Y1069 | V7-G1077 CarbonylContact O-C 3.48Å; V7-G1077 WeakPolarHBondContact O-CA 3.36Å; V1068-G1077 CarbonylContact C-O 3.53Å; V1068-G1077 VanDerWaalsContact CA-O 3.26Å; V1068-G1077 WeakPolarHBondContact CA-O 3.23Å; Y1069-G1077 VanDerWaalsContact CD1-C 3.44Å; Y1069-G1077 WeakPolarHBondContact CD1-O 3.35Å; Y1069-G1077 VanDerWaalsContact CE1-CA 3.5Å; Y1069-G1077 PolarHBondContact N-O 2.83Å; Y1069-G1077 PolarHBondContact O-N 2.69Å |
| 1078 | V | 93 | Very high | 93.1 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 133.8 | -175.7 | 178.2 | 0 | 0 | 0 | 0 | 109.6 | V6 V7 A9 I1051 P1066 M1067 V1068 I1179 H1180 | V6-V1078 WeakPolarHBondContact CA-O 3.37Å; V7-V1078 HydrophobicContact CG1-CB 4.17Å; V7-V1078 PolarHBondContact N-O 2.81Å; V7-V1078 PolarHBondContact O-N 3.45Å; A9-V1078 HydrophobicContact CB-CG2 4.3Å; I1051-V1078 HydrophobicContact CD1-CG2 4Å; P1066-V1078 HydrophobicContact CB-CG1 3.55Å; M1067-V1078 CarbonylContact O-C 3.15Å; M1067-V1078 WeakPolarHBondContact O-CA 3.47Å; V1068-V1078 HydrophobicContact CG2-CG2 4.37Å; V1078-I1179 HydrophobicContact CG1-CD1 4.22Å; V1078-I1179 HydrophobicContact CG1-CG1 4.31Å; V1078-H1180 HydrophobicContact CB-CB 4.36Å; V1078-H1180 HydrophobicContact CG2-CB 3.74Å |
| 1079 | V | 94.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 129.4 | 170.1 | -172.4 | 0 | 0 | 0 | 0 | 109 | N4 Y5 V6 L1005 F1013 P1066 M1067 Y1069 F1127 | N4-V1079 HydrophobicContact CB-CG1 4.36Å; Y5-V1079 WeakPolarHBondContact O-CA 3.41Å; V6-V1079 HydrophobicContact CG1-CG2 4.38Å; V6-V1079 HydrophobicContact CG2-CB 4.38Å; V6-V1079 HydrophobicContact CG2-CG1 3.92Å; V6-V1079 HydrophobicContact CG2-CG2 3.86Å; L1005-V1079 HydrophobicContact CD2-CB 4.08Å; L1005-V1079 HydrophobicContact CD2-CG1 4.08Å; L1005-V1079 HydrophobicContact CD2-CG2 4.07Å; F1013-V1079 HydrophobicContact CE2-CG2 4.04Å; F1013-V1079 HydrophobicContact CZ-CG2 4.28Å; P1066-V1079 WeakPolarHBondContact CA-O 3.41Å; M1067-V1079 HydrophobicContact CE-CB 4.21Å; M1067-V1079 HydrophobicContact CE-CG1 4.12Å; M1067-V1079 PolarHBondContact N-O 2.81Å; M1067-V1079 PolarHBondContact O-N 2.84Å; Y1069-V1079 HydrophobicContact CD1-CG2 3.76Å; Y1069-V1079 HydrophobicContact CE1-CG2 3.66Å; V1079-F1127 HydrophobicContact CG1-CE1 4.33Å |
| 1080 | C | 91.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 151.8 | 176.7 | 73.1 | 0 | 0 | 0 | 0 | 112.6 | N4 Y5 P1062 P1066 | N4-C1080 CarbonylContact C-O 3.5Å; N4-C1080 WeakPolarHBondContact CA-O 3.44Å; Y5-C1080 PolarHBondContact N-O 2.84Å; Y5-C1080 PolarHBondContact O-N 3.36Å; P1062-C1080 HydrophobicContact CB-CB 4.09Å; P1062-C1080 HydrophobicContact CG-CB 4.26Å; P1066-C1080 HydrophobicContact CB-CB 4.12Å |
| 1081 | Q | 91.5 | Very high | 92.5 | Very high | 11 Ų | 11 | 20.3 Ų | 20.3 | 5% | 0.051 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 133.8 | 174.8 | -72.1 | -172.1 | -38.7 | 0 | 0 | 111.1 | Y3 V999 E1003 Y1015 P1062 L1063 | Y3-Q1081 CarbonylContact O-C 3.58Å; Y3-Q1081 VanDerWaalsContact O-CA 3.31Å; Y3-Q1081 WeakPolarHBondContact O-CA 3.13Å; V999-Q1081 HydrophobicContact CG1-CG 3.76Å; V999-Q1081 VanDerWaalsContact CG1-NE2 3.35Å; E1003-Q1081 PolarHBondContact OE2-NE2 3.37Å; Y1015-Q1081 PolarHBondContact OH-NE2 2.86Å; P1062-Q1081 CarbonylContact C-O 3.59Å; P1062-Q1081 WeakPolarHBondContact CA-O 3.45Å; L1063-Q1081 HydrophobicContact CB-CB 4.03Å; L1063-Q1081 PolarHBondContact N-O 2.87Å |
| 1082 | I | 91.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 159.1 | 176.4 | 60 | 170.4 | 0 | 0 | 0 | 110.8 | Y3 L1063 H1086 F1087 L1090 V1128 L1176 | Y3-I1082 PolarHBondContact O-N 3.26Å; L1063-I1082 WeakPolarHBondContact CD1-O 3.43Å; I1082-H1086 HydrophobicContact CB-CB 4.45Å; I1082-F1087 HydrophobicContact CD1-CB 3.94Å; I1082-F1087 HydrophobicContact CD1-CD2 4.33Å; I1082-F1087 HydrophobicContact CG1-CB 4.37Å; I1082-L1090 HydrophobicContact CD1-CD1 3.95Å; I1082-V1128 HydrophobicContact CD1-CG2 4.46Å; I1082-L1176 HydrophobicContact CG2-CD2 4.29Å |
| 1083 | S | 90.9 | Very high | 92 | Very high | 29 Ų | 29 | 20.9 Ų | 20.9 | 20% | 0.203 | 10% | 0.102 | C | C | . | . | trans | -68.7 | 157.6 | 175.7 | 72.1 | 0 | 0 | 0 | 0 | 111.3 | E1085 H1086 F1087 | S1083-E1085 PolarHBondContact O-N 3.22Å; S1083-H1086 PolarHBondContact O-N 2.75Å; S1083-H1086 PolarHBondContact OG-N 3.03Å; S1083-H1086 VanDerWaalsContact OG-N 3.17Å; S1083-H1086 PolarHBondContact OG-ND1 2.83Å; S1083-F1087 WeakPolarHBondContact O-CB 3.37Å; S1083-F1087 PolarHBondContact O-N 2.86Å | ||
| 1084 | E | 90.7 | Very high | 91.8 | Very high | 90 Ų | 90 | 20.6 Ų | 20.6 | 42% | 0.421 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -57.8 | -37.9 | 173.7 | -173.8 | 176.2 | 158.4 | 0 | 0 | 112 | Y3 F1087 K1088 | Y3-E1084 HydrophobicContact CD2-CB 3.94Å; Y3-E1084 HydrophobicContact CD2-CG 4.36Å; Y3-E1084 HydrophobicContact CE2-CB 3.43Å; Y3-E1084 VanDerWaalsContact CE2-CB 3.43Å; Y3-E1084 HydrophobicContact CE2-CG 3.5Å; E1084-F1087 PolarHBondContact O-N 3.06Å; E1084-K1088 WeakPolarHBondContact O-CG 3.45Å; E1084-K1088 PolarHBondContact O-N 2.86Å; E1084-K1088 WeakPolarHBondContact OE1-CE 3.39Å; E1084-K1088 IonicContact OE1-NZ 3.04Å; E1084-K1088 PolarHBondContact OE1-NZ 3.41Å |
| 1085 | E | 88.1 | Confident | 91.7 | Very high | 101 Ų | 101 | 25.7 Ų | 25.7 | 47% | 0.472 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -58.6 | -53.6 | 177.1 | -168.5 | -176.4 | 162.9 | 0 | 0 | 110.7 | S1083 F1087 K1088 I1089 F1162 | S1083-E1085 PolarHBondContact O-N 3.22Å; E1085-F1087 VanDerWaalsContact C-N 3.33Å; E1085-F1087 PolarHBondContact O-N 2.89Å; E1085-K1088 PolarHBondContact O-N 2.89Å; E1085-I1089 HydrophobicContact CG-CD1 4.49Å; E1085-I1089 WeakPolarHBondContact O-CG1 3.35Å; E1085-I1089 PolarHBondContact O-N 2.79Å; E1085-F1162 HydrophobicContact CB-CE1 4.22Å; E1085-F1162 HydrophobicContact CB-CZ 4.48Å; E1085-F1162 HydrophobicContact CG-CD1 3.88Å; E1085-F1162 HydrophobicContact CG-CE1 3.16Å; E1085-F1162 HydrophobicContact CG-CZ 3.75Å |
| 1086 | H | 89.6 | Confident | 91.3 | Very high | 26 Ų | 26 | 30 Ų | 30 | 12% | 0.12 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.2 | -36.9 | 178.6 | -60.2 | 148.6 | 0 | 0 | 0 | 112 | C1060 I1082 S1083 K1088 I1089 L1090 | C1060-H1086 PolarHBondContact SG-ND1 2.89Å; C1060-H1086 VanDerWaalsContact SG-ND1 3.36Å; I1082-H1086 HydrophobicContact CB-CB 4.45Å; S1083-H1086 PolarHBondContact O-N 2.75Å; S1083-H1086 PolarHBondContact OG-N 3.03Å; S1083-H1086 VanDerWaalsContact OG-N 3.17Å; S1083-H1086 PolarHBondContact OG-ND1 2.83Å; H1086-K1088 PolarHBondContact O-N 2.9Å; H1086-I1089 PolarHBondContact O-N 3.26Å; H1086-L1090 WeakPolarHBondContact O-CB 3.49Å; H1086-L1090 VanDerWaalsContact O-CG 3.27Å; H1086-L1090 WeakPolarHBondContact O-CG 3.41Å; H1086-L1090 PolarHBondContact O-N 3.17Å |
| 1087 | F | 92.7 | Very high | 90.9 | Very high | 27 Ų | 27 | 30 Ų | 30 | 12% | 0.118 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.1 | -47.5 | 176.3 | 176.1 | -93.9 | 0 | 0 | 0 | 112 | Y3 I1082 S1083 E1084 E1085 I1089 L1090 D1091 V1128 | Y3-F1087 HydrophobicContact CD1-CB 3.89Å; Y3-F1087 AromaticContact CD1-CD1 3.39Å; Y3-F1087 HydrophobicContact CD1-CD1 3.39Å; Y3-F1087 AromaticContact CD1-CD2 3.52Å; Y3-F1087 HydrophobicContact CD1-CD2 3.52Å; Y3-F1087 AromaticContact CD1-CE1 3.74Å; Y3-F1087 HydrophobicContact CD1-CE1 3.74Å; Y3-F1087 AromaticContact CD1-CE2 3.85Å; Y3-F1087 HydrophobicContact CD1-CE2 3.85Å; Y3-F1087 AromaticContact CD1-CG 3.28Å; Y3-F1087 HydrophobicContact CD1-CG 3.28Å; Y3-F1087 AromaticContact CD1-CZ 3.96Å; Y3-F1087 HydrophobicContact CD1-CZ 3.96Å; Y3-F1087 HydrophobicContact CD2-CB 4.31Å; Y3-F1087 AromaticContact CE1-CD1 3.58Å; Y3-F1087 HydrophobicContact CE1-CD1 3.58Å; Y3-F1087 HydrophobicContact CE1-CD2 4.49Å; Y3-F1087 AromaticContact CE1-CE1 3.8Å; Y3-F1087 HydrophobicContact CE1-CE1 3.8Å; Y3-F1087 AromaticContact CE1-CG 3.96Å; Y3-F1087 HydrophobicContact CE1-CG 3.96Å; Y3-F1087 HydrophobicContact CE1-CZ 4.35Å; Y3-F1087 HydrophobicContact CG-CB 3.71Å; Y3-F1087 HydrophobicContact CG-CD1 4.12Å; Y3-F1087 AromaticContact CG-CD2 3.91Å; Y3-F1087 HydrophobicContact CG-CD2 3.91Å; Y3-F1087 AromaticContact CG-CG 3.63Å; Y3-F1087 HydrophobicContact CG-CG 3.63Å; I1082-F1087 HydrophobicContact CD1-CB 3.94Å; I1082-F1087 HydrophobicContact CD1-CD2 4.33Å; I1082-F1087 HydrophobicContact CG1-CB 4.37Å; S1083-F1087 WeakPolarHBondContact O-CB 3.37Å; S1083-F1087 PolarHBondContact O-N 2.86Å; E1084-F1087 PolarHBondContact O-N 3.06Å; E1085-F1087 VanDerWaalsContact C-N 3.33Å; E1085-F1087 PolarHBondContact O-N 2.89Å; F1087-I1089 VanDerWaalsContact C-N 3.31Å; F1087-I1089 PolarHBondContact O-N 3.09Å; F1087-L1090 PolarHBondContact O-N 2.9Å; F1087-D1091 HydrophobicContact CE1-CB 4.36Å; F1087-D1091 HydrophobicContact CZ-CB 4.37Å; F1087-D1091 VanDerWaalsContact O-CB 3.25Å; F1087-D1091 WeakPolarHBondContact O-CB 3.44Å; F1087-D1091 PolarHBondContact O-N 2.98Å; F1087-V1128 HydrophobicContact CD2-CG2 3.53Å; F1087-V1128 HydrophobicContact CE2-CG2 3.64Å; F1087-V1128 HydrophobicContact CG-CG2 4.5Å |
| 1088 | K | 90.9 | Very high | 90.7 | Very high | 81 Ų | 81 | 32 Ų | 32 | 35% | 0.352 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.8 | -41.5 | 178.7 | -73.4 | 174.5 | -175.4 | 165.1 | 0 | 111.9 | E1084 E1085 H1086 T1092 F1162 | E1084-K1088 WeakPolarHBondContact O-CG 3.45Å; E1084-K1088 PolarHBondContact O-N 2.86Å; E1084-K1088 WeakPolarHBondContact OE1-CE 3.39Å; E1084-K1088 IonicContact OE1-NZ 3.04Å; E1084-K1088 PolarHBondContact OE1-NZ 3.41Å; E1085-K1088 PolarHBondContact O-N 2.89Å; H1086-K1088 PolarHBondContact O-N 2.9Å; K1088-T1092 WeakPolarHBondContact O-CB 3.47Å; K1088-T1092 PolarHBondContact O-N 3.36Å; K1088-T1092 PolarHBondContact O-OG1 2.89Å; K1088-F1162 HydrophobicContact CB-CZ 4.48Å; K1088-F1162 HydrophobicContact CD-CZ 4.27Å |
| 1089 | I | 89.8 | Confident | 90.4 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.1 | -52 | 177.9 | -62.5 | 164.5 | 0 | 0 | 0 | 110 | E1085 H1086 F1087 T1092 L1093 L1155 F1162 L1164 V1169 I1172 | E1085-I1089 HydrophobicContact CG-CD1 4.49Å; E1085-I1089 WeakPolarHBondContact O-CG1 3.35Å; E1085-I1089 PolarHBondContact O-N 2.79Å; H1086-I1089 PolarHBondContact O-N 3.26Å; F1087-I1089 VanDerWaalsContact C-N 3.31Å; F1087-I1089 PolarHBondContact O-N 3.09Å; I1089-T1092 PolarHBondContact O-N 3.08Å; I1089-L1093 WeakPolarHBondContact O-CB 3.29Å; I1089-L1093 PolarHBondContact O-N 2.78Å; I1089-L1155 HydrophobicContact CB-CD1 4.13Å; I1089-L1155 HydrophobicContact CG1-CD1 4.04Å; I1089-L1155 HydrophobicContact CG2-CD1 4.02Å; I1089-F1162 HydrophobicContact CD1-CD1 4.14Å; I1089-F1162 HydrophobicContact CD1-CE1 3.96Å; I1089-F1162 HydrophobicContact CG1-CD1 4.22Å; I1089-F1162 HydrophobicContact CG1-CE1 3.89Å; I1089-L1164 HydrophobicContact CD1-CD1 3.66Å; I1089-L1164 HydrophobicContact CD1-CD2 4.05Å; I1089-L1164 HydrophobicContact CG1-CD1 4.23Å; I1089-V1169 HydrophobicContact CG2-CG1 3.84Å; I1089-V1169 HydrophobicContact CG2-CG2 4.12Å; I1089-I1172 HydrophobicContact CD1-CD1 4.01Å |
| 1090 | L | 91.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.9 | -37.8 | -174.4 | -66.3 | 166.4 | 0 | 0 | 0 | 113 | Y5 I1082 H1086 F1087 T1092 L1093 Q1094 V1128 I1133 I1172 L1176 | Y5-L1090 HydrophobicContact CD2-CD1 4.36Å; I1082-L1090 HydrophobicContact CD1-CD1 3.95Å; H1086-L1090 WeakPolarHBondContact O-CB 3.49Å; H1086-L1090 VanDerWaalsContact O-CG 3.27Å; H1086-L1090 WeakPolarHBondContact O-CG 3.41Å; H1086-L1090 PolarHBondContact O-N 3.17Å; F1087-L1090 PolarHBondContact O-N 2.9Å; L1090-T1092 VanDerWaalsContact C-N 3.3Å; L1090-T1092 PolarHBondContact O-N 3.16Å; L1090-L1093 WeakPolarHBondContact O-CB 3.28Å; L1090-L1093 PolarHBondContact O-N 2.72Å; L1090-Q1094 VanDerWaalsContact O-CB 3.32Å; L1090-Q1094 WeakPolarHBondContact O-CB 3.12Å; L1090-Q1094 PolarHBondContact O-N 2.87Å; L1090-V1128 HydrophobicContact CB-CG1 3.94Å; L1090-V1128 HydrophobicContact CB-CG2 4.19Å; L1090-I1133 HydrophobicContact CD2-CG2 4.42Å; L1090-I1172 HydrophobicContact CD2-CG2 4.25Å; L1090-L1176 HydrophobicContact CD1-CD1 3.36Å; L1090-L1176 HydrophobicContact CD2-CD1 4.31Å; L1090-L1176 HydrophobicContact CG-CD1 4.46Å |
| 1091 | D | 92.7 | Very high | 89.1 | Confident | 30 Ų | 30 | 47.8 Ų | 47.8 | 16% | 0.16 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.8 | -38.1 | 175.3 | 178.9 | 48.5 | 0 | 0 | 0 | 111.4 | F1087 Q1094 K1095 | F1087-D1091 HydrophobicContact CE1-CB 4.36Å; F1087-D1091 HydrophobicContact CZ-CB 4.37Å; F1087-D1091 VanDerWaalsContact O-CB 3.25Å; F1087-D1091 WeakPolarHBondContact O-CB 3.44Å; F1087-D1091 PolarHBondContact O-N 2.98Å; D1091-Q1094 PolarHBondContact O-N 2.68Å; D1091-K1095 WeakPolarHBondContact O-CG 3.25Å; D1091-K1095 PolarHBondContact O-N 3.47Å; D1091-K1095 VanDerWaalsContact OD1-CE 3.29Å; D1091-K1095 WeakPolarHBondContact OD1-CE 3.16Å; D1091-K1095 IonicContact OD1-NZ 3.52Å; D1091-K1095 VanDerWaalsContact OD2-CE 3.27Å; D1091-K1095 WeakPolarHBondContact OD2-CE 3.44Å; D1091-K1095 IonicContact OD2-NZ 2.85Å; D1091-K1095 PolarHBondContact OD2-NZ 3.44Å |
| 1092 | T | 90.7 | Very high | 88.4 | Confident | 27 Ų | 27 | 51.9 Ų | 51.9 | 17% | 0.166 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.3 | -43.6 | 174.4 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | K1088 I1089 L1090 K1095 R1096 V1151 L1155 | K1088-T1092 WeakPolarHBondContact O-CB 3.47Å; K1088-T1092 PolarHBondContact O-N 3.36Å; K1088-T1092 PolarHBondContact O-OG1 2.89Å; I1089-T1092 PolarHBondContact O-N 3.08Å; L1090-T1092 VanDerWaalsContact C-N 3.3Å; L1090-T1092 PolarHBondContact O-N 3.16Å; T1092-K1095 PolarHBondContact O-N 3.22Å; T1092-R1096 PolarHBondContact O-N 3.45Å; T1092-V1151 HydrophobicContact CG2-CG1 4.28Å; T1092-L1155 HydrophobicContact CG2-CD2 4.15Å; T1092-L1155 HydrophobicContact CG2-CG 4.22Å |
| 1093 | L | 89.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 174.7 | -179.2 | 61.4 | 0 | 0 | 0 | 111.3 | I1089 L1090 K1095 R1096 I1097 I1133 L1147 F1148 V1151 V1169 | I1089-L1093 WeakPolarHBondContact O-CB 3.29Å; I1089-L1093 PolarHBondContact O-N 2.78Å; L1090-L1093 WeakPolarHBondContact O-CB 3.28Å; L1090-L1093 PolarHBondContact O-N 2.72Å; L1093-K1095 PolarHBondContact O-N 3.48Å; L1093-R1096 WeakPolarHBondContact O-CB 3Å; L1093-R1096 PolarHBondContact O-N 2.99Å; L1093-R1096 VanDerWaalsContact O-N 3.08Å; L1093-I1097 HydrophobicContact CD1-CD1 4.04Å; L1093-I1097 HydrophobicContact CD1-CG1 4.25Å; L1093-I1097 HydrophobicContact CD2-CD1 4.45Å; L1093-I1097 HydrophobicContact CG-CD1 3.78Å; L1093-I1097 HydrophobicContact CG-CG1 4.4Å; L1093-I1097 WeakPolarHBondContact O-CG1 3.43Å; L1093-I1097 PolarHBondContact O-N 2.89Å; L1093-I1133 HydrophobicContact CB-CD1 4.28Å; L1093-I1133 HydrophobicContact CD2-CD1 4.06Å; L1093-I1133 HydrophobicContact CD2-CG2 4.24Å; L1093-I1133 HydrophobicContact CG-CD1 4.02Å; L1093-L1147 HydrophobicContact CD1-CD2 3.96Å; L1093-L1147 HydrophobicContact CD1-CG 4.47Å; L1093-F1148 HydrophobicContact CD1-CE1 4.47Å; L1093-F1148 HydrophobicContact CD1-CE2 4.49Å; L1093-F1148 HydrophobicContact CD1-CZ 4.39Å; L1093-F1148 HydrophobicContact CD2-CE1 3.79Å; L1093-F1148 HydrophobicContact CD2-CZ 3.91Å; L1093-V1151 HydrophobicContact CB-CG1 4.38Å; L1093-V1151 HydrophobicContact CD1-CG2 3.99Å; L1093-V1169 HydrophobicContact CD2-CG1 4.28Å |
| 1094 | Q | 92.1 | Very high | 87 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 3% | 0.033 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -54.8 | -52.6 | 177.7 | -177 | -171.3 | -81 | 0 | 0 | 111.3 | L1090 D1091 R1096 I1097 I1098 V1132 I1133 | L1090-Q1094 VanDerWaalsContact O-CB 3.32Å; L1090-Q1094 WeakPolarHBondContact O-CB 3.12Å; L1090-Q1094 PolarHBondContact O-N 2.87Å; D1091-Q1094 PolarHBondContact O-N 2.68Å; Q1094-R1096 PolarHBondContact O-N 2.98Å; Q1094-I1097 PolarHBondContact O-N 2.6Å; Q1094-I1098 HydrophobicContact CG-CD1 3.75Å; Q1094-I1098 WeakPolarHBondContact O-CD1 3.45Å; Q1094-I1098 VanDerWaalsContact O-CG1 3.28Å; Q1094-I1098 WeakPolarHBondContact O-CG1 3.5Å; Q1094-I1098 PolarHBondContact O-N 2.76Å; Q1094-V1132 HydrophobicContact CG-CB 4.41Å; Q1094-V1132 HydrophobicContact CG-CG1 4.1Å; Q1094-I1133 HydrophobicContact CB-CD1 3.92Å |
| 1095 | K | 91 | Very high | 86.2 | Confident | 107 Ų | 107 | 48.4 Ų | 48.4 | 47% | 0.465 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.3 | -33.2 | 178.6 | -72.9 | 169.8 | -170.4 | 161 | 0 | 112.3 | D1091 T1092 L1093 R1099 | D1091-K1095 WeakPolarHBondContact O-CG 3.25Å; D1091-K1095 PolarHBondContact O-N 3.47Å; D1091-K1095 VanDerWaalsContact OD1-CE 3.29Å; D1091-K1095 WeakPolarHBondContact OD1-CE 3.16Å; D1091-K1095 IonicContact OD1-NZ 3.52Å; D1091-K1095 VanDerWaalsContact OD2-CE 3.27Å; D1091-K1095 WeakPolarHBondContact OD2-CE 3.44Å; D1091-K1095 IonicContact OD2-NZ 2.85Å; D1091-K1095 PolarHBondContact OD2-NZ 3.44Å; T1092-K1095 PolarHBondContact O-N 3.22Å; L1093-K1095 PolarHBondContact O-N 3.48Å; K1095-R1099 WeakPolarHBondContact O-CG 3.32Å; K1095-R1099 PolarHBondContact O-N 2.99Å |
| 1096 | R | 87 | Confident | 86 | Confident | 89 Ų | 89 | 45.8 Ų | 45.8 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -76 | -43.8 | 178.2 | -167 | 68.7 | 178.9 | 168.2 | -0.2 | 111.9 | T1092 L1093 Q1094 I1098 R1099 M1100 L1147 V1151 | T1092-R1096 PolarHBondContact O-N 3.45Å; L1093-R1096 WeakPolarHBondContact O-CB 3Å; L1093-R1096 PolarHBondContact O-N 2.99Å; L1093-R1096 VanDerWaalsContact O-N 3.08Å; Q1094-R1096 PolarHBondContact O-N 2.98Å; R1096-I1098 VanDerWaalsContact C-N 3.35Å; R1096-I1098 PolarHBondContact O-N 2.94Å; R1096-R1099 PolarHBondContact O-N 2.67Å; R1096-M1100 PolarHBondContact O-N 3.38Å; R1096-M1100 VanDerWaalsContact O-N 3.16Å; R1096-L1147 HydrophobicContact CB-CD1 4.45Å; R1096-L1147 HydrophobicContact CG-CD1 3.45Å; R1096-L1147 VanDerWaalsContact CG-CD1 3.45Å; R1096-L1147 HydrophobicContact CG-CG 4.41Å; R1096-V1151 HydrophobicContact CB-CG2 4.26Å; R1096-V1151 HydrophobicContact CG-CG2 4.33Å |
| 1097 | I | 86.8 | Confident | 85.9 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.5 | -49.4 | 175.8 | -68.6 | 167.7 | 0 | 0 | 0 | 109.9 | L1093 Q1094 R1099 M1100 L1101 V1132 I1133 F1136 L1147 | L1093-I1097 HydrophobicContact CD1-CD1 4.04Å; L1093-I1097 HydrophobicContact CD1-CG1 4.25Å; L1093-I1097 HydrophobicContact CD2-CD1 4.45Å; L1093-I1097 HydrophobicContact CG-CD1 3.78Å; L1093-I1097 HydrophobicContact CG-CG1 4.4Å; L1093-I1097 WeakPolarHBondContact O-CG1 3.43Å; L1093-I1097 PolarHBondContact O-N 2.89Å; Q1094-I1097 PolarHBondContact O-N 2.6Å; I1097-R1099 PolarHBondContact O-N 2.92Å; I1097-M1100 PolarHBondContact O-N 3.34Å; I1097-L1101 HydrophobicContact CG2-CD1 4.36Å; I1097-L1101 PolarHBondContact O-N 2.89Å; I1097-V1132 HydrophobicContact CB-CG1 4.04Å; I1097-V1132 HydrophobicContact CG2-CG1 3.65Å; I1097-I1133 HydrophobicContact CD1-CD1 4.05Å; I1097-F1136 HydrophobicContact CD1-CB 3.62Å; I1097-F1136 HydrophobicContact CD1-CD1 4.32Å; I1097-F1136 HydrophobicContact CD1-CG 4.04Å; I1097-F1136 HydrophobicContact CG1-CB 4.02Å; I1097-F1136 HydrophobicContact CG1-CD1 4.4Å; I1097-F1136 HydrophobicContact CG1-CD2 4.4Å; I1097-F1136 HydrophobicContact CG1-CG 4.01Å; I1097-F1136 HydrophobicContact CG2-CB 4.26Å; I1097-L1147 HydrophobicContact CG1-CD2 3.79Å |
| 1098 | I | 88.2 | Confident | 85.8 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 21% | 0.21 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.1 | -35.5 | 179.4 | -67.5 | 161.3 | 0 | 0 | 0 | 112.2 | Q1094 R1096 H1109 V1132 | Q1094-I1098 HydrophobicContact CG-CD1 3.75Å; Q1094-I1098 WeakPolarHBondContact O-CD1 3.45Å; Q1094-I1098 VanDerWaalsContact O-CG1 3.28Å; Q1094-I1098 WeakPolarHBondContact O-CG1 3.5Å; Q1094-I1098 PolarHBondContact O-N 2.76Å; R1096-I1098 VanDerWaalsContact C-N 3.35Å; R1096-I1098 PolarHBondContact O-N 2.94Å; I1098-H1109 HydrophobicContact CD1-CB 3.74Å; I1098-H1109 VanDerWaalsContact CD1-CG 3.44Å; I1098-H1109 VanDerWaalsContact CD1-ND1 3.3Å; I1098-H1109 WeakPolarHBondContact CD1-ND1 3.41Å; I1098-H1109 HydrophobicContact CG1-CB 4.09Å; I1098-H1109 HydrophobicContact CG2-CB 4.06Å; I1098-V1132 HydrophobicContact CG1-CG1 3.99Å |
| 1099 | R | 86.3 | Confident | 85.9 | Confident | 192 Ų | 192 | 44.7 Ų | 44.7 | 73% | 0.725 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -73.3 | -31.2 | 177.9 | -74.6 | 177.1 | -175.7 | -179.1 | 3.8 | 113 | K1095 R1096 I1097 | K1095-R1099 WeakPolarHBondContact O-CG 3.32Å; K1095-R1099 PolarHBondContact O-N 2.99Å; R1096-R1099 PolarHBondContact O-N 2.67Å; I1097-R1099 PolarHBondContact O-N 2.92Å |
| 1100 | M | 81.8 | Confident | 86 | Confident | 80 Ų | 80 | 46.2 Ų | 46.2 | 39% | 0.394 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -84.3 | -34.9 | 178.8 | -63.8 | -150.4 | -47.5 | 0 | 0 | 112.5 | R1096 I1097 P1102 F1136 L1147 | R1096-M1100 PolarHBondContact O-N 3.38Å; R1096-M1100 VanDerWaalsContact O-N 3.16Å; I1097-M1100 PolarHBondContact O-N 3.34Å; M1100-P1102 WeakPolarHBondContact O-CD 3.39Å; M1100-F1136 HydrophobicContact CE-CE2 3.76Å; M1100-F1136 HydrophobicContact CE-CZ 4.11Å; M1100-L1147 HydrophobicContact CE-CB 4.31Å; M1100-L1147 HydrophobicContact CE-CD1 3.4Å; M1100-L1147 HydrophobicContact CE-CD2 3.8Å; M1100-L1147 HydrophobicContact CE-CG 4.01Å; M1100-L1147 HydrophobicContact SD-CD1 3.66Å |
| 1101 | L | 78.1 | Confident | 86 | Confident | 61 Ų | 61 | 49 Ų | 49 | 32% | 0.319 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -123.4 | 79.7 | -174.5 | -69.3 | 163.2 | 0 | 0 | 0 | 108.9 | I1097 F1136 F1139 | I1097-L1101 HydrophobicContact CG2-CD1 4.36Å; I1097-L1101 PolarHBondContact O-N 2.89Å; L1101-F1136 HydrophobicContact CD1-CD2 3.86Å; L1101-F1136 HydrophobicContact CD1-CE2 4.48Å; L1101-F1139 HydrophobicContact CD1-CD2 4.34Å; L1101-F1139 HydrophobicContact CD1-CE1 4.04Å; L1101-F1139 HydrophobicContact CD1-CE2 3.53Å; L1101-F1139 HydrophobicContact CD1-CZ 3.36Å; L1101-F1139 HydrophobicContact CD2-CE1 3.84Å; L1101-F1139 HydrophobicContact CD2-CE2 4.44Å; L1101-F1139 HydrophobicContact CD2-CZ 3.47Å; L1101-F1139 VanDerWaalsContact CD2-CZ 3.47Å; L1101-F1139 HydrophobicContact CG-CZ 4.06Å |
| 1102 | P | 75.7 | Confident | 86 | Confident | 98 Ų | 98 | 47.9 Ų | 47.9 | 64% | 0.636 | 25% | 0.253 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 140.3 | 171.3 | 25.9 | -31.3 | 0 | 0 | 0 | 109.8 | M1100 | M1100-P1102 WeakPolarHBondContact O-CD 3.39Š|
| 1103 | S | 78.4 | Confident | 86.2 | Confident | 14 Ų | 14 | 47 Ų | 47 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -60 | 150.4 | 175.3 | -178.9 | 0 | 0 | 0 | 0 | 111 | K56 H58 G1105 G1106 | K56-S1103 PolarHBondContact O-OG 2.82Å; H58-S1103 VanDerWaalsContact CG-CB 3.47Å; H58-S1103 PolarHBondContact N-OG 2.68Å; H58-S1103 WeakPolarHBondContact ND1-CB 3.26Å; S1103-G1105 PolarHBondContact O-N 2.73Å; S1103-G1106 WeakPolarHBondContact O-CA 3.36Å; S1103-G1106 PolarHBondContact O-N 3.3Å |
| 1104 | A | 75.2 | Confident | 86.3 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 26% | 0.264 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -52 | 138.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | V55 L57 G1106 | V55-A1104 HydrophobicContact CG1-CB 3.54Å; L57-A1104 HydrophobicContact CD2-CB 3.8Å; L57-A1104 WeakPolarHBondContact CD2-O 3.49Å; A1104-G1106 VanDerWaalsContact C-N 3.34Å |
| 1105 | G | 74.7 | Confident | 86.4 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | 87.6 | -7.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L104 T115 K118 S1103 L1107 | L104-G1105 WeakPolarHBondContact CD2-O 3.15Å; T115-G1105 WeakPolarHBondContact OG1-CA 3.34Å; T115-G1105 PolarHBondContact OG1-N 3.32Å; K118-G1105 WeakPolarHBondContact CD-O 3.47Å; S1103-G1105 PolarHBondContact O-N 2.73Å; G1105-L1107 PolarHBondContact O-N 2.84Å |
| 1106 | G | 82 | Confident | 86.3 | Confident | 45 Ų | 45 | 43.7 Ų | 43.7 | 46% | 0.464 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | 61.3 | 30.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K118 S1103 A1104 | K118-G1106 PolarHBondContact NZ-O 2.67Å; S1103-G1106 WeakPolarHBondContact O-CA 3.36Å; S1103-G1106 PolarHBondContact O-N 3.3Å; A1104-G1106 VanDerWaalsContact C-N 3.34Å |
| 1107 | L | 88.6 | Confident | 86.1 | Confident | 7 Ų | 7 | 40.1 Ų | 40.1 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | trans | -75.2 | 136.8 | -177 | -65.5 | 172.3 | 0 | 0 | 0 | 111.1 | L57 H58 A59 E102 L104 G1105 H1109 | L57-L1107 HydrophobicContact CB-CD1 3.9Å; L57-L1107 HydrophobicContact CD2-CD1 4.24Å; H58-L1107 HydrophobicContact CB-CB 4.04Å; A59-L1107 HydrophobicContact CB-CD1 3.67Å; E102-L1107 HydrophobicContact CB-CD2 4.14Å; E102-L1107 VanDerWaalsContact CD-CD2 3.42Å; E102-L1107 HydrophobicContact CG-CD2 4.38Å; E102-L1107 WeakPolarHBondContact OE1-CD2 3.25Å; E102-L1107 WeakPolarHBondContact OE2-CD2 3.4Å; L104-L1107 HydrophobicContact CD1-CD1 3.93Å; L104-L1107 HydrophobicContact CD1-CD2 4.04Å; L104-L1107 HydrophobicContact CD1-CG 4.1Å; L104-L1107 HydrophobicContact CD2-CD2 4.06Å; L104-L1107 HydrophobicContact CG-CD2 4.37Å; G1105-L1107 PolarHBondContact O-N 2.84Å; L1107-H1109 PolarHBondContact O-N 2.61Å | ||
| 1108 | N | 90.2 | Very high | 85.7 | Confident | 96 Ų | 96 | 44.8 Ų | 44.8 | 51% | 0.513 | 26% | 0.257 | S | S | . | . | trans | -82.9 | 119.2 | -175.3 | -175.5 | -77.5 | 0 | 0 | 0 | 110.8 | G1110 R1111 W1112 | N1108-G1110 VanDerWaalsContact C-N 3.34Å; N1108-G1110 PolarHBondContact O-N 2.72Å; N1108-G1110 WeakPolarHBondContact OD1-CA 3.17Å; N1108-G1110 PolarHBondContact OD1-N 3.18Å; N1108-R1111 HydrophobicContact CB-CB 4.08Å; N1108-R1111 PolarHBondContact O-N 3.15Å; N1108-R1111 PolarHBondContact OD1-N 2.83Å; N1108-W1112 PolarHBondContact O-N 3.09Å | ||
| 1109 | H | 92.6 | Very high | 85.2 | Confident | 8 Ų | 8 | 47.2 Ų | 47.2 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.6 | -42.1 | 178.2 | 177.6 | -91.7 | 0 | 0 | 0 | 113.5 | H58 I1098 L1107 R1111 W1112 R1113 D1129 | H58-H1109 AromaticContact CE1-CD2 3.82Å; H58-H1109 WeakPolarHBondContact ND1-CB 3.23Å; H58-H1109 AromaticContact ND1-CD2 3.94Å; I1098-H1109 HydrophobicContact CD1-CB 3.74Å; I1098-H1109 VanDerWaalsContact CD1-CG 3.44Å; I1098-H1109 VanDerWaalsContact CD1-ND1 3.3Å; I1098-H1109 WeakPolarHBondContact CD1-ND1 3.41Å; I1098-H1109 HydrophobicContact CG1-CB 4.09Å; I1098-H1109 HydrophobicContact CG2-CB 4.06Å; L1107-H1109 PolarHBondContact O-N 2.61Å; H1109-R1111 VanDerWaalsContact C-N 3.35Å; H1109-R1111 PolarHBondContact O-N 3.25Å; H1109-W1112 WeakPolarHBondContact O-CB 3.26Å; H1109-W1112 PolarHBondContact O-N 3.45Å; H1109-R1113 WeakPolarHBondContact NE2-CG 3.42Å; H1109-R1113 PolarHBondContact O-N 2.85Å; H1109-D1129 IonicContact CD2-OD2 2.69Å; H1109-D1129 IonicContact CE1-OD2 2.56Å; H1109-D1129 IonicContact NE2-OD2 3.94Å; H1109-D1129 PolarHBondContact NE2-OD2 2.77Å |
| 1110 | G | 92.2 | Very high | 85.1 | Confident | 34 Ų | 34 | 40.5 Ų | 40.5 | 35% | 0.351 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1108 A1114 | N1108-G1110 VanDerWaalsContact C-N 3.34Å; N1108-G1110 PolarHBondContact O-N 2.72Å; N1108-G1110 WeakPolarHBondContact OD1-CA 3.17Å; N1108-G1110 PolarHBondContact OD1-N 3.18Å; G1110-A1114 VanDerWaalsContact O-CB 3.24Å; G1110-A1114 WeakPolarHBondContact O-CB 3.5Å; G1110-A1114 PolarHBondContact O-N 2.81Å |
| 1111 | R | 91.5 | Very high | 85.4 | Confident | 58 Ų | 58 | 42.9 Ų | 42.9 | 22% | 0.219 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 173 | -176.6 | 177.7 | 175.3 | 74.3 | 3.8 | 111.5 | K100 G122 E123 N1108 H1109 | K100-R1111 WeakPolarHBondContact CD-O 3.37Å; K100-R1111 PolarHBondContact NZ-O 3.45Å; K100-R1111 PolarHBondContact O-NH2 2.93Å; G122-R1111 PolarHBondContact O-NH2 2.96Å; G122-R1111 VanDerWaalsContact O-NH2 3.1Å; E123-R1111 VanDerWaalsContact C-NH2 3.3Å; E123-R1111 VanDerWaalsContact O-CZ 3.25Å; E123-R1111 PolarHBondContact O-NH1 3.27Å; E123-R1111 PolarHBondContact O-NH2 3.02Å; N1108-R1111 HydrophobicContact CB-CB 4.08Å; N1108-R1111 PolarHBondContact O-N 3.15Å; N1108-R1111 PolarHBondContact OD1-N 2.83Å; H1109-R1111 VanDerWaalsContact C-N 3.35Å; H1109-R1111 PolarHBondContact O-N 3.25Å |
| 1112 | W | 92.1 | Very high | 86 | Confident | 7 Ų | 7 | 42.9 Ų | 42.9 | 3% | 0.027 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.1 | -53.5 | 176.9 | 172.5 | -131.9 | 0 | 0 | 0 | 112.1 | H58 R60 K100 H1038 G1040 N1108 H1109 A1114 | H58-W1112 HydrophobicContact CB-CB 3.92Å; H58-W1112 HydrophobicContact CB-CG 3.95Å; H58-W1112 VanDerWaalsContact O-CB 3.24Å; H58-W1112 WeakPolarHBondContact O-CB 3.24Å; R60-W1112 HydrophobicContact CB-CH2 3.98Å; R60-W1112 HydrophobicContact CB-CZ3 4.1Å; R60-W1112 VanDerWaalsContact N-CZ3 3.27Å; K100-W1112 PolarHBondContact NZ-O 3.02Å; H1038-W1112 AromaticContact CD2-CE3 3.92Å; H1038-W1112 AromaticContact CD2-CZ3 3.69Å; H1038-W1112 PolarHBondContact CD2-O 3.28Å; H1038-W1112 AromaticContact NE2-CZ3 3.62Å; G1040-W1112 VanDerWaalsContact CA-CH2 3.46Å; N1108-W1112 PolarHBondContact O-N 3.09Å; H1109-W1112 WeakPolarHBondContact O-CB 3.26Å; H1109-W1112 PolarHBondContact O-N 3.45Å; W1112-A1114 PolarHBondContact O-N 3.45Å |
| 1113 | R | 94.9 | Very high | 86.8 | Confident | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -83.5 | -5.1 | -177.2 | -61.6 | -54.7 | -165.7 | -178.9 | 4.6 | 114.7 | F1037 H1038 L1039 H1109 F1115 D1129 D1131 | F1037-R1113 HydrophobicContact CD2-CB 4.31Å; F1037-R1113 HydrophobicContact CE2-CB 4.08Å; F1037-R1113 HydrophobicContact CE2-CG 3.87Å; F1037-R1113 VanDerWaalsContact CZ-CD 3.48Å; F1037-R1113 HydrophobicContact CZ-CG 4.26Å; H1038-R1113 PolarHBondContact N-O 3.45Å; H1038-R1113 WeakPolarHBondContact O-CD 3.5Å; H1038-R1113 PolarHBondContact O-NH1 3.12Å; H1038-R1113 VanDerWaalsContact O-NH1 3.14Å; L1039-R1113 PolarHBondContact O-NH1 2.77Å; H1109-R1113 WeakPolarHBondContact NE2-CG 3.42Å; H1109-R1113 PolarHBondContact O-N 2.85Å; R1113-F1115 PolarHBondContact O-N 2.64Å; R1113-D1129 IonicContact CZ-OD2 3.72Å; R1113-D1129 IonicContact NE-OD2 3.97Å; R1113-D1129 PolarHBondContact NE-OD2 3.05Å; R1113-D1129 IonicContact NH2-OD1 2.85Å; R1113-D1129 PolarHBondContact NH2-OD1 2.65Å; R1113-D1129 IonicContact NH2-OD2 2.68Å; R1113-D1129 PolarHBondContact NH2-OD2 3.16Å; R1113-D1129 VanDerWaalsContact NH2-OD2 3.08Å; R1113-D1131 IonicContact NH2-OD2 3.36Å; R1113-D1131 PolarHBondContact NH2-OD2 3.03Å |
| 1114 | A | 93.6 | Very high | 87.5 | Confident | 25 Ų | 25 | 43.3 Ų | 43.3 | 21% | 0.207 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -62.1 | 130.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | K100 H1038 G1110 W1112 | K100-A1114 PolarHBondContact NZ-O 2.81Å; H1038-A1114 VanDerWaalsContact CB-O 3.29Å; H1038-A1114 WeakPolarHBondContact CB-O 3.38Å; G1110-A1114 VanDerWaalsContact O-CB 3.24Å; G1110-A1114 WeakPolarHBondContact O-CB 3.5Å; G1110-A1114 PolarHBondContact O-N 2.81Å; W1112-A1114 PolarHBondContact O-N 3.45Å |
| 1115 | F | 92.3 | Very high | 88.3 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 130.5 | 179 | 178.7 | -78.3 | 0 | 0 | 0 | 110.3 | N1012 C1014 Y1036 R1113 R1121 H1122 | N1012-F1115 HydrophobicContact CB-CD2 3.49Å; N1012-F1115 VanDerWaalsContact CB-CD2 3.49Å; N1012-F1115 HydrophobicContact CB-CE2 3.35Å; N1012-F1115 HydrophobicContact CB-CG 4.5Å; N1012-F1115 HydrophobicContact CB-CZ 4.27Å; C1014-F1115 HydrophobicContact CB-CE2 4.41Å; Y1036-F1115 HydrophobicContact CD1-CB 4.36Å; Y1036-F1115 HydrophobicContact CD1-CD1 4.02Å; Y1036-F1115 AromaticContact CD1-CD2 3.79Å; Y1036-F1115 HydrophobicContact CD1-CD2 3.79Å; Y1036-F1115 HydrophobicContact CD1-CE1 4.29Å; Y1036-F1115 HydrophobicContact CD1-CE2 4.06Å; Y1036-F1115 AromaticContact CD1-CG 3.79Å; Y1036-F1115 HydrophobicContact CD1-CG 3.79Å; Y1036-F1115 HydrophobicContact CD1-CZ 4.32Å; Y1036-F1115 HydrophobicContact CG-CB 4.44Å; Y1036-F1115 HydrophobicContact CG-CD2 4.46Å; Y1036-F1115 HydrophobicContact CG-CG 4.34Å; R1113-F1115 PolarHBondContact O-N 2.64Å; F1115-R1121 WeakPolarHBondContact O-CA 3.42Å; F1115-H1122 HydrophobicContact CB-CB 4.21Å; F1115-H1122 PolarHBondContact N-O 2.98Å; F1115-H1122 PolarHBondContact O-N 2.82Å; F1115-H1122 VanDerWaalsContact O-N 3.07Å |
| 1116 | E | 89.1 | Confident | 89.2 | Confident | 14 Ų | 14 | 47.8 Ų | 47.8 | 7% | 0.065 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 124.1 | 179.1 | -171.5 | 166.8 | -158.7 | 0 | 0 | 110.1 | Y124 T125 F128 F1010 N1012 R1121 | Y124-E1116 WeakPolarHBondContact CA-OE1 3.23Å; Y124-E1116 VanDerWaalsContact CB-OE1 3.24Å; Y124-E1116 WeakPolarHBondContact CB-OE1 3.22Å; T125-E1116 WeakPolarHBondContact CB-OE2 3.37Å; T125-E1116 PolarHBondContact N-OE1 2.74Å; T125-E1116 PolarHBondContact N-OE2 3.22Å; T125-E1116 PolarHBondContact OG1-OE2 2.87Å; F128-E1116 HydrophobicContact CZ-CG 4.33Å; F1010-E1116 WeakPolarHBondContact CB-O 3.32Å; N1012-E1116 PolarHBondContact ND2-O 3.45Å; E1116-R1121 HydrophobicContact CG-CG 4.42Å; E1116-R1121 IonicContact OE1-NE 3.59Å |
| 1117 | S | 84.3 | Confident | 89.9 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | trans | -127.6 | 176.2 | 169.1 | 77.1 | 0 | 0 | 0 | 0 | 109.8 | S1119 T1120 | S1117-S1119 PolarHBondContact O-N 2.91Å; S1117-S1119 VanDerWaalsContact O-N 3.15Å; S1117-S1119 PolarHBondContact OG-N 3.14Å; S1117-T1120 PolarHBondContact N-O 2.8Å; S1117-T1120 PolarHBondContact OG-N 3.05Å; S1117-T1120 PolarHBondContact OG-O 2.85Å; S1117-T1120 PolarHBondContact OG-OG1 2.9Å | ||
| 1118 | C | 77.6 | Confident | 90.2 | Very high | 101 Ų | 101 | 45.5 Ų | 45.5 | 68% | 0.682 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -55.1 | -31.3 | 175.1 | -71.1 | 0 | 0 | 0 | 0 | 113.8 | F1010 | F1010-C1118 WeakPolarHBondContact CE1-SG 3.33Å; F1010-C1118 HydrophobicContact CZ-CB 4.22Å; F1010-C1118 WeakPolarHBondContact CZ-SG 2.85Å |
| 1119 | S | 78.1 | Confident | 90.4 | Very high | 91 Ų | 91 | 41 Ų | 41 | 64% | 0.636 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -115.1 | -25.4 | -170.9 | 57 | 0 | 0 | 0 | 0 | 114.4 | S1117 | S1117-S1119 PolarHBondContact O-N 2.91Å; S1117-S1119 VanDerWaalsContact O-N 3.15Å; S1117-S1119 PolarHBondContact OG-N 3.14Å |
| 1120 | T | 83.8 | Confident | 90.5 | Very high | 52 Ų | 52 | 40.7 Ų | 40.7 | 32% | 0.319 | 23% | 0.229 | S | C | . | . | trans | -134.7 | 147 | -169.8 | 55 | 0 | 0 | 0 | 0 | 111.7 | S1117 | S1117-T1120 PolarHBondContact N-O 2.8Å; S1117-T1120 PolarHBondContact OG-N 3.05Å; S1117-T1120 PolarHBondContact OG-O 2.85Å; S1117-T1120 PolarHBondContact OG-OG1 2.9Å | ||
| 1121 | R | 87.2 | Confident | 90.4 | Very high | 130 Ų | 130 | 40.9 Ų | 40.9 | 49% | 0.491 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 131.2 | 179.6 | -61.7 | 177.6 | -176.3 | 151.5 | 0.3 | 108.4 | Y124 F1115 E1116 | Y124-R1121 VanDerWaalsContact CD2-NH1 3.34Å; Y124-R1121 VanDerWaalsContact CE1-NH1 3.27Å; Y124-R1121 VanDerWaalsContact CG-NH2 3.32Å; F1115-R1121 WeakPolarHBondContact O-CA 3.42Å; E1116-R1121 HydrophobicContact CG-CG 4.42Å; E1116-R1121 IonicContact OE1-NE 3.59Å |
| 1122 | H | 90.7 | Very high | 90.4 | Very high | 61 Ų | 61 | 38.5 Ų | 38.5 | 28% | 0.282 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 143.6 | 179.3 | -69.3 | -87.9 | 0 | 0 | 0 | 109.7 | Y1036 F1115 | Y1036-H1122 HydrophobicContact CD1-CB 4.1Å; Y1036-H1122 AromaticContact CD1-CD2 3.86Å; Y1036-H1122 HydrophobicContact CD2-CB 3.82Å; Y1036-H1122 AromaticContact CD2-CG 3.8Å; Y1036-H1122 AromaticContact CE1-CD2 3.54Å; Y1036-H1122 AromaticContact CE1-CG 4Å; Y1036-H1122 AromaticContact CE1-NE2 3.93Å; Y1036-H1122 HydrophobicContact CE2-CB 4.33Å; Y1036-H1122 AromaticContact CE2-CE1 3.99Å; Y1036-H1122 AromaticContact CE2-CG 3.79Å; Y1036-H1122 AromaticContact CE2-ND1 3.74Å; Y1036-H1122 HydrophobicContact CG-CB 3.69Å; Y1036-H1122 AromaticContact CG-CG 3.92Å; Y1036-H1122 AromaticContact CZ-CD2 3.65Å; Y1036-H1122 AromaticContact CZ-CE1 3.87Å; Y1036-H1122 AromaticContact CZ-CG 3.88Å; Y1036-H1122 AromaticContact CZ-ND1 3.99Å; Y1036-H1122 AromaticContact CZ-NE2 3.67Å; F1115-H1122 HydrophobicContact CB-CB 4.21Å; F1115-H1122 PolarHBondContact N-O 2.98Å; F1115-H1122 PolarHBondContact O-N 2.82Å; F1115-H1122 VanDerWaalsContact O-N 3.07Å |
| 1123 | S | 92.7 | Very high | 90.3 | Very high | 78 Ų | 78 | 38.2 Ų | 38.2 | 55% | 0.545 | 21% | 0.213 | S | C | . | . | trans | -61.5 | 160.8 | 161.4 | 48.4 | 0 | 0 | 0 | 0 | 109.8 | E1125 | S1123-E1125 PolarHBondContact O-N 2.86Š| ||
| 1124 | V | 93.3 | Very high | 89.8 | Confident | 42 Ų | 42 | 39 Ų | 39 | 26% | 0.255 | 22% | 0.217 | S | C | . | . | trans | -56.5 | 128.7 | 171.5 | 62.4 | 0 | 0 | 0 | 0 | 110.1 | Y1036 F1037 F1127 | Y1036-V1124 WeakPolarHBondContact O-CA 3.48Å; F1037-V1124 HydrophobicContact CD2-CG2 3.83Å; V1124-F1127 HydrophobicContact CG2-CB 4.09Å | ||
| 1125 | E | 93.6 | Very high | 89.2 | Confident | 83 Ų | 83 | 40.1 Ų | 40.1 | 39% | 0.388 | 22% | 0.224 | S | C | . | . | B | Isolated β-bridge | trans | -138.5 | 132.4 | -178.4 | -76 | -175.4 | -173.5 | 0 | 0 | 110.2 | G1035 Y1036 S1123 F1127 | G1035-E1125 VanDerWaalsContact CA-O 3.25Å; G1035-E1125 WeakPolarHBondContact CA-O 3.33Å; Y1036-E1125 HydrophobicContact CD2-CB 4.27Å; Y1036-E1125 PolarHBondContact N-O 2.81Å; Y1036-E1125 PolarHBondContact O-N 3.32Å; S1123-E1125 PolarHBondContact O-N 2.86Å; E1125-F1127 VanDerWaalsContact O-CD2 3.3Å; E1125-F1127 WeakPolarHBondContact O-CD2 3.36Å; E1125-F1127 PolarHBondContact O-N 3.04Å; E1125-F1127 VanDerWaalsContact O-N 3.15Å |
| 1126 | R | 93.2 | Very high | 88.6 | Confident | 44 Ų | 44 | 39.9 Ų | 39.9 | 17% | 0.166 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 58.4 | 18.5 | 178.7 | -54.2 | -168.2 | -178.2 | 176.6 | 1.1 | 115.9 | M1 S2 Y3 N4 E1017 S1034 | M1-R1126 PolarHBondContact SD-NH2 3.17Å; S2-R1126 WeakPolarHBondContact O-CD 3.41Å; Y3-R1126 HydrophobicContact CD1-CB 4.28Å; Y3-R1126 HydrophobicContact CD1-CG 4.33Å; Y3-R1126 HydrophobicContact CE1-CG 4.4Å; N4-R1126 PolarHBondContact N-O 3.44Å; E1017-R1126 IonicContact OE1-CZ 2.89Å; E1017-R1126 IonicContact OE1-NH1 2.78Å; E1017-R1126 PolarHBondContact OE1-NH1 3.15Å; E1017-R1126 IonicContact OE1-NH2 2.76Å; E1017-R1126 IonicContact OE2-NH1 2.77Å; S1034-R1126 WeakPolarHBondContact O-CD 3.1Å; S1034-R1126 WeakPolarHBondContact O-CG 3.21Å; S1034-R1126 PolarHBondContact O-NE 3.31Å; S1034-R1126 PolarHBondContact OG-NH1 3.4Å |
| 1127 | F | 95.8 | Very high | 87.9 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 137.2 | 175.3 | -80.2 | -85.5 | 0 | 0 | 0 | 111 | N4 V6 L1005 F1013 F1037 V1079 V1124 E1125 | N4-F1127 HydrophobicContact CB-CD1 3.52Å; N4-F1127 HydrophobicContact CB-CE1 3.43Å; N4-F1127 VanDerWaalsContact CB-CE1 3.43Å; N4-F1127 HydrophobicContact CB-CG 4.22Å; N4-F1127 HydrophobicContact CB-CZ 4.06Å; N4-F1127 CarbonylContact O-C 3.54Å; N4-F1127 WeakPolarHBondContact O-CA 3.43Å; V6-F1127 HydrophobicContact CG2-CD1 3.38Å; V6-F1127 HydrophobicContact CG2-CE1 3.53Å; L1005-F1127 HydrophobicContact CD1-CZ 4.17Å; F1013-F1127 HydrophobicContact CB-CZ 4.23Å; F1037-F1127 HydrophobicContact CB-CB 3.92Å; F1037-F1127 HydrophobicContact CB-CD1 4.08Å; F1037-F1127 HydrophobicContact CB-CD2 3.56Å; F1037-F1127 HydrophobicContact CB-CE1 4.5Å; F1037-F1127 HydrophobicContact CB-CE2 4.04Å; F1037-F1127 HydrophobicContact CB-CG 3.59Å; F1037-F1127 HydrophobicContact CB-CZ 4.48Å; F1037-F1127 HydrophobicContact CD2-CB 3.63Å; F1037-F1127 HydrophobicContact CD2-CG 4.17Å; F1037-F1127 HydrophobicContact CE2-CB 4.42Å; F1037-F1127 HydrophobicContact CG-CB 4.04Å; F1037-F1127 HydrophobicContact CG-CD1 4.3Å; F1037-F1127 HydrophobicContact CG-CD2 4.5Å; F1037-F1127 HydrophobicContact CG-CG 4.05Å; V1079-F1127 HydrophobicContact CG1-CE1 4.33Å; V1124-F1127 HydrophobicContact CG2-CB 4.09Å; E1125-F1127 VanDerWaalsContact O-CD2 3.3Å; E1125-F1127 WeakPolarHBondContact O-CD2 3.36Å; E1125-F1127 PolarHBondContact O-N 3.04Å; E1125-F1127 VanDerWaalsContact O-N 3.15Å |
| 1128 | V | 95.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.5 | 167.1 | 175.1 | 0 | 0 | 0 | 0 | 108.6 | N4 Y5 V6 I1082 F1087 L1090 G1130 I1133 | N4-V1128 PolarHBondContact O-N 2.91Å; Y5-V1128 HydrophobicContact CD2-CB 4.15Å; Y5-V1128 HydrophobicContact CD2-CG1 3.92Å; Y5-V1128 HydrophobicContact CE2-CG1 4.24Å; V6-V1128 PolarHBondContact N-O 2.84Å; I1082-V1128 HydrophobicContact CD1-CG2 4.46Å; F1087-V1128 HydrophobicContact CD2-CG2 3.53Å; F1087-V1128 HydrophobicContact CE2-CG2 3.64Å; F1087-V1128 HydrophobicContact CG-CG2 4.5Å; L1090-V1128 HydrophobicContact CB-CG1 3.94Å; L1090-V1128 HydrophobicContact CB-CG2 4.19Å; V1128-G1130 PolarHBondContact O-N 2.89Å; V1128-I1133 HydrophobicContact CG1-CG1 4.2Å |
| 1129 | D | 95.3 | Very high | 87 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 100.4 | 176.9 | -168.5 | -9.5 | 0 | 0 | 0 | 110.3 | F1037 H1109 R1113 D1131 V1132 I1133 | F1037-D1129 HydrophobicContact CE2-CB 4.31Å; H1109-D1129 IonicContact CD2-OD2 2.69Å; H1109-D1129 IonicContact CE1-OD2 2.56Å; H1109-D1129 IonicContact NE2-OD2 3.94Å; H1109-D1129 PolarHBondContact NE2-OD2 2.77Å; R1113-D1129 IonicContact CZ-OD2 3.72Å; R1113-D1129 IonicContact NE-OD2 3.97Å; R1113-D1129 PolarHBondContact NE-OD2 3.05Å; R1113-D1129 IonicContact NH2-OD1 2.85Å; R1113-D1129 PolarHBondContact NH2-OD1 2.65Å; R1113-D1129 IonicContact NH2-OD2 2.68Å; R1113-D1129 PolarHBondContact NH2-OD2 3.16Å; R1113-D1129 VanDerWaalsContact NH2-OD2 3.08Å; D1129-D1131 VanDerWaalsContact C-N 3.28Å; D1129-D1131 PolarHBondContact O-N 2.77Å; D1129-D1131 WeakPolarHBondContact OD1-CB 3.39Å; D1129-D1131 PolarHBondContact OD1-N 2.97Å; D1129-V1132 HydrophobicContact CB-CG2 4.19Å; D1129-V1132 PolarHBondContact O-N 2.77Å; D1129-I1133 PolarHBondContact O-N 2.81Å |
| 1130 | G | 93.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.4 | -28.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y5 V6 V1128 V1132 I1133 E1134 | Y5-G1130 VanDerWaalsContact CE2-CA 3.42Å; Y5-G1130 WeakPolarHBondContact OH-CA 3.42Å; V6-G1130 WeakPolarHBondContact O-CA 3.47Å; V6-G1130 PolarHBondContact O-N 2.87Å; V1128-G1130 PolarHBondContact O-N 2.89Å; G1130-V1132 PolarHBondContact O-N 2.89Å; G1130-I1133 PolarHBondContact O-N 2.9Å; G1130-I1133 VanDerWaalsContact O-N 3.13Å; G1130-E1134 WeakPolarHBondContact O-CB 3.28Å; G1130-E1134 WeakPolarHBondContact O-CG 3.29Å; G1130-E1134 PolarHBondContact O-N 3.39Å |
| 1131 | D | 90.5 | Very high | 86.2 | Confident | 39 Ų | 39 | 47.4 Ų | 47.4 | 21% | 0.209 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.1 | -36.8 | 177.6 | -60.1 | -24.6 | 0 | 0 | 0 | 110.9 | T8 R1113 D1129 S1135 | T8-D1131 WeakPolarHBondContact CB-OD1 3.04Å; T8-D1131 PolarHBondContact N-OD1 2.81Å; T8-D1131 PolarHBondContact OG1-OD2 3.46Å; R1113-D1131 IonicContact NH2-OD2 3.36Å; R1113-D1131 PolarHBondContact NH2-OD2 3.03Å; D1129-D1131 VanDerWaalsContact C-N 3.28Å; D1129-D1131 PolarHBondContact O-N 2.77Å; D1129-D1131 WeakPolarHBondContact OD1-CB 3.39Å; D1129-D1131 PolarHBondContact OD1-N 2.97Å; D1131-S1135 VanDerWaalsContact O-CB 3.27Å; D1131-S1135 WeakPolarHBondContact O-CB 3.18Å; D1131-S1135 PolarHBondContact O-N 3.26Å |
| 1132 | V | 91 | Very high | 85.7 | Confident | 8 Ų | 8 | 47 Ų | 47 | 5% | 0.048 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.1 | -44.2 | 176.7 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | Q1094 I1097 I1098 D1129 G1130 S1135 | Q1094-V1132 HydrophobicContact CG-CB 4.41Å; Q1094-V1132 HydrophobicContact CG-CG1 4.1Å; I1097-V1132 HydrophobicContact CB-CG1 4.04Å; I1097-V1132 HydrophobicContact CG2-CG1 3.65Å; I1098-V1132 HydrophobicContact CG1-CG1 3.99Å; D1129-V1132 HydrophobicContact CB-CG2 4.19Å; D1129-V1132 PolarHBondContact O-N 2.77Å; G1130-V1132 PolarHBondContact O-N 2.89Å; V1132-S1135 PolarHBondContact O-N 3.03Å; V1132-S1135 PolarHBondContact O-OG 2.76Å |
| 1133 | I | 90.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62 | -47.1 | 179.4 | -58.4 | -54.8 | 0 | 0 | 0 | 110.5 | Y5 L1090 L1093 Q1094 I1097 V1128 D1129 G1130 F1136 A1173 | Y5-I1133 HydrophobicContact CE2-CG1 4.44Å; L1090-I1133 HydrophobicContact CD2-CG2 4.42Å; L1093-I1133 HydrophobicContact CB-CD1 4.28Å; L1093-I1133 HydrophobicContact CD2-CD1 4.06Å; L1093-I1133 HydrophobicContact CD2-CG2 4.24Å; L1093-I1133 HydrophobicContact CG-CD1 4.02Å; Q1094-I1133 HydrophobicContact CB-CD1 3.92Å; I1097-I1133 HydrophobicContact CD1-CD1 4.05Å; V1128-I1133 HydrophobicContact CG1-CG1 4.2Å; D1129-I1133 PolarHBondContact O-N 2.81Å; G1130-I1133 PolarHBondContact O-N 2.9Å; G1130-I1133 VanDerWaalsContact O-N 3.13Å; I1133-F1136 PolarHBondContact O-N 2.84Å; I1133-A1173 HydrophobicContact CG2-CB 3.94Å |
| 1134 | E | 85.1 | Confident | 84.4 | Confident | 23 Ų | 23 | 44.8 Ų | 44.8 | 11% | 0.107 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -73.7 | -29.7 | -176.9 | -67.6 | -167.6 | -152.2 | 0 | 0 | 113.3 | Y5 V7 R737 G1130 F1136 L1137 S1177 H1180 | Y5-E1134 PolarHBondContact OH-OE1 3.03Å; V7-E1134 WeakPolarHBondContact CG2-OE1 3.42Å; R737-E1134 IonicContact CZ-OE2 3.56Å; R737-E1134 IonicContact NH1-OE2 3.48Å; R737-E1134 PolarHBondContact NH1-OE2 3.33Å; R737-E1134 IonicContact NH2-OE2 2.78Å; G1130-E1134 WeakPolarHBondContact O-CB 3.28Å; G1130-E1134 WeakPolarHBondContact O-CG 3.29Å; G1130-E1134 PolarHBondContact O-N 3.39Å; E1134-F1136 PolarHBondContact O-N 3.24Å; E1134-F1136 VanDerWaalsContact O-N 3.1Å; E1134-L1137 HydrophobicContact CG-CD1 4.26Å; E1134-L1137 WeakPolarHBondContact O-CB 3.33Å; E1134-L1137 PolarHBondContact O-N 3.02Å; E1134-S1177 WeakPolarHBondContact OE1-CA 3.47Å; E1134-H1180 IonicContact OE1-CE1 3.8Å; E1134-H1180 PolarHBondContact OE1-CE1 2.94Å; E1134-H1180 IonicContact OE1-ND1 3.38Å; E1134-H1180 IonicContact OE2-CE1 3.48Å; E1134-H1180 PolarHBondContact OE2-CE1 3.12Å; E1134-H1180 VanDerWaalsContact OE2-CE1 3.25Å; E1134-H1180 IonicContact OE2-NE2 3.62Å |
| 1135 | S | 80.9 | Confident | 83.7 | Confident | 50 Ų | 50 | 45.6 Ų | 45.6 | 35% | 0.35 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -56.7 | -26.9 | 172.1 | 75.2 | 0 | 0 | 0 | 0 | 112.7 | D1131 V1132 T1138 F1139 | D1131-S1135 VanDerWaalsContact O-CB 3.27Å; D1131-S1135 WeakPolarHBondContact O-CB 3.18Å; D1131-S1135 PolarHBondContact O-N 3.26Å; V1132-S1135 PolarHBondContact O-N 3.03Å; V1132-S1135 PolarHBondContact O-OG 2.76Å; S1135-T1138 PolarHBondContact O-OG1 3.3Å; S1135-F1139 WeakPolarHBondContact O-CD2 3.42Å; S1135-F1139 VanDerWaalsContact O-CE2 3.3Å; S1135-F1139 WeakPolarHBondContact O-CE2 3.22Å |
| 1136 | F | 78.6 | Confident | 83.3 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -85.8 | -21.2 | 179.9 | -170.6 | -106.7 | 0 | 0 | 0 | 112.9 | I1097 M1100 L1101 I1133 E1134 T1138 F1139 I1143 V1144 L1147 F1148 | I1097-F1136 HydrophobicContact CD1-CB 3.62Å; I1097-F1136 HydrophobicContact CD1-CD1 4.32Å; I1097-F1136 HydrophobicContact CD1-CG 4.04Å; I1097-F1136 HydrophobicContact CG1-CB 4.02Å; I1097-F1136 HydrophobicContact CG1-CD1 4.4Å; I1097-F1136 HydrophobicContact CG1-CD2 4.4Å; I1097-F1136 HydrophobicContact CG1-CG 4.01Å; I1097-F1136 HydrophobicContact CG2-CB 4.26Å; M1100-F1136 HydrophobicContact CE-CE2 3.76Å; M1100-F1136 HydrophobicContact CE-CZ 4.11Å; L1101-F1136 HydrophobicContact CD1-CD2 3.86Å; L1101-F1136 HydrophobicContact CD1-CE2 4.48Å; I1133-F1136 PolarHBondContact O-N 2.84Å; E1134-F1136 PolarHBondContact O-N 3.24Å; E1134-F1136 VanDerWaalsContact O-N 3.1Å; F1136-T1138 PolarHBondContact O-N 3.03Å; F1136-F1139 HydrophobicContact CD2-CD2 4.02Å; F1136-F1139 HydrophobicContact CD2-CE2 4.48Å; F1136-F1139 HydrophobicContact CD2-CG 4.24Å; F1136-F1139 HydrophobicContact CE2-CB 4.49Å; F1136-F1139 HydrophobicContact CE2-CG 4.37Å; F1136-F1139 WeakPolarHBondContact O-CB 3.34Å; F1136-F1139 PolarHBondContact O-N 3.3Å; F1136-I1143 HydrophobicContact CE2-CG2 4.16Å; F1136-I1143 HydrophobicContact CZ-CG2 4.12Å; F1136-V1144 HydrophobicContact CD1-CG2 4.4Å; F1136-V1144 HydrophobicContact CE1-CB 4.11Å; F1136-V1144 HydrophobicContact CE1-CG1 4.22Å; F1136-V1144 HydrophobicContact CE1-CG2 3.93Å; F1136-V1144 HydrophobicContact CZ-CG2 4.2Å; F1136-L1147 HydrophobicContact CD1-CD2 3.78Å; F1136-L1147 HydrophobicContact CD2-CD2 4.27Å; F1136-L1147 HydrophobicContact CE1-CB 3.78Å; F1136-L1147 HydrophobicContact CE1-CD2 3.27Å; F1136-L1147 HydrophobicContact CE1-CG 4.11Å; F1136-L1147 HydrophobicContact CE2-CD2 3.83Å; F1136-L1147 HydrophobicContact CG-CD2 4.25Å; F1136-L1147 HydrophobicContact CZ-CB 3.61Å; F1136-L1147 HydrophobicContact CZ-CD2 3.32Å; F1136-L1147 HydrophobicContact CZ-CG 4.04Å; F1136-F1148 HydrophobicContact CD1-CD2 4.32Å; F1136-F1148 AromaticContact CD1-CE2 3.55Å; F1136-F1148 HydrophobicContact CD1-CE2 3.55Å; F1136-F1148 HydrophobicContact CD1-CZ 4.37Å; F1136-F1148 AromaticContact CE1-CD2 3.84Å; F1136-F1148 HydrophobicContact CE1-CD2 3.84Å; F1136-F1148 AromaticContact CE1-CE2 3.5Å; F1136-F1148 HydrophobicContact CE1-CE2 3.5Å |
| 1137 | L | 74.6 | Confident | 82.6 | Confident | 44 Ų | 44 | 47.4 Ų | 47.4 | 23% | 0.23 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.3 | -17.3 | 177.2 | -64.9 | 176.5 | 0 | 0 | 0 | 112.9 | E1134 F1139 F1148 L1170 A1173 | E1134-L1137 HydrophobicContact CG-CD1 4.26Å; E1134-L1137 WeakPolarHBondContact O-CB 3.33Å; E1134-L1137 PolarHBondContact O-N 3.02Å; L1137-F1139 VanDerWaalsContact C-N 3.3Å; L1137-F1148 HydrophobicContact CD2-CZ 4.35Å; L1137-L1170 HydrophobicContact CD2-CD1 3.79Å; L1137-A1173 HydrophobicContact CD2-CB 4.18Å |
| 1138 | T | 70.8 | Confident | 82 | Confident | 120 Ų | 120 | 47.3 Ų | 47.3 | 74% | 0.736 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -6.3 | 177.1 | 62.6 | 0 | 0 | 0 | 0 | 113.3 | S1135 F1136 | S1135-T1138 PolarHBondContact O-OG1 3.3Å; F1136-T1138 PolarHBondContact O-N 3.03Å |
| 1139 | F | 72.2 | Confident | 81.4 | Confident | 73 Ų | 73 | 49.7 Ų | 49.7 | 32% | 0.32 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -79 | 158.8 | -178.5 | -79.6 | -103.6 | 0 | 0 | 0 | 112.7 | L1101 S1135 F1136 L1137 K1141 V1144 | L1101-F1139 HydrophobicContact CD1-CD2 4.34Å; L1101-F1139 HydrophobicContact CD1-CE1 4.04Å; L1101-F1139 HydrophobicContact CD1-CE2 3.53Å; L1101-F1139 HydrophobicContact CD1-CZ 3.36Å; L1101-F1139 HydrophobicContact CD2-CE1 3.84Å; L1101-F1139 HydrophobicContact CD2-CE2 4.44Å; L1101-F1139 HydrophobicContact CD2-CZ 3.47Å; L1101-F1139 VanDerWaalsContact CD2-CZ 3.47Å; L1101-F1139 HydrophobicContact CG-CZ 4.06Å; S1135-F1139 WeakPolarHBondContact O-CD2 3.42Å; S1135-F1139 VanDerWaalsContact O-CE2 3.3Å; S1135-F1139 WeakPolarHBondContact O-CE2 3.22Å; F1136-F1139 HydrophobicContact CD2-CD2 4.02Å; F1136-F1139 HydrophobicContact CD2-CE2 4.48Å; F1136-F1139 HydrophobicContact CD2-CG 4.24Å; F1136-F1139 HydrophobicContact CE2-CB 4.49Å; F1136-F1139 HydrophobicContact CE2-CG 4.37Å; F1136-F1139 WeakPolarHBondContact O-CB 3.34Å; F1136-F1139 PolarHBondContact O-N 3.3Å; L1137-F1139 VanDerWaalsContact C-N 3.3Å; F1139-K1141 PolarHBondContact O-N 2.93Å; F1139-V1144 HydrophobicContact CB-CG2 3.96Å |
| 1140 | P | 72.8 | Confident | 80.8 | Confident | 79 Ų | 79 | 52.6 Ų | 52.6 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | trans | -53.4 | 135.8 | 173.7 | -25.5 | 33.7 | 0 | 0 | 0 | 112.6 | D1142 I1143 V1144 | P1140-D1142 PolarHBondContact O-N 3.33Å; P1140-I1143 HydrophobicContact CG-CD1 4.44Å; P1140-I1143 PolarHBondContact O-N 2.84Å; P1140-V1144 PolarHBondContact O-N 2.76Å | ||
| 1141 | K | 73.2 | Confident | 80.1 | Confident | 113 Ų | 113 | 52.7 Ų | 52.7 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -50.7 | -34.7 | -173.2 | -67.8 | -173.9 | 179.3 | -175.9 | 0 | 114.1 | N691 F1139 I1143 V1144 A1145 | N691-K1141 WeakPolarHBondContact OD1-CE 3.29Å; N691-K1141 PolarHBondContact OD1-NZ 2.91Å; F1139-K1141 PolarHBondContact O-N 2.93Å; K1141-I1143 PolarHBondContact O-N 2.81Å; K1141-V1144 PolarHBondContact O-N 2.84Å; K1141-A1145 WeakPolarHBondContact O-CB 3.2Å; K1141-A1145 PolarHBondContact O-N 3.45Å |
| 1142 | D | 75.6 | Confident | 79.6 | Confident | 122 Ų | 122 | 51 Ų | 51 | 65% | 0.652 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.7 | -39.3 | -177.1 | -45.9 | -34.9 | 0 | 0 | 0 | 112.2 | P1140 K1146 | P1140-D1142 PolarHBondContact O-N 3.33Å; D1142-K1146 WeakPolarHBondContact O-CG 3.49Å; D1142-K1146 PolarHBondContact O-N 2.91Å |
| 1143 | I | 79.5 | Confident | 79.2 | Confident | 83 Ų | 83 | 57 Ų | 57 | 43% | 0.426 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -71.2 | -42.6 | 177.8 | -60.4 | 177.1 | 0 | 0 | 0 | 108.9 | F1136 P1140 K1141 K1146 L1147 | F1136-I1143 HydrophobicContact CE2-CG2 4.16Å; F1136-I1143 HydrophobicContact CZ-CG2 4.12Å; P1140-I1143 HydrophobicContact CG-CD1 4.44Å; P1140-I1143 PolarHBondContact O-N 2.84Å; K1141-I1143 PolarHBondContact O-N 2.81Å; I1143-K1146 PolarHBondContact O-N 2.73Å; I1143-L1147 PolarHBondContact O-N 3.05Å; I1143-L1147 VanDerWaalsContact O-N 3.09Å |
| 1144 | V | 77.9 | Confident | 78.8 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.6 | -58.9 | 175.9 | 176.6 | 0 | 0 | 0 | 0 | 110 | F1136 F1139 P1140 K1141 K1146 L1147 F1148 L1170 | F1136-V1144 HydrophobicContact CD1-CG2 4.4Å; F1136-V1144 HydrophobicContact CE1-CB 4.11Å; F1136-V1144 HydrophobicContact CE1-CG1 4.22Å; F1136-V1144 HydrophobicContact CE1-CG2 3.93Å; F1136-V1144 HydrophobicContact CZ-CG2 4.2Å; F1139-V1144 HydrophobicContact CB-CG2 3.96Å; P1140-V1144 PolarHBondContact O-N 2.76Å; K1141-V1144 PolarHBondContact O-N 2.84Å; V1144-K1146 VanDerWaalsContact C-N 3.28Å; V1144-K1146 PolarHBondContact O-N 2.96Å; V1144-K1146 VanDerWaalsContact O-N 3.16Å; V1144-L1147 PolarHBondContact O-N 3.28Å; V1144-F1148 HydrophobicContact CG1-CD2 3.66Å; V1144-F1148 HydrophobicContact CG1-CE2 3.52Å; V1144-F1148 HydrophobicContact CG1-CZ 4.47Å; V1144-F1148 WeakPolarHBondContact O-CD2 3.41Å; V1144-F1148 PolarHBondContact O-N 3.49Å; V1144-L1170 HydrophobicContact CG1-CD1 3.8Å |
| 1145 | A | 78.8 | Confident | 78.5 | Confident | 59 Ų | 59 | 60 Ų | 60 | 49% | 0.488 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -54.8 | -41.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K1141 A1149 | K1141-A1145 WeakPolarHBondContact O-CB 3.2Å; K1141-A1145 PolarHBondContact O-N 3.45Å; A1145-A1149 VanDerWaalsContact O-CB 3.26Å; A1145-A1149 WeakPolarHBondContact O-CB 3.16Å; A1145-A1149 PolarHBondContact O-N 2.74Å |
| 1146 | K | 83.6 | Confident | 78.6 | Confident | 157 Ų | 157 | 59.9 Ų | 59.9 | 68% | 0.683 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63 | -46 | 176.6 | -77.3 | 175.9 | -176.9 | 174.2 | 0 | 112.5 | D1142 I1143 V1144 E1150 | D1142-K1146 WeakPolarHBondContact O-CG 3.49Å; D1142-K1146 PolarHBondContact O-N 2.91Å; I1143-K1146 PolarHBondContact O-N 2.73Å; V1144-K1146 VanDerWaalsContact C-N 3.28Å; V1144-K1146 PolarHBondContact O-N 2.96Å; V1144-K1146 VanDerWaalsContact O-N 3.16Å; K1146-E1150 WeakPolarHBondContact O-CB 3.14Å; K1146-E1150 PolarHBondContact O-N 3.29Å |
| 1147 | L | 80.5 | Confident | 78.6 | Confident | 8 Ų | 8 | 65.2 Ų | 65.2 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.7 | -49.1 | -179.8 | -171.9 | 69.5 | 0 | 0 | 0 | 111 | L1093 R1096 I1097 M1100 F1136 I1143 V1144 A1149 E1150 V1151 | L1093-L1147 HydrophobicContact CD1-CD2 3.96Å; L1093-L1147 HydrophobicContact CD1-CG 4.47Å; R1096-L1147 HydrophobicContact CB-CD1 4.45Å; R1096-L1147 HydrophobicContact CG-CD1 3.45Å; R1096-L1147 VanDerWaalsContact CG-CD1 3.45Å; R1096-L1147 HydrophobicContact CG-CG 4.41Å; I1097-L1147 HydrophobicContact CG1-CD2 3.79Å; M1100-L1147 HydrophobicContact CE-CB 4.31Å; M1100-L1147 HydrophobicContact CE-CD1 3.4Å; M1100-L1147 HydrophobicContact CE-CD2 3.8Å; M1100-L1147 HydrophobicContact CE-CG 4.01Å; M1100-L1147 HydrophobicContact SD-CD1 3.66Å; F1136-L1147 HydrophobicContact CD1-CD2 3.78Å; F1136-L1147 HydrophobicContact CD2-CD2 4.27Å; F1136-L1147 HydrophobicContact CE1-CB 3.78Å; F1136-L1147 HydrophobicContact CE1-CD2 3.27Å; F1136-L1147 HydrophobicContact CE1-CG 4.11Å; F1136-L1147 HydrophobicContact CE2-CD2 3.83Å; F1136-L1147 HydrophobicContact CG-CD2 4.25Å; F1136-L1147 HydrophobicContact CZ-CB 3.61Å; F1136-L1147 HydrophobicContact CZ-CD2 3.32Å; F1136-L1147 HydrophobicContact CZ-CG 4.04Å; I1143-L1147 PolarHBondContact O-N 3.05Å; I1143-L1147 VanDerWaalsContact O-N 3.09Å; V1144-L1147 PolarHBondContact O-N 3.28Å; L1147-A1149 VanDerWaalsContact C-N 3.33Å; L1147-A1149 PolarHBondContact O-N 3.35Å; L1147-E1150 PolarHBondContact O-N 2.94Å; L1147-E1150 VanDerWaalsContact O-N 3.16Å; L1147-V1151 HydrophobicContact CG-CG2 4.47Å; L1147-V1151 WeakPolarHBondContact O-CG2 3.44Å; L1147-V1151 PolarHBondContact O-N 2.97Å |
| 1148 | F | 81.2 | Confident | 78.7 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 0% | 0.004 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.4 | -37.9 | -177 | -80.3 | -104.8 | 0 | 0 | 0 | 111.6 | L1093 F1136 L1137 V1144 V1151 A1152 G1166 V1169 L1170 A1173 | L1093-F1148 HydrophobicContact CD1-CE1 4.47Å; L1093-F1148 HydrophobicContact CD1-CE2 4.49Å; L1093-F1148 HydrophobicContact CD1-CZ 4.39Å; L1093-F1148 HydrophobicContact CD2-CE1 3.79Å; L1093-F1148 HydrophobicContact CD2-CZ 3.91Å; F1136-F1148 HydrophobicContact CD1-CD2 4.32Å; F1136-F1148 AromaticContact CD1-CE2 3.55Å; F1136-F1148 HydrophobicContact CD1-CE2 3.55Å; F1136-F1148 HydrophobicContact CD1-CZ 4.37Å; F1136-F1148 AromaticContact CE1-CD2 3.84Å; F1136-F1148 HydrophobicContact CE1-CD2 3.84Å; F1136-F1148 AromaticContact CE1-CE2 3.5Å; F1136-F1148 HydrophobicContact CE1-CE2 3.5Å; L1137-F1148 HydrophobicContact CD2-CZ 4.35Å; V1144-F1148 HydrophobicContact CG1-CD2 3.66Å; V1144-F1148 HydrophobicContact CG1-CE2 3.52Å; V1144-F1148 HydrophobicContact CG1-CZ 4.47Å; V1144-F1148 WeakPolarHBondContact O-CD2 3.41Å; V1144-F1148 PolarHBondContact O-N 3.49Å; F1148-V1151 PolarHBondContact O-N 3.29Å; F1148-A1152 VanDerWaalsContact O-CB 3.31Å; F1148-A1152 WeakPolarHBondContact O-CB 3.39Å; F1148-A1152 PolarHBondContact O-N 2.82Å; F1148-G1166 WeakPolarHBondContact O-CA 3.24Å; F1148-V1169 VanDerWaalsContact CD1-C 3.41Å; F1148-V1169 HydrophobicContact CD1-CB 3.55Å; F1148-V1169 HydrophobicContact CD1-CG1 3.34Å; F1148-V1169 VanDerWaalsContact CE1-C 3.48Å; F1148-V1169 HydrophobicContact CE1-CB 4.23Å; F1148-V1169 HydrophobicContact CE1-CG1 3.68Å; F1148-V1169 WeakPolarHBondContact CE1-O 3.26Å; F1148-V1169 HydrophobicContact CG-CG1 4.38Å; F1148-L1170 VanDerWaalsContact CD1-CA 3.48Å; F1148-L1170 HydrophobicContact CD1-CB 3.88Å; F1148-L1170 HydrophobicContact CE1-CB 4.07Å; F1148-L1170 HydrophobicContact CE1-CD1 4.25Å; F1148-L1170 HydrophobicContact CE2-CD1 4.28Å; F1148-L1170 HydrophobicContact CG-CB 4.38Å; F1148-L1170 HydrophobicContact CZ-CD1 4.02Å; F1148-A1173 HydrophobicContact CE1-CB 4.08Å; F1148-A1173 HydrophobicContact CZ-CB 4.18Å |
| 1149 | A | 83.6 | Confident | 78.8 | Confident | 50 Ų | 50 | 65.8 Ų | 65.8 | 41% | 0.413 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1145 L1147 A1152 R1153 | A1145-A1149 VanDerWaalsContact O-CB 3.26Å; A1145-A1149 WeakPolarHBondContact O-CB 3.16Å; A1145-A1149 PolarHBondContact O-N 2.74Å; L1147-A1149 VanDerWaalsContact C-N 3.33Å; L1147-A1149 PolarHBondContact O-N 3.35Å; A1149-A1152 PolarHBondContact O-N 2.71Å; A1149-R1153 WeakPolarHBondContact O-CB 3.46Å; A1149-R1153 PolarHBondContact O-N 3.18Å |
| 1150 | E | 82.3 | Confident | 78.9 | Confident | 65 Ų | 65 | 67.1 Ų | 67.1 | 30% | 0.304 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.7 | -40.9 | 177.8 | -176.7 | 62.5 | -174.2 | 0 | 0 | 112.1 | K1146 L1147 R1153 Q1154 | K1146-E1150 WeakPolarHBondContact O-CB 3.14Å; K1146-E1150 PolarHBondContact O-N 3.29Å; L1147-E1150 PolarHBondContact O-N 2.94Å; L1147-E1150 VanDerWaalsContact O-N 3.16Å; E1150-R1153 WeakPolarHBondContact O-CB 3.32Å; E1150-R1153 PolarHBondContact O-N 3.39Å; E1150-R1153 IonicContact OE1-CZ 3.03Å; E1150-R1153 IonicContact OE1-NE 3.02Å; E1150-R1153 IonicContact OE1-NH2 3.44Å; E1150-R1153 PolarHBondContact OE1-NH2 2.84Å; E1150-R1153 IonicContact OE2-CZ 2.78Å; E1150-R1153 IonicContact OE2-NE 2.64Å; E1150-R1153 PolarHBondContact OE2-NE 3Å; E1150-R1153 IonicContact OE2-NH2 3.91Å; E1150-Q1154 PolarHBondContact O-N 2.92Å |
| 1151 | V | 78.8 | Confident | 78.8 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.006 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63 | -45.4 | 174.7 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | T1092 L1093 R1096 L1147 F1148 R1153 Q1154 L1155 | T1092-V1151 HydrophobicContact CG2-CG1 4.28Å; L1093-V1151 HydrophobicContact CB-CG1 4.38Å; L1093-V1151 HydrophobicContact CD1-CG2 3.99Å; R1096-V1151 HydrophobicContact CB-CG2 4.26Å; R1096-V1151 HydrophobicContact CG-CG2 4.33Å; L1147-V1151 HydrophobicContact CG-CG2 4.47Å; L1147-V1151 WeakPolarHBondContact O-CG2 3.44Å; L1147-V1151 PolarHBondContact O-N 2.97Å; F1148-V1151 PolarHBondContact O-N 3.29Å; V1151-R1153 VanDerWaalsContact C-N 3.3Å; V1151-R1153 PolarHBondContact O-N 2.84Å; V1151-Q1154 PolarHBondContact O-N 2.97Å; V1151-L1155 HydrophobicContact CG1-CD1 3.68Å; V1151-L1155 HydrophobicContact CG1-CG 4.4Å; V1151-L1155 WeakPolarHBondContact O-CB 3.42Å; V1151-L1155 WeakPolarHBondContact O-CG 3.48Å; V1151-L1155 PolarHBondContact O-N 3.07Å |
| 1152 | A | 79.4 | Confident | 78.5 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 3% | 0.025 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1148 A1149 L1155 N1156 L1164 V1169 | F1148-A1152 VanDerWaalsContact O-CB 3.31Å; F1148-A1152 WeakPolarHBondContact O-CB 3.39Å; F1148-A1152 PolarHBondContact O-N 2.82Å; A1149-A1152 PolarHBondContact O-N 2.71Å; A1152-L1155 PolarHBondContact O-N 2.84Å; A1152-N1156 WeakPolarHBondContact O-CB 3.14Å; A1152-N1156 PolarHBondContact O-N 2.58Å; A1152-N1156 PolarHBondContact O-ND2 2.54Å; A1152-N1156 VanDerWaalsContact O-ND2 3.12Å; A1152-L1164 HydrophobicContact CB-CB 4.38Å; A1152-V1169 HydrophobicContact CB-CG2 4.16Å |
| 1153 | R | 83.8 | Confident | 78.3 | Confident | 134 Ų | 134 | 64.3 Ų | 64.3 | 51% | 0.506 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 175.3 | -170.2 | -174.7 | 74.8 | 84.6 | 2.5 | 111.7 | A1149 E1150 V1151 L1157 | A1149-R1153 WeakPolarHBondContact O-CB 3.46Å; A1149-R1153 PolarHBondContact O-N 3.18Å; E1150-R1153 WeakPolarHBondContact O-CB 3.32Å; E1150-R1153 PolarHBondContact O-N 3.39Å; E1150-R1153 IonicContact OE1-CZ 3.03Å; E1150-R1153 IonicContact OE1-NE 3.02Å; E1150-R1153 IonicContact OE1-NH2 3.44Å; E1150-R1153 PolarHBondContact OE1-NH2 2.84Å; E1150-R1153 IonicContact OE2-CZ 2.78Å; E1150-R1153 IonicContact OE2-NE 2.64Å; E1150-R1153 PolarHBondContact OE2-NE 3Å; E1150-R1153 IonicContact OE2-NH2 3.91Å; V1151-R1153 VanDerWaalsContact C-N 3.3Å; V1151-R1153 PolarHBondContact O-N 2.84Å; R1153-L1157 HydrophobicContact CG-CD1 4.44Å; R1153-L1157 VanDerWaalsContact O-CG 3.3Å; R1153-L1157 WeakPolarHBondContact O-CG 3.27Å; R1153-L1157 PolarHBondContact O-N 3.06Å; R1153-L1157 VanDerWaalsContact O-N 3.15Å |
| 1154 | Q | 82.2 | Confident | 78.3 | Confident | 75 Ų | 75 | 61.1 Ų | 61.1 | 35% | 0.35 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.9 | -45.6 | -180 | -168.5 | 177.1 | -8.1 | 0 | 0 | 111.5 | E1150 V1151 N1156 L1157 D1158 | E1150-Q1154 PolarHBondContact O-N 2.92Å; V1151-Q1154 PolarHBondContact O-N 2.97Å; Q1154-N1156 PolarHBondContact O-N 2.78Å; Q1154-L1157 WeakPolarHBondContact O-CB 3.44Å; Q1154-L1157 PolarHBondContact O-N 3.44Å; Q1154-L1157 VanDerWaalsContact O-N 3.1Å; Q1154-D1158 PolarHBondContact O-N 2.86Å |
| 1155 | L | 78.4 | Confident | 78.5 | Confident | 11 Ų | 11 | 63.2 Ų | 63.2 | 6% | 0.058 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 177.8 | -73 | 164.4 | 0 | 0 | 0 | 112.4 | I1089 T1092 V1151 A1152 L1157 D1158 D1159 | I1089-L1155 HydrophobicContact CB-CD1 4.13Å; I1089-L1155 HydrophobicContact CG1-CD1 4.04Å; I1089-L1155 HydrophobicContact CG2-CD1 4.02Å; T1092-L1155 HydrophobicContact CG2-CD2 4.15Å; T1092-L1155 HydrophobicContact CG2-CG 4.22Å; V1151-L1155 HydrophobicContact CG1-CD1 3.68Å; V1151-L1155 HydrophobicContact CG1-CG 4.4Å; V1151-L1155 WeakPolarHBondContact O-CB 3.42Å; V1151-L1155 WeakPolarHBondContact O-CG 3.48Å; V1151-L1155 PolarHBondContact O-N 3.07Å; A1152-L1155 PolarHBondContact O-N 2.84Å; L1155-L1157 PolarHBondContact O-N 2.98Å; L1155-D1158 PolarHBondContact O-N 3.06Å; L1155-D1159 PolarHBondContact O-N 2.82Å |
| 1156 | N | 81.7 | Confident | 78.5 | Confident | 49 Ų | 49 | 61.1 Ų | 61.1 | 26% | 0.262 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.2 | -24.6 | 175.1 | -70.4 | -26.3 | 0 | 0 | 0 | 112.7 | A1152 Q1154 P1160 L1163 L1164 | A1152-N1156 WeakPolarHBondContact O-CB 3.14Å; A1152-N1156 PolarHBondContact O-N 2.58Å; A1152-N1156 PolarHBondContact O-ND2 2.54Å; A1152-N1156 VanDerWaalsContact O-ND2 3.12Å; Q1154-N1156 PolarHBondContact O-N 2.78Å; N1156-P1160 WeakPolarHBondContact O-CA 3.17Å; N1156-L1163 PolarHBondContact OD1-N 3.13Å; N1156-L1164 PolarHBondContact ND2-O 2.59Å; N1156-L1164 PolarHBondContact OD1-N 2.67Å |
| 1157 | L | 79.9 | Confident | 78.2 | Confident | 112 Ų | 112 | 57 Ų | 57 | 59% | 0.586 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -77.4 | -42.2 | 173.9 | -75.9 | 164.5 | 0 | 0 | 0 | 111.5 | R1153 Q1154 L1155 | R1153-L1157 HydrophobicContact CG-CD1 4.44Å; R1153-L1157 VanDerWaalsContact O-CG 3.3Å; R1153-L1157 WeakPolarHBondContact O-CG 3.27Å; R1153-L1157 PolarHBondContact O-N 3.06Å; R1153-L1157 VanDerWaalsContact O-N 3.15Å; Q1154-L1157 WeakPolarHBondContact O-CB 3.44Å; Q1154-L1157 PolarHBondContact O-N 3.44Å; Q1154-L1157 VanDerWaalsContact O-N 3.1Å; L1155-L1157 PolarHBondContact O-N 2.98Å |
| 1158 | D | 76.6 | Confident | 78.3 | Confident | 116 Ų | 116 | 61 Ų | 61 | 62% | 0.62 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -71.6 | -37.6 | -179.6 | -68.4 | -25.3 | 0 | 0 | 0 | 111.5 | Q1154 L1155 | Q1154-D1158 PolarHBondContact O-N 2.86Å; L1155-D1158 PolarHBondContact O-N 3.06Å |
| 1159 | D | 73 | Confident | 78.3 | Confident | 60 Ų | 60 | 61 Ų | 61 | 32% | 0.321 | 34% | 0.342 | S | S | . | . | trans | -141.3 | 99.7 | 175.8 | -167 | -21 | 0 | 0 | 0 | 111 | L1155 S1161 F1162 | L1155-D1159 PolarHBondContact O-N 2.82Å; D1159-S1161 VanDerWaalsContact CG-OG 3.28Å; D1159-S1161 PolarHBondContact O-N 2.74Å; D1159-S1161 WeakPolarHBondContact OD1-CB 3.43Å; D1159-S1161 PolarHBondContact OD1-N 2.69Å; D1159-S1161 PolarHBondContact OD1-OG 3.09Å; D1159-F1162 HydrophobicContact CB-CD2 3.66Å; D1159-F1162 HydrophobicContact CB-CE2 3.93Å; D1159-F1162 PolarHBondContact O-N 2.91Å | ||
| 1160 | P | 73.2 | Confident | 78.2 | Confident | 101 Ų | 101 | 60.8 Ų | 60.8 | 66% | 0.656 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -60.9 | -13.8 | -176.4 | -23 | 32.2 | 0 | 0 | 0 | 115.1 | N1156 F1162 | N1156-P1160 WeakPolarHBondContact O-CA 3.17Å; P1160-F1162 VanDerWaalsContact C-N 3.3Å; P1160-F1162 PolarHBondContact O-N 2.87Å |
| 1161 | S | 71.5 | Confident | 78.1 | Confident | 87 Ų | 87 | 60.8 Ų | 60.8 | 61% | 0.608 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -71.2 | -23.9 | -178.7 | 65.6 | 0 | 0 | 0 | 0 | 113.5 | D1159 L1163 | D1159-S1161 VanDerWaalsContact CG-OG 3.28Å; D1159-S1161 PolarHBondContact O-N 2.74Å; D1159-S1161 WeakPolarHBondContact OD1-CB 3.43Å; D1159-S1161 PolarHBondContact OD1-N 2.69Å; D1159-S1161 PolarHBondContact OD1-OG 3.09Å; S1161-L1163 PolarHBondContact O-N 2.54Å |
| 1162 | F | 67.8 | Low | 78.3 | Confident | 25 Ų | 25 | 60.9 Ų | 60.9 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -69.6 | -25.6 | -170.2 | -90.3 | -94.2 | 0 | 0 | 0 | 114.4 | E1085 K1088 I1089 D1159 P1160 L1164 | E1085-F1162 HydrophobicContact CB-CE1 4.22Å; E1085-F1162 HydrophobicContact CB-CZ 4.48Å; E1085-F1162 HydrophobicContact CG-CD1 3.88Å; E1085-F1162 HydrophobicContact CG-CE1 3.16Å; E1085-F1162 HydrophobicContact CG-CZ 3.75Å; K1088-F1162 HydrophobicContact CB-CZ 4.48Å; K1088-F1162 HydrophobicContact CD-CZ 4.27Å; I1089-F1162 HydrophobicContact CD1-CD1 4.14Å; I1089-F1162 HydrophobicContact CD1-CE1 3.96Å; I1089-F1162 HydrophobicContact CG1-CD1 4.22Å; I1089-F1162 HydrophobicContact CG1-CE1 3.89Å; D1159-F1162 HydrophobicContact CB-CD2 3.66Å; D1159-F1162 HydrophobicContact CB-CE2 3.93Å; D1159-F1162 PolarHBondContact O-N 2.91Å; P1160-F1162 VanDerWaalsContact C-N 3.3Å; P1160-F1162 PolarHBondContact O-N 2.87Å; F1162-L1164 HydrophobicContact CB-CD1 3.69Å; F1162-L1164 HydrophobicContact CD1-CD1 3.37Å; F1162-L1164 HydrophobicContact CE1-CD1 4.41Å; F1162-L1164 HydrophobicContact CG-CD1 3.99Å; F1162-L1164 WeakPolarHBondContact O-CD1 3.33Å; F1162-L1164 PolarHBondContact O-N 2.82Å |
| 1163 | L | 71.6 | Confident | 78.5 | Confident | 144 Ų | 144 | 60.8 Ų | 60.8 | 75% | 0.754 | 33% | 0.333 | S | S | * | . | trans | 36.9 | 48.6 | 178.5 | -89.8 | 156.8 | 0 | 0 | 0 | 113.2 | N1156 S1161 | N1156-L1163 PolarHBondContact OD1-N 3.13Å; S1161-L1163 PolarHBondContact O-N 2.54Å | ||
| 1164 | L | 78 | Confident | 78.3 | Confident | 15 Ų | 15 | 55.7 Ų | 55.7 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | trans | -93.9 | 141.6 | -174.3 | -101.9 | 122.8 | 0 | 0 | 0 | 111.9 | I1089 A1152 N1156 F1162 K1168 V1169 I1172 | I1089-L1164 HydrophobicContact CD1-CD1 3.66Å; I1089-L1164 HydrophobicContact CD1-CD2 4.05Å; I1089-L1164 HydrophobicContact CG1-CD1 4.23Å; A1152-L1164 HydrophobicContact CB-CB 4.38Å; N1156-L1164 PolarHBondContact ND2-O 2.59Å; N1156-L1164 PolarHBondContact OD1-N 2.67Å; F1162-L1164 HydrophobicContact CB-CD1 3.69Å; F1162-L1164 HydrophobicContact CD1-CD1 3.37Å; F1162-L1164 HydrophobicContact CE1-CD1 4.41Å; F1162-L1164 HydrophobicContact CG-CD1 3.99Å; F1162-L1164 WeakPolarHBondContact O-CD1 3.33Å; F1162-L1164 PolarHBondContact O-N 2.82Å; L1164-K1168 HydrophobicContact CD2-CB 3.97Å; L1164-V1169 HydrophobicContact CD2-CB 4.48Å; L1164-V1169 HydrophobicContact CD2-CG2 3.38Å; L1164-I1172 HydrophobicContact CD2-CD1 4.32Å | ||
| 1165 | S | 82.6 | Confident | 78.1 | Confident | 54 Ų | 54 | 52.6 Ų | 52.6 | 38% | 0.378 | 30% | 0.301 | S | S | . | . | trans | -105.6 | 156.6 | 169 | 68 | 0 | 0 | 0 | 0 | 109.5 | A1167 K1168 V1169 | S1165-A1167 PolarHBondContact O-N 3.5Å; S1165-K1168 PolarHBondContact O-N 3.3Å; S1165-K1168 VanDerWaalsContact O-N 3.09Å; S1165-K1168 PolarHBondContact OG-N 3.25Å; S1165-V1169 PolarHBondContact O-N 3.31Å | ||
| 1166 | G | 78.4 | Confident | 78.2 | Confident | 15 Ų | 15 | 52.1 Ų | 52.1 | 16% | 0.155 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.1 | -35.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1148 K1168 V1169 L1170 | F1148-G1166 WeakPolarHBondContact O-CA 3.24Å; G1166-K1168 PolarHBondContact O-N 3.29Å; G1166-V1169 PolarHBondContact O-N 2.79Å; G1166-L1170 PolarHBondContact O-N 3.06Å |
| 1167 | A | 78.7 | Confident | 78.1 | Confident | 72 Ų | 72 | 50.3 Ų | 50.3 | 60% | 0.595 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.3 | -40 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1165 L1170 E1171 | S1165-A1167 PolarHBondContact O-N 3.5Å; A1167-L1170 PolarHBondContact O-N 3.08Å; A1167-E1171 WeakPolarHBondContact O-CB 3.25Å; A1167-E1171 PolarHBondContact O-N 3.46Å |
| 1168 | K | 81.4 | Confident | 77.8 | Confident | 91 Ų | 91 | 47.6 Ų | 47.6 | 40% | 0.396 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 175.3 | -79.7 | -178.4 | 176.9 | -179.9 | 0 | 112.1 | L1164 S1165 G1166 L1170 E1171 I1172 | L1164-K1168 HydrophobicContact CD2-CB 3.97Å; S1165-K1168 PolarHBondContact O-N 3.3Å; S1165-K1168 VanDerWaalsContact O-N 3.09Å; S1165-K1168 PolarHBondContact OG-N 3.25Å; G1166-K1168 PolarHBondContact O-N 3.29Å; K1168-L1170 VanDerWaalsContact C-N 3.25Å; K1168-L1170 PolarHBondContact O-N 3.02Å; K1168-E1171 PolarHBondContact O-N 3.32Å; K1168-I1172 WeakPolarHBondContact O-CG1 3.47Å; K1168-I1172 PolarHBondContact O-N 2.9Å |
| 1169 | V | 81.6 | Confident | 77.8 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.5 | -38.8 | 177.7 | -177 | 0 | 0 | 0 | 0 | 109.8 | I1089 L1093 F1148 A1152 L1164 S1165 G1166 I1172 A1173 | I1089-V1169 HydrophobicContact CG2-CG1 3.84Å; I1089-V1169 HydrophobicContact CG2-CG2 4.12Å; L1093-V1169 HydrophobicContact CD2-CG1 4.28Å; F1148-V1169 VanDerWaalsContact CD1-C 3.41Å; F1148-V1169 HydrophobicContact CD1-CB 3.55Å; F1148-V1169 HydrophobicContact CD1-CG1 3.34Å; F1148-V1169 VanDerWaalsContact CE1-C 3.48Å; F1148-V1169 HydrophobicContact CE1-CB 4.23Å; F1148-V1169 HydrophobicContact CE1-CG1 3.68Å; F1148-V1169 WeakPolarHBondContact CE1-O 3.26Å; F1148-V1169 HydrophobicContact CG-CG1 4.38Å; A1152-V1169 HydrophobicContact CB-CG2 4.16Å; L1164-V1169 HydrophobicContact CD2-CB 4.48Å; L1164-V1169 HydrophobicContact CD2-CG2 3.38Å; S1165-V1169 PolarHBondContact O-N 3.31Å; G1166-V1169 PolarHBondContact O-N 2.79Å; V1169-I1172 PolarHBondContact O-N 2.94Å; V1169-A1173 PolarHBondContact O-N 2.71Å; V1169-A1173 VanDerWaalsContact O-N 3.15Å |
| 1170 | L | 81.7 | Confident | 77.9 | Confident | 46 Ų | 46 | 40 Ų | 40 | 24% | 0.241 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.7 | -46.2 | 176.5 | 177.3 | 62.2 | 0 | 0 | 0 | 111.1 | L1137 V1144 F1148 G1166 A1167 K1168 I1172 A1173 E1174 | L1137-L1170 HydrophobicContact CD2-CD1 3.79Å; V1144-L1170 HydrophobicContact CG1-CD1 3.8Å; F1148-L1170 VanDerWaalsContact CD1-CA 3.48Å; F1148-L1170 HydrophobicContact CD1-CB 3.88Å; F1148-L1170 HydrophobicContact CE1-CB 4.07Å; F1148-L1170 HydrophobicContact CE1-CD1 4.25Å; F1148-L1170 HydrophobicContact CE2-CD1 4.28Å; F1148-L1170 HydrophobicContact CG-CB 4.38Å; F1148-L1170 HydrophobicContact CZ-CD1 4.02Å; G1166-L1170 PolarHBondContact O-N 3.06Å; A1167-L1170 PolarHBondContact O-N 3.08Å; K1168-L1170 VanDerWaalsContact C-N 3.25Å; K1168-L1170 PolarHBondContact O-N 3.02Å; L1170-I1172 VanDerWaalsContact C-N 3.31Å; L1170-I1172 PolarHBondContact O-N 2.84Å; L1170-A1173 PolarHBondContact O-N 3.31Å; L1170-A1173 VanDerWaalsContact O-N 3.16Å; L1170-E1174 HydrophobicContact CD1-CG 4.24Å; L1170-E1174 HydrophobicContact CG-CG 4.37Å; L1170-E1174 WeakPolarHBondContact O-CG 3.29Å; L1170-E1174 PolarHBondContact O-N 3.37Å |
| 1171 | E | 80.1 | Confident | 78.2 | Confident | 64 Ų | 64 | 37 Ų | 37 | 30% | 0.299 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61 | -39.3 | 178 | -172.3 | 162.8 | -139.2 | 0 | 0 | 112.4 | K693 L1059 A1167 K1168 A1173 E1174 D1175 | K693-E1171 IonicContact NZ-OE1 2.61Å; L1059-E1171 HydrophobicContact CB-CG 4.44Å; A1167-E1171 WeakPolarHBondContact O-CB 3.25Å; A1167-E1171 PolarHBondContact O-N 3.46Å; K1168-E1171 PolarHBondContact O-N 3.32Å; E1171-A1173 PolarHBondContact O-N 3.47Å; E1171-E1174 PolarHBondContact O-N 3.25Å; E1171-D1175 VanDerWaalsContact O-CB 3.31Å; E1171-D1175 WeakPolarHBondContact O-CB 3.45Å; E1171-D1175 PolarHBondContact O-N 2.8Å |
| 1172 | I | 83.4 | Confident | 78.5 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.1 | -46.1 | 173.6 | -70.1 | 166.2 | 0 | 0 | 0 | 111.4 | L1059 C1060 I1089 L1090 L1164 K1168 V1169 L1170 D1175 L1176 | L1059-I1172 HydrophobicContact CD2-CD1 4.34Å; L1059-I1172 HydrophobicContact CD2-CG1 4Å; C1060-I1172 HydrophobicContact CB-CB 4.32Å; C1060-I1172 HydrophobicContact CB-CG1 4.28Å; C1060-I1172 HydrophobicContact CB-CG2 3.84Å; I1089-I1172 HydrophobicContact CD1-CD1 4.01Å; L1090-I1172 HydrophobicContact CD2-CG2 4.25Å; L1164-I1172 HydrophobicContact CD2-CD1 4.32Å; K1168-I1172 WeakPolarHBondContact O-CG1 3.47Å; K1168-I1172 PolarHBondContact O-N 2.9Å; V1169-I1172 PolarHBondContact O-N 2.94Å; L1170-I1172 VanDerWaalsContact C-N 3.31Å; L1170-I1172 PolarHBondContact O-N 2.84Å; I1172-D1175 PolarHBondContact O-N 3Å; I1172-L1176 PolarHBondContact O-N 3.08Å; I1172-L1176 VanDerWaalsContact O-N 3.12Å |
| 1173 | A | 82.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.9 | -42.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1133 L1137 F1148 V1169 L1170 E1171 D1175 L1176 S1177 | I1133-A1173 HydrophobicContact CG2-CB 3.94Å; L1137-A1173 HydrophobicContact CD2-CB 4.18Å; F1148-A1173 HydrophobicContact CE1-CB 4.08Å; F1148-A1173 HydrophobicContact CZ-CB 4.18Å; V1169-A1173 PolarHBondContact O-N 2.71Å; V1169-A1173 VanDerWaalsContact O-N 3.15Å; L1170-A1173 PolarHBondContact O-N 3.31Å; L1170-A1173 VanDerWaalsContact O-N 3.16Å; E1171-A1173 PolarHBondContact O-N 3.47Å; A1173-D1175 VanDerWaalsContact C-N 3.34Å; A1173-D1175 PolarHBondContact O-N 2.98Å; A1173-L1176 PolarHBondContact O-N 3.03Å; A1173-S1177 PolarHBondContact O-N 2.86Å |
| 1174 | E | 79.3 | Confident | 79.6 | Confident | 27 Ų | 27 | 28.5 Ų | 28.5 | 13% | 0.126 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.9 | -41 | 174.6 | -74.4 | -178.3 | 164.9 | 0 | 0 | 111.9 | K693 L1170 E1171 S1177 K1178 | K693-E1174 IonicContact NZ-OE2 2.91Å; K693-E1174 PolarHBondContact NZ-OE2 3.48Å; L1170-E1174 HydrophobicContact CD1-CG 4.24Å; L1170-E1174 HydrophobicContact CG-CG 4.37Å; L1170-E1174 WeakPolarHBondContact O-CG 3.29Å; L1170-E1174 PolarHBondContact O-N 3.37Å; E1171-E1174 PolarHBondContact O-N 3.25Å; E1174-S1177 PolarHBondContact O-N 3.47Å; E1174-S1177 PolarHBondContact O-OG 2.88Å; E1174-K1178 WeakPolarHBondContact O-CG 3.3Å; E1174-K1178 PolarHBondContact O-N 2.91Å |
| 1175 | D | 78.5 | Confident | 79.7 | Confident | 11 Ų | 11 | 29.3 Ų | 29.3 | 6% | 0.059 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.7 | -39 | 179.7 | -76 | -15.3 | 0 | 0 | 0 | 112.2 | A1058 L1059 E1171 I1172 A1173 S1177 K1178 | A1058-D1175 VanDerWaalsContact CA-OD2 3.25Å; A1058-D1175 WeakPolarHBondContact CA-OD2 3.5Å; A1058-D1175 HydrophobicContact CB-CB 4.04Å; L1059-D1175 PolarHBondContact N-OD2 3.25Å; E1171-D1175 VanDerWaalsContact O-CB 3.31Å; E1171-D1175 WeakPolarHBondContact O-CB 3.45Å; E1171-D1175 PolarHBondContact O-N 2.8Å; I1172-D1175 PolarHBondContact O-N 3Å; A1173-D1175 VanDerWaalsContact C-N 3.34Å; A1173-D1175 PolarHBondContact O-N 2.98Å; D1175-S1177 VanDerWaalsContact C-N 3.34Å; D1175-K1178 PolarHBondContact O-N 3.33Å; D1175-K1178 IonicContact OD1-NZ 3.74Å; D1175-K1178 PolarHBondContact OD1-NZ 2.78Å |
| 1176 | L | 80.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68 | -33.5 | 172.8 | -74.4 | 174.8 | 0 | 0 | 0 | 112.5 | Y5 I1082 L1090 I1172 A1173 K1178 I1179 | Y5-L1176 HydrophobicContact CD2-CD1 3.99Å; Y5-L1176 HydrophobicContact CE1-CB 4.25Å; Y5-L1176 HydrophobicContact CE2-CD1 3.99Å; Y5-L1176 HydrophobicContact CG-CD1 4.35Å; I1082-L1176 HydrophobicContact CG2-CD2 4.29Å; L1090-L1176 HydrophobicContact CD1-CD1 3.36Å; L1090-L1176 HydrophobicContact CD2-CD1 4.31Å; L1090-L1176 HydrophobicContact CG-CD1 4.46Å; I1172-L1176 PolarHBondContact O-N 3.08Å; I1172-L1176 VanDerWaalsContact O-N 3.12Å; A1173-L1176 PolarHBondContact O-N 3.03Å; L1176-K1178 PolarHBondContact O-N 3.44Å; L1176-K1178 VanDerWaalsContact O-N 3.15Å; L1176-I1179 HydrophobicContact CD2-CD1 4.49Å; L1176-I1179 HydrophobicContact CD2-CG2 4.41Å; L1176-I1179 WeakPolarHBondContact O-CD1 3.28Å; L1176-I1179 WeakPolarHBondContact O-CG1 3.43Å; L1176-I1179 WeakPolarHBondContact O-CG2 3.25Å; L1176-I1179 PolarHBondContact O-N 3.16Å |
| 1177 | S | 78.4 | Confident | 79.5 | Confident | 11 Ų | 11 | 28.6 Ų | 28.6 | 8% | 0.077 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.2 | -14.4 | 175.5 | 77.7 | 0 | 0 | 0 | 0 | 114 | E1134 A1173 E1174 D1175 H1180 | E1134-S1177 WeakPolarHBondContact OE1-CA 3.47Å; A1173-S1177 PolarHBondContact O-N 2.86Å; E1174-S1177 PolarHBondContact O-N 3.47Å; E1174-S1177 PolarHBondContact O-OG 2.88Å; D1175-S1177 VanDerWaalsContact C-N 3.34Å; S1177-H1180 PolarHBondContact O-CE1 2.93Å |
| 1178 | K | 74.7 | Confident | 79.6 | Confident | 56 Ų | 56 | 25.2 Ų | 25.2 | 24% | 0.243 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -0.3 | 178.4 | -64.6 | 166.4 | -166.5 | 161.3 | 0 | 113.5 | E1174 D1175 L1176 H1180 | E1174-K1178 WeakPolarHBondContact O-CG 3.3Å; E1174-K1178 PolarHBondContact O-N 2.91Å; D1175-K1178 PolarHBondContact O-N 3.33Å; D1175-K1178 IonicContact OD1-NZ 3.74Å; D1175-K1178 PolarHBondContact OD1-NZ 2.78Å; L1176-K1178 PolarHBondContact O-N 3.44Å; L1176-K1178 VanDerWaalsContact O-N 3.15Å; K1178-H1180 PolarHBondContact O-N 2.71Å |
| 1179 | I | 77.1 | Confident | 79.5 | Confident | 8 Ų | 8 | 19.8 Ų | 19.8 | 4% | 0.041 | 10% | 0.096 | C | C | . | . | trans | -74.8 | -14.7 | 179.7 | 73.6 | -169.1 | 0 | 0 | 0 | 112.9 | Y5 V7 P1062 V1078 L1176 | Y5-I1179 HydrophobicContact CD1-CD1 3.95Å; Y5-I1179 HydrophobicContact CE1-CD1 4.01Å; V7-I1179 HydrophobicContact CG1-CD1 4.3Å; P1062-I1179 HydrophobicContact CG-CG2 4.11Å; V1078-I1179 HydrophobicContact CG1-CD1 4.22Å; V1078-I1179 HydrophobicContact CG1-CG1 4.31Å; L1176-I1179 HydrophobicContact CD2-CD1 4.49Å; L1176-I1179 HydrophobicContact CD2-CG2 4.41Å; L1176-I1179 WeakPolarHBondContact O-CD1 3.28Å; L1176-I1179 WeakPolarHBondContact O-CG1 3.43Å; L1176-I1179 WeakPolarHBondContact O-CG2 3.25Å; L1176-I1179 PolarHBondContact O-N 3.16Å | ||
| 1180 | H | 75.1 | Confident | 79.3 | Confident | 9 Ų | 9 | 21.5 Ų | 21.5 | 4% | 0.042 | 10% | 0.104 | C | C | . | . | trans | -138.4 | 0 | -170 | 72.4 | -84.3 | 0 | 0 | 0 | 112.6 | A9 R737 V1052 V1078 E1134 S1177 K1178 | A9-H1180 HydrophobicContact CB-CB 3.79Å; R737-H1180 PolarHBondContact NH1-CE1 2.91Å; R737-H1180 PolarHBondContact NH1-NE2 3.45Å; R737-H1180 VanDerWaalsContact NH1-NE2 3.16Å; V1052-H1180 WeakPolarHBondContact CG2-O 3.3Å; V1052-H1180 WeakPolarHBondContact CG2-OXT 3.43Å; V1078-H1180 HydrophobicContact CB-CB 4.36Å; V1078-H1180 HydrophobicContact CG2-CB 3.74Å; E1134-H1180 IonicContact OE1-CE1 3.8Å; E1134-H1180 PolarHBondContact OE1-CE1 2.94Å; E1134-H1180 IonicContact OE1-ND1 3.38Å; E1134-H1180 IonicContact OE2-CE1 3.48Å; E1134-H1180 PolarHBondContact OE2-CE1 3.12Å; E1134-H1180 VanDerWaalsContact OE2-CE1 3.25Å; E1134-H1180 IonicContact OE2-NE2 3.62Å; S1177-H1180 PolarHBondContact O-CE1 2.93Å; K1178-H1180 PolarHBondContact O-N 2.71Å |
Retrieved 1,180 of 1,180 residues in 1924.8 ms
(Link to these results)