| 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 | 67 | Low | 81.8 | Confident | 128 Ų | 128 | 76.8 Ų | 76.8 | 63% | 0.631 | 40% | 0.401 | S | S | * | . | 0 | 135.1 | 0 | 179.7 | -177.9 | 82.4 | 0 | 0 | 108.2 | T3 M6 R8 | M1-T3 HydrophobicContact CE-CG2 3.97Å; M1-M6 HydrophobicContact CE-CE 3.87Å; M1-R8 HydrophobicContact CB-CB 4.07Å; M1-R8 PolarHBondContact N-O 3.1Å; M1-R8 PolarHBondContact O-N 3.19Å | |||
| 2 | V | 75.6 | Confident | 82.1 | Confident | 111 Ų | 111 | 71.9 Ų | 71.9 | 67% | 0.673 | 38% | 0.376 | S | S | * | . | B | Isolated β-bridge | trans | -118.7 | 125.2 | -178.2 | 177.9 | 0 | 0 | 0 | 0 | 109.1 | I7 | V2-I7 HydrophobicContact CG1-CG1 4.14Å; V2-I7 HydrophobicContact CG2-CG1 4.28Å; V2-I7 HydrophobicContact CG2-CG2 4.22Å |
| 3 | T | 77.1 | Confident | 81.9 | Confident | 58 Ų | 58 | 72.2 Ų | 72.2 | 36% | 0.356 | 38% | 0.378 | S | S | . | . | trans | -122.2 | 173.4 | 171.9 | 76 | 0 | 0 | 0 | 0 | 109.7 | M1 E5 M6 | M1-T3 HydrophobicContact CE-CG2 3.97Å; T3-E5 PolarHBondContact O-N 2.68Å; T3-E5 PolarHBondContact OG1-N 2.99Å; T3-M6 PolarHBondContact N-O 3.49Å; T3-M6 PolarHBondContact OG1-N 3.41Å; T3-M6 PolarHBondContact OG1-O 3.44Å | ||
| 4 | N | 70.2 | Confident | 81.8 | Confident | 181 Ų | 181 | 71.9 Ų | 71.9 | 97% | 0.968 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -67.7 | -12.7 | 174 | -69.8 | -24.5 | 0 | 0 | 0 | 113.3 | ||
| 5 | E | 71.6 | Confident | 81.7 | Confident | 162 Ų | 162 | 70.5 Ų | 70.5 | 76% | 0.757 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -109 | -29.2 | -176 | -62.4 | -175.8 | 176.8 | 0 | 0 | 112.8 | T3 | T3-E5 PolarHBondContact O-N 2.68Å; T3-E5 PolarHBondContact OG1-N 2.99Å |
| 6 | M | 85.6 | Confident | 82.1 | Confident | 43 Ų | 43 | 74.9 Ų | 74.9 | 21% | 0.212 | 39% | 0.39 | C | S | . | . | trans | -157.4 | 158.2 | -177.4 | 68.3 | -174.6 | -172.4 | 0 | 0 | 113.5 | M1 T3 D190 I191 I192 | M1-M6 HydrophobicContact CE-CE 3.87Å; T3-M6 PolarHBondContact N-O 3.49Å; T3-M6 PolarHBondContact OG1-N 3.41Å; T3-M6 PolarHBondContact OG1-O 3.44Å; M6-D190 HydrophobicContact CB-CB 4.34Å; M6-D190 HydrophobicContact CG-CB 4.5Å; M6-D190 HydrophobicContact SD-CB 3.89Å; M6-D190 VanDerWaalsContact SD-CG 3.52Å; M6-D190 VanDerWaalsContact SD-OD2 3.38Å; M6-I191 CarbonylContact C-O 3.53Å; M6-I191 WeakPolarHBondContact CA-O 3.39Å; M6-I192 HydrophobicContact CB-CG1 4.14Å | ||
| 7 | I | 90.3 | Very high | 82.4 | Confident | 51 Ų | 51 | 77.4 Ų | 77.4 | 26% | 0.262 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 113 | 169.6 | -62.4 | 175.8 | 0 | 0 | 0 | 108.2 | V2 L20 D190 I191 | V2-I7 HydrophobicContact CG1-CG1 4.14Å; V2-I7 HydrophobicContact CG2-CG1 4.28Å; V2-I7 HydrophobicContact CG2-CG2 4.22Å; I7-L20 HydrophobicContact CD1-CD1 4.19Å; I7-L20 HydrophobicContact CD1-CD2 3.96Å; I7-L20 HydrophobicContact CG2-CD2 4.32Å; I7-D190 CarbonylContact O-C 3.52Å; I7-D190 WeakPolarHBondContact O-CA 3.33Å; I7-I191 PolarHBondContact N-O 3.08Å; I7-I191 PolarHBondContact O-N 3.1Å |
| 8 | R | 92.7 | Very high | 82.8 | Confident | 59 Ų | 59 | 73.9 Ų | 73.9 | 22% | 0.223 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 117.3 | 175 | -176.4 | 161.3 | -69.4 | 176.9 | -2.1 | 110.9 | M1 T10 N188 D190 | M1-R8 HydrophobicContact CB-CB 4.07Å; M1-R8 PolarHBondContact N-O 3.1Å; M1-R8 PolarHBondContact O-N 3.19Å; R8-T10 WeakPolarHBondContact CG-O 3.47Å; R8-N188 PolarHBondContact NH1-OD1 2.99Å; R8-N188 VanDerWaalsContact NH1-OD1 3.17Å; R8-D190 VanDerWaalsContact CA-OD1 3.26Å; R8-D190 WeakPolarHBondContact CA-OD1 3.32Å; R8-D190 WeakPolarHBondContact CB-OD1 3.32Å; R8-D190 WeakPolarHBondContact CG-OD1 3.13Å; R8-D190 IonicContact CZ-OD1 3.27Å; R8-D190 IonicContact CZ-OD2 3.22Å; R8-D190 IonicContact NE-OD1 3.87Å; R8-D190 PolarHBondContact NE-OD1 2.88Å; R8-D190 IonicContact NE-OD2 3.74Å; R8-D190 IonicContact NH2-OD1 2.93Å; R8-D190 IonicContact NH2-OD2 3.6Å; R8-D190 PolarHBondContact NH2-OD2 3.41Å |
| 9 | L | 92.5 | Very high | 83.3 | Confident | 16 Ų | 16 | 72.9 Ų | 72.9 | 8% | 0.084 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | -55.4 | 173.7 | -59.2 | 179.7 | 0 | 0 | 0 | 110.3 | G18 L20 F178 A180 H189 I191 | L9-G18 WeakPolarHBondContact O-CA 3.35Å; L9-L20 HydrophobicContact CD2-CB 3.72Å; L9-F178 HydrophobicContact CD1-CB 4.1Å; L9-A180 HydrophobicContact CB-CB 4Å; L9-A180 HydrophobicContact CD1-CB 4.21Å; L9-H189 HydrophobicContact CB-CB 4.35Å; L9-H189 PolarHBondContact N-O 3.35Å; L9-I191 HydrophobicContact CD1-CD1 4.28Å; L9-I191 HydrophobicContact CD1-CG1 3.9Å; L9-I191 HydrophobicContact CD2-CG1 4.47Å; L9-I191 HydrophobicContact CG-CG1 4.12Å |
| 10 | T | 91.3 | Very high | 83.8 | Confident | 3 Ų | 3 | 71.8 Ų | 71.8 | 2% | 0.018 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 147.8 | 174.8 | 53.2 | 0 | 0 | 0 | 0 | 110.7 | R8 R16 A180 N188 H189 | R8-T10 WeakPolarHBondContact CG-O 3.47Å; T10-R16 HydrophobicContact CG2-CB 3.99Å; T10-R16 WeakPolarHBondContact CG2-O 3.48Å; T10-A180 HydrophobicContact CG2-CB 4.1Å; T10-A180 VanDerWaalsContact CG2-O 3.29Å; T10-A180 WeakPolarHBondContact CG2-O 3.25Å; T10-N188 WeakPolarHBondContact O-CA 3.04Å; T10-H189 PolarHBondContact O-N 2.64Å; T10-H189 PolarHBondContact OG1-ND1 2.95Å |
| 11 | S | 86.2 | Confident | 84.2 | Confident | 33 Ų | 33 | 70.6 Ų | 70.6 | 23% | 0.231 | 36% | 0.363 | C | S | . | . | trans | -83.4 | 164.5 | 169.2 | 47.7 | 0 | 0 | 0 | 0 | 110.7 | D13 D187 N188 | S11-D13 WeakPolarHBondContact CB-OD2 3.44Å; S11-D13 PolarHBondContact O-N 3.45Å; S11-D13 PolarHBondContact OG-OD2 3.02Å; S11-D187 CarbonylContact C-O 3.58Å; S11-N188 WeakPolarHBondContact CA-OD1 3.35Å | ||
| 12 | D | 84.9 | Confident | 85.2 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 10% | 0.096 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -69.6 | 55.2 | 166.2 | -171.9 | 14.9 | 0 | 0 | 0 | 111.2 | K42 S186 N188 | D12-K42 WeakPolarHBondContact OD2-CD 3.32Å; D12-K42 VanDerWaalsContact OD2-CG 3.26Å; D12-K42 WeakPolarHBondContact OD2-CG 3.39Å; D12-K42 PolarHBondContact OD2-N 3.19Å; D12-K42 VanDerWaalsContact OD2-N 3.09Å; D12-S186 VanDerWaalsContact C-OG 3.24Å; D12-S186 PolarHBondContact O-OG 2.99Å; D12-S186 VanDerWaalsContact OD1-C 3.23Å; D12-S186 WeakPolarHBondContact OD1-CB 3.42Å; D12-S186 PolarHBondContact OD1-OG 3.45Å; D12-N188 PolarHBondContact N-OD1 3.34Å |
| 13 | D | 80.3 | Confident | 85.5 | Confident | 75 Ų | 75 | 66.8 Ų | 66.8 | 40% | 0.401 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -127.1 | 142.4 | 170.8 | -59.8 | -55.9 | 0 | 0 | 0 | 108.9 | S11 R16 T182 S186 | S11-D13 WeakPolarHBondContact CB-OD2 3.44Å; S11-D13 PolarHBondContact O-N 3.45Å; S11-D13 PolarHBondContact OG-OD2 3.02Å; D13-R16 HydrophobicContact CB-CG 3.97Å; D13-T182 WeakPolarHBondContact O-CB 3.47Å; D13-T182 PolarHBondContact O-OG1 2.93Å; D13-S186 PolarHBondContact N-OG 3.46Å; D13-S186 VanDerWaalsContact O-CB 3.23Å; D13-S186 WeakPolarHBondContact O-CB 3.39Å |
| 14 | P | 80.1 | Confident | 85.8 | Confident | 68 Ų | 68 | 65.5 Ų | 65.5 | 44% | 0.442 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 152.9 | 175.1 | -22.7 | 33.1 | 0 | 0 | 0 | 112.5 | R16 G183 | P14-R16 VanDerWaalsContact C-N 3.29Å; P14-R16 PolarHBondContact O-N 3.33Å; P14-G183 WeakPolarHBondContact CA-O 3.37Å; P14-G183 WeakPolarHBondContact CB-O 3.22Å |
| 15 | S | 80.3 | Confident | 86.6 | Confident | 51 Ų | 51 | 58 Ų | 58 | 36% | 0.357 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 34.2 | 168.6 | -41.5 | 0 | 0 | 0 | 0 | 114.5 | T182 G183 R1096 | S15-T182 WeakPolarHBondContact CA-O 3.23Å; S15-T182 PolarHBondContact N-O 3.1Å; S15-T182 PolarHBondContact N-OG1 3.28Å; S15-G183 PolarHBondContact N-O 2.98Å; S15-R1096 WeakPolarHBondContact OG-CD 3.49Å; S15-R1096 PolarHBondContact OG-NE 3.24Å; S15-R1096 PolarHBondContact OG-NH1 3.41Å |
| 16 | R | 87.2 | Confident | 87.4 | Confident | 142 Ų | 142 | 50.8 Ų | 50.8 | 54% | 0.536 | 27% | 0.266 | S | S | . | . | trans | -101.6 | 142.4 | 172.1 | -63.6 | -58.1 | -170.6 | 179.2 | -1.4 | 108.9 | T10 D13 P14 A181 T182 | T10-R16 HydrophobicContact CG2-CB 3.99Å; T10-R16 WeakPolarHBondContact CG2-O 3.48Å; D13-R16 HydrophobicContact CB-CG 3.97Å; P14-R16 VanDerWaalsContact C-N 3.29Å; P14-R16 PolarHBondContact O-N 3.33Å; R16-A181 CarbonylContact O-C 3.58Å; R16-A181 VanDerWaalsContact O-CA 3.25Å; R16-A181 WeakPolarHBondContact O-CA 3.43Å; R16-T182 PolarHBondContact N-OG1 3.2Å; R16-T182 PolarHBondContact O-N 2.96Å; R16-T182 PolarHBondContact O-OG1 3.06Å | ||
| 17 | Q | 87.9 | Confident | 87.2 | Confident | 117 Ų | 117 | 51.6 Ų | 51.6 | 55% | 0.547 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 146.3 | 167.4 | 59.1 | 178.6 | -8.4 | 0 | 0 | 108.6 | A180 A181 | Q17-A180 WeakPolarHBondContact CA-O 3.45Å; Q17-A181 HydrophobicContact CB-CB 4.4Å |
| 18 | G | 90 | Very high | 86.9 | Confident | 14 Ų | 14 | 50.6 Ų | 50.6 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 150.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L9 S179 A180 | L9-G18 WeakPolarHBondContact O-CA 3.35Å; G18-S179 VanDerWaalsContact O-CA 3.31Å; G18-S179 WeakPolarHBondContact O-CA 3.17Å; G18-A180 PolarHBondContact N-O 3.24Å; G18-A180 PolarHBondContact O-N 3.18Å |
| 19 | Q | 92.1 | Very high | 86.4 | Confident | 56 Ų | 56 | 51 Ų | 51 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 152.4 | -173.5 | -50.1 | 176.1 | 34.2 | 0 | 0 | 111.2 | G67 F178 | Q19-G67 VanDerWaalsContact CD-O 3.29Å; Q19-G67 PolarHBondContact NE2-O 2.81Å; Q19-F178 CarbonylContact C-O 3.59Å; Q19-F178 WeakPolarHBondContact CA-O 3.43Å |
| 20 | L | 93.2 | Very high | 86.3 | Confident | 50 Ų | 50 | 50.8 Ų | 50.8 | 26% | 0.262 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 123.8 | 174.6 | 175.1 | 68.7 | 0 | 0 | 0 | 107.8 | I7 L9 G177 F178 I191 | I7-L20 HydrophobicContact CD1-CD1 4.19Å; I7-L20 HydrophobicContact CD1-CD2 3.96Å; I7-L20 HydrophobicContact CG2-CD2 4.32Å; L9-L20 HydrophobicContact CD2-CB 3.72Å; L20-G177 CarbonylContact O-C 3.42Å; L20-G177 WeakPolarHBondContact O-CA 3.44Å; L20-F178 HydrophobicContact CB-CB 4.35Å; L20-F178 HydrophobicContact CB-CD2 4.4Å; L20-F178 HydrophobicContact CD2-CD2 4.14Å; L20-F178 HydrophobicContact CG-CD2 4.29Å; L20-F178 PolarHBondContact N-O 3.34Å; L20-F178 PolarHBondContact O-N 2.86Å; L20-I191 HydrophobicContact CD2-CB 4.44Å; L20-I191 HydrophobicContact CD2-CG2 4.24Å |
| 21 | W | 92.7 | Very high | 86.4 | Confident | 46 Ų | 46 | 50.8 Ų | 50.8 | 17% | 0.174 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 149.4 | -176.8 | -68.3 | 86.1 | 0 | 0 | 0 | 111.3 | W54 T56 P59 G60 S68 H175 | W21-W54 HydrophobicContact CH2-CB 3.51Å; W21-W54 HydrophobicContact CH2-CD2 4.45Å; W21-W54 AromaticContact CH2-CG 3.72Å; W21-W54 HydrophobicContact CH2-CG 3.72Å; W21-W54 HydrophobicContact CZ2-CB 4.37Å; W21-W54 HydrophobicContact CZ2-CG 4.19Å; W21-W54 HydrophobicContact CZ3-CB 3.78Å; W21-W54 HydrophobicContact CZ3-CG 4.44Å; W21-T56 WeakPolarHBondContact CH2-OG1 3.31Å; W21-T56 VanDerWaalsContact CZ3-OG1 3.23Å; W21-T56 WeakPolarHBondContact CZ3-OG1 3.43Å; W21-P59 HydrophobicContact CB-CB 4.28Å; W21-P59 HydrophobicContact CD2-CB 3.89Å; W21-P59 HydrophobicContact CE3-CB 3.53Å; W21-P59 HydrophobicContact CG-CB 4.22Å; W21-P59 HydrophobicContact CZ3-CB 4.16Å; W21-G60 VanDerWaalsContact CD2-N 3.33Å; W21-S68 WeakPolarHBondContact CZ2-OG 3.31Å; W21-H175 HydrophobicContact CE3-CB 4.31Å |
| 22 | N | 88.3 | Confident | 86.8 | Confident | 46 Ų | 46 | 50.6 Ų | 50.6 | 25% | 0.246 | 26% | 0.262 | C | S | . | . | trans | -77.6 | 138.3 | 167.9 | 77.8 | -22.7 | 0 | 0 | 0 | 110.1 | V24 H175 F176 | N22-V24 PolarHBondContact ND2-O 3.13Å; N22-H175 PolarHBondContact O-ND1 2.77Å; N22-H175 VanDerWaalsContact O-ND1 3.09Å; N22-H175 WeakPolarHBondContact OD1-CA 3.29Å; N22-H175 VanDerWaalsContact OD1-CB 3.23Å; N22-H175 WeakPolarHBondContact OD1-CB 3.3Å; N22-H175 PolarHBondContact OD1-ND1 3.14Å; N22-F176 VanDerWaalsContact CG-N 3.3Å; N22-F176 PolarHBondContact N-O 2.8Å; N22-F176 PolarHBondContact ND2-N 2.76Å; N22-F176 PolarHBondContact OD1-N 3.45Å; N22-F176 PolarHBondContact OD1-O 2.79Å | ||
| 23 | T | 81.8 | Confident | 87.3 | Confident | 114 Ų | 114 | 49.8 Ų | 49.8 | 70% | 0.699 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -78.8 | -29.7 | 179.5 | 12.6 | 0 | 0 | 0 | 0 | 112.4 | H175 | T23-H175 PolarHBondContact O-CE1 2.87Š|
| 24 | V | 83.3 | Confident | 88.1 | Confident | 31 Ų | 31 | 47.3 Ų | 47.3 | 19% | 0.188 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -100.6 | 123 | -177 | -178 | 0 | 0 | 0 | 0 | 109.9 | N22 L1780 | N22-V24 PolarHBondContact ND2-O 3.13Å; V24-L1780 HydrophobicContact CG1-CD1 4.22Å; V24-L1780 HydrophobicContact CG1-CD2 4.32Å; V24-L1780 HydrophobicContact CG2-CD1 4.33Å |
| 25 | P | 86.1 | Confident | 88.8 | Confident | 23 Ų | 23 | 44.1 Ų | 44.1 | 15% | 0.149 | 22% | 0.223 | C | C | . | . | trans | -66.6 | 151.9 | 178 | 26.3 | -32.2 | 0 | 0 | 0 | 111.6 | M27 N173 Y174 | P25-M27 PolarHBondContact O-N 3.3Å; P25-N173 WeakPolarHBondContact CB-O 3.47Å; P25-N173 VanDerWaalsContact CB-OD1 3.31Å; P25-N173 WeakPolarHBondContact CB-OD1 3.45Å; P25-N173 WeakPolarHBondContact CG-OD1 3.25Å; P25-Y174 WeakPolarHBondContact CA-O 3.15Å | ||
| 26 | V | 87.6 | Confident | 89.5 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 6% | 0.061 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -83.2 | 111.5 | -177.9 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | V28 Y55 N173 Y174 F176 M196 | V26-V28 HydrophobicContact CG1-CB 4.35Å; V26-Y55 HydrophobicContact CB-CE2 3.66Å; V26-Y55 HydrophobicContact CG1-CE2 4.28Å; V26-Y55 HydrophobicContact CG2-CD2 4.42Å; V26-Y55 HydrophobicContact CG2-CE2 3.71Å; V26-Y55 PolarHBondContact O-OH 3.3Å; V26-N173 PolarHBondContact O-N 3.05Å; V26-Y174 PolarHBondContact N-O 2.8Å; V26-F176 HydrophobicContact CG1-CE2 4.47Å; V26-F176 HydrophobicContact CG2-CD2 3.46Å; V26-F176 VanDerWaalsContact CG2-CD2 3.46Å; V26-F176 HydrophobicContact CG2-CE2 3.4Å; V26-F176 VanDerWaalsContact CG2-CE2 3.4Å; V26-F176 HydrophobicContact CG2-CG 4.4Å; V26-F176 HydrophobicContact CG2-CZ 4.28Å; V26-M196 HydrophobicContact CG1-CE 3.59Å |
| 27 | M | 82.1 | Confident | 89.8 | Confident | 61 Ų | 61 | 36 Ų | 36 | 30% | 0.3 | 19% | 0.189 | S | C | . | . | trans | -93.2 | 1.5 | 179.5 | -56.2 | -57.9 | -62.7 | 0 | 0 | 113.3 | P25 N173 R1783 | P25-M27 PolarHBondContact O-N 3.3Å; M27-N173 HydrophobicContact CE-CB 4.5Å; M27-N173 HydrophobicContact SD-CB 3.96Å; M27-N173 PolarHBondContact SD-OD1 3.38Å; M27-R1783 VanDerWaalsContact CE-NH1 3.27Å; M27-R1783 PolarHBondContact SD-NH1 2.76Å; M27-R1783 VanDerWaalsContact SD-NH1 3.45Å | ||
| 28 | V | 83.9 | Confident | 90 | Very high | 30 Ų | 30 | 30.8 Ų | 30.8 | 18% | 0.182 | 17% | 0.165 | C | C | . | . | trans | -98.1 | 133.6 | -175.1 | -177 | 0 | 0 | 0 | 0 | 109.7 | V26 D30 L172 M196 E198 | V26-V28 HydrophobicContact CG1-CB 4.35Å; V28-D30 VanDerWaalsContact CG1-O 3.31Å; V28-D30 WeakPolarHBondContact CG1-O 3.32Å; V28-L172 VanDerWaalsContact C-CD2 3.45Å; V28-L172 WeakPolarHBondContact O-CD2 3.11Å; V28-M196 HydrophobicContact CB-CE 4.13Å; V28-M196 HydrophobicContact CG2-CE 4.34Å; V28-E198 HydrophobicContact CG1-CB 3.81Å; V28-E198 HydrophobicContact CG1-CG 3.45Å; V28-E198 VanDerWaalsContact CG1-CG 3.45Å; V28-E198 HydrophobicContact CG2-CB 4.45Å; V28-E198 HydrophobicContact CG2-CG 4.49Å | ||
| 29 | R | 82.5 | Confident | 90 | Very high | 67 Ų | 67 | 30.2 Ų | 30.2 | 25% | 0.253 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -81.7 | -28.5 | -173.7 | -165 | 175.5 | 174.8 | -176 | -5.5 | 114.2 | Y142 E145 L172 R203 Y209 | R29-Y142 WeakPolarHBondContact O-CD1 3.46Å; R29-Y142 VanDerWaalsContact O-CE1 3.24Å; R29-Y142 WeakPolarHBondContact O-CE1 3.24Å; R29-E145 IonicContact NH2-OE1 2.72Å; R29-E145 PolarHBondContact NH2-OE1 3.37Å; R29-L172 HydrophobicContact CB-CD2 3.97Å; R29-L172 HydrophobicContact CG-CD2 4.46Å; R29-R203 VanDerWaalsContact CZ-NH1 3.25Å; R29-R203 VanDerWaalsContact NH2-NH1 3.11Å; R29-Y209 VanDerWaalsContact CZ-CE1 3.45Å |
| 30 | D | 89.4 | Confident | 89.8 | Confident | 12 Ų | 12 | 32.4 Ų | 32.4 | 6% | 0.064 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -128.2 | 117 | -175.6 | -72.6 | -73.2 | 0 | 0 | 0 | 108.6 | V28 Y142 V143 G144 I199 R203 | V28-D30 VanDerWaalsContact CG1-O 3.31Å; V28-D30 WeakPolarHBondContact CG1-O 3.32Å; D30-Y142 CarbonylContact C-O 3.57Å; D30-Y142 WeakPolarHBondContact CA-O 3.44Å; D30-V143 VanDerWaalsContact OD1-CA 3.25Å; D30-V143 WeakPolarHBondContact OD1-CA 3.44Å; D30-G144 PolarHBondContact OD1-N 3.49Å; D30-I199 HydrophobicContact CB-CB 4.44Å; D30-I199 WeakPolarHBondContact CB-O 3.1Å; D30-I199 PolarHBondContact O-N 3.43Å; D30-R203 IonicContact OD1-CZ 3.58Å; D30-R203 IonicContact OD1-NE 2.78Å; D30-R203 IonicContact OD1-NH2 3.93Å; D30-R203 PolarHBondContact OD1-NH2 2.95Å; D30-R203 IonicContact OD2-CZ 2.86Å; D30-R203 IonicContact OD2-NE 2.72Å; D30-R203 PolarHBondContact OD2-NE 3.1Å; D30-R203 IonicContact OD2-NH2 3.04Å; D30-R203 PolarHBondContact OD2-NH2 3.24Å; D30-R203 VanDerWaalsContact OD2-NH2 3.11Å |
| 31 | W | 94.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 160.9 | -169.3 | 53.7 | -103.1 | 0 | 0 | 0 | 114.3 | L33 Y55 V140 Y142 L170 F176 M196 Y197 | W31-L33 HydrophobicContact CE3-CB 4.17Å; W31-L33 HydrophobicContact CZ3-CB 3.96Å; W31-Y55 HydrophobicContact CZ2-CD1 4.46Å; W31-Y55 HydrophobicContact CZ2-CG 4.33Å; W31-V140 HydrophobicContact CH2-CG1 4.06Å; W31-V140 HydrophobicContact CZ3-CB 4.28Å; W31-V140 HydrophobicContact CZ3-CG1 3.92Å; W31-Y142 HydrophobicContact CZ2-CD1 4.47Å; W31-Y142 HydrophobicContact CZ2-CG 4.42Å; W31-Y142 PolarHBondContact N-O 3.48Å; W31-Y142 AromaticContact NE1-CD1 3.82Å; W31-Y142 PolarHBondContact O-N 3.07Å; W31-L170 HydrophobicContact CZ2-CD1 4.19Å; W31-F176 AromaticContact CD2-CZ 3.83Å; W31-F176 HydrophobicContact CD2-CZ 3.83Å; W31-F176 AromaticContact CE2-CZ 3.83Å; W31-F176 HydrophobicContact CE3-CE1 4.44Å; W31-F176 AromaticContact CE3-CZ 3.73Å; W31-F176 HydrophobicContact CE3-CZ 3.73Å; W31-F176 AromaticContact CH2-CE1 3.66Å; W31-F176 HydrophobicContact CH2-CE1 3.66Å; W31-F176 AromaticContact CH2-CZ 3.7Å; W31-F176 HydrophobicContact CH2-CZ 3.7Å; W31-F176 AromaticContact CZ2-CE1 3.97Å; W31-F176 HydrophobicContact CZ2-CE1 3.97Å; W31-F176 AromaticContact CZ2-CZ 3.78Å; W31-F176 HydrophobicContact CZ2-CZ 3.78Å; W31-F176 AromaticContact CZ3-CE1 3.92Å; W31-F176 HydrophobicContact CZ3-CE1 3.92Å; W31-F176 AromaticContact CZ3-CZ 3.66Å; W31-F176 HydrophobicContact CZ3-CZ 3.66Å; W31-M196 HydrophobicContact CB-CE 3.55Å; W31-M196 HydrophobicContact CB-SD 4.28Å; W31-M196 HydrophobicContact CG-CE 4.14Å; W31-Y197 CarbonylContact C-O 3.53Å; W31-Y197 VanDerWaalsContact CA-O 3.24Å; W31-Y197 WeakPolarHBondContact CA-O 3.38Å |
| 32 | E | 94.6 | Very high | 88 | Confident | 29 Ų | 29 | 37.3 Ų | 37.3 | 14% | 0.136 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129.6 | 171.5 | -79.4 | 179.4 | -145.7 | 0 | 0 | 110.3 | L139 V140 R141 M196 Y197 I199 | E32-L139 HydrophobicContact CB-CD1 4.17Å; E32-V140 CarbonylContact C-O 3.58Å; E32-V140 WeakPolarHBondContact CA-O 3.49Å; E32-R141 VanDerWaalsContact CD-CZ 3.47Å; E32-R141 HydrophobicContact CG-CB 3.87Å; E32-R141 HydrophobicContact CG-CG 3.67Å; E32-R141 IonicContact OE1-CZ 3.96Å; E32-R141 IonicContact OE1-NE 3.68Å; E32-R141 PolarHBondContact OE1-NE 2.9Å; E32-R141 IonicContact OE1-NH2 3.66Å; E32-R141 PolarHBondContact OE1-NH2 3.28Å; E32-R141 IonicContact OE2-CZ 2.7Å; E32-R141 IonicContact OE2-NE 3.54Å; E32-R141 PolarHBondContact OE2-NE 3.06Å; E32-R141 IonicContact OE2-NH2 2.65Å; E32-R141 PolarHBondContact OE2-NH2 3.21Å; E32-M196 CarbonylContact O-C 3.55Å; E32-M196 VanDerWaalsContact O-CA 3.26Å; E32-M196 WeakPolarHBondContact O-CA 3.06Å; E32-Y197 HydrophobicContact CB-CD2 4.41Å; E32-Y197 PolarHBondContact N-O 3.39Å; E32-Y197 PolarHBondContact O-N 2.88Å; E32-I199 HydrophobicContact CB-CD1 4.23Å; E32-I199 HydrophobicContact CB-CG1 4.27Å; E32-I199 HydrophobicContact CG-CD1 3.87Å; E32-I199 HydrophobicContact CG-CG1 3.77Å; E32-I199 VanDerWaalsContact OE1-CD1 3.3Å; E32-I199 WeakPolarHBondContact OE1-CD1 3.27Å |
| 33 | L | 96.4 | Very high | 86.2 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 113 | 177.5 | -174.5 | 76.5 | 0 | 0 | 0 | 109.9 | W31 V35 I53 L139 V140 F176 F178 V194 R195 M196 | W31-L33 HydrophobicContact CE3-CB 4.17Å; W31-L33 HydrophobicContact CZ3-CB 3.96Å; L33-V35 HydrophobicContact CD2-CG2 3.96Å; L33-V35 HydrophobicContact CG-CG2 3.94Å; L33-I53 HydrophobicContact CD2-CG2 3.98Å; L33-L139 CarbonylContact O-C 3.57Å; L33-L139 WeakPolarHBondContact O-CA 3.28Å; L33-V140 HydrophobicContact CB-CB 4.43Å; L33-V140 PolarHBondContact N-O 2.64Å; L33-V140 PolarHBondContact O-N 2.96Å; L33-F176 HydrophobicContact CB-CZ 4.41Å; L33-F176 HydrophobicContact CD1-CD2 4.17Å; L33-F176 HydrophobicContact CD1-CE2 4.12Å; L33-F176 HydrophobicContact CD1-CG 4.43Å; L33-F176 HydrophobicContact CD1-CZ 4.37Å; L33-F176 HydrophobicContact CD2-CD1 3.78Å; L33-F176 HydrophobicContact CD2-CE1 3.79Å; L33-F176 HydrophobicContact CD2-CG 4.31Å; L33-F176 HydrophobicContact CD2-CZ 4.28Å; L33-F178 HydrophobicContact CD2-CZ 4.43Å; L33-V194 HydrophobicContact CD1-CG1 3.71Å; L33-R195 CarbonylContact C-O 3.51Å; L33-R195 WeakPolarHBondContact CA-O 3.3Å; L33-M196 HydrophobicContact CD1-CB 4.02Å; L33-M196 HydrophobicContact CD1-CG 4.4Å |
| 34 | E | 95.2 | Very high | 84.9 | Confident | 23 Ų | 23 | 35.5 Ų | 35.5 | 11% | 0.107 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 122.7 | 173.4 | -175.4 | -171 | 179 | 0 | 0 | 109.5 | R137 I138 L139 W159 V194 R195 Y197 | E34-R137 IonicContact OE1-NH1 2.81Å; E34-R137 PolarHBondContact OE1-NH1 2.84Å; E34-I138 WeakPolarHBondContact CA-O 3.38Å; E34-L139 HydrophobicContact CB-CD1 4.29Å; E34-W159 HydrophobicContact CG-CH2 3.97Å; E34-W159 HydrophobicContact CG-CZ2 4.13Å; E34-V194 CarbonylContact O-C 3.49Å; E34-V194 WeakPolarHBondContact O-CA 3.39Å; E34-R195 HydrophobicContact CB-CB 4.36Å; E34-R195 PolarHBondContact N-O 3.29Å; E34-R195 PolarHBondContact O-N 3.19Å; E34-R195 IonicContact OE2-NH1 2.82Å; E34-Y197 HydrophobicContact CB-CE2 4.39Å; E34-Y197 PolarHBondContact OE2-OH 2.85Å |
| 35 | V | 95.7 | Very high | 83.2 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 123.2 | -179.4 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | L33 F37 I53 R137 I138 F178 I191 G193 V194 | L33-V35 HydrophobicContact CD2-CG2 3.96Å; L33-V35 HydrophobicContact CG-CG2 3.94Å; V35-F37 HydrophobicContact CG1-CD1 4.49Å; V35-I53 HydrophobicContact CG2-CD1 4.34Å; V35-R137 CarbonylContact O-C 3.2Å; V35-R137 VanDerWaalsContact O-CA 3.28Å; V35-R137 WeakPolarHBondContact O-CA 3.18Å; V35-I138 HydrophobicContact CB-CG2 3.79Å; V35-I138 HydrophobicContact CG2-CG2 4.46Å; V35-I138 PolarHBondContact N-O 2.93Å; V35-I138 PolarHBondContact O-N 2.8Å; V35-F178 HydrophobicContact CG1-CD1 4.46Å; V35-F178 HydrophobicContact CG1-CE1 4Å; V35-F178 HydrophobicContact CG2-CE1 3.67Å; V35-F178 HydrophobicContact CG2-CZ 4.09Å; V35-I191 HydrophobicContact CG1-CD1 4.32Å; V35-G193 CarbonylContact C-O 3.53Å; V35-G193 WeakPolarHBondContact CA-O 3.47Å; V35-V194 HydrophobicContact CG1-CG2 4.29Å; V35-V194 HydrophobicContact CG2-CG1 4.42Å |
| 36 | A | 94.5 | Very high | 81.2 | Confident | 16 Ų | 16 | 41.2 Ų | 41.2 | 13% | 0.132 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 125.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | T136 R137 I192 G193 | A36-T136 WeakPolarHBondContact CA-O 3.44Å; A36-R137 HydrophobicContact CB-CG 4.2Å; A36-I192 HydrophobicContact CB-CB 4.28Å; A36-I192 PolarHBondContact O-N 2.66Å; A36-G193 PolarHBondContact N-O 2.9Å; A36-G193 PolarHBondContact O-N 3.32Å |
| 37 | F | 94.9 | Very high | 80.1 | Confident | 7 Ų | 7 | 43.3 Ų | 43.3 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 164 | -174.9 | 68.8 | -81 | 0 | 0 | 0 | 111.4 | V35 V39 I51 L79 F129 T136 I138 D190 I191 | V35-F37 HydrophobicContact CG1-CD1 4.49Å; F37-V39 HydrophobicContact CD2-CG2 3.95Å; F37-V39 HydrophobicContact CE2-CG2 4.06Å; F37-I51 HydrophobicContact CD2-CD1 4.06Å; F37-L79 HydrophobicContact CE1-CD2 3.92Å; F37-L79 HydrophobicContact CE2-CD2 3.75Å; F37-L79 HydrophobicContact CZ-CD2 3.29Å; F37-F129 HydrophobicContact CE2-CB 4.28Å; F37-F129 AromaticContact CE2-CD2 3.69Å; F37-F129 HydrophobicContact CE2-CD2 3.69Å; F37-F129 HydrophobicContact CE2-CE2 4.18Å; F37-F129 AromaticContact CE2-CG 3.94Å; F37-F129 HydrophobicContact CE2-CG 3.94Å; F37-F129 HydrophobicContact CZ-CB 4.22Å; F37-F129 HydrophobicContact CZ-CD1 4.4Å; F37-F129 HydrophobicContact CZ-CD2 4.26Å; F37-F129 HydrophobicContact CZ-CG 4.04Å; F37-T136 WeakPolarHBondContact CE2-OG1 3.31Å; F37-T136 WeakPolarHBondContact CZ-OG1 3.29Å; F37-T136 PolarHBondContact N-O 3.19Å; F37-T136 PolarHBondContact O-N 2.73Å; F37-T136 VanDerWaalsContact O-O 3.14Å; F37-T136 PolarHBondContact O-OG1 2.86Å; F37-I138 HydrophobicContact CD1-CG2 4.13Å; F37-I138 HydrophobicContact CE1-CB 4.04Å; F37-I138 HydrophobicContact CE1-CG2 3.75Å; F37-D190 CarbonylContact C-O 3.47Å; F37-D190 WeakPolarHBondContact CA-O 3.01Å; F37-D190 WeakPolarHBondContact CB-O 3.22Å; F37-I191 HydrophobicContact CB-CD1 4.07Å |
| 38 | A | 91.6 | Very high | 79 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 5% | 0.05 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 132.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | D190 I192 | A38-D190 HydrophobicContact CB-CB 4.47Å; A38-D190 PolarHBondContact N-O 2.92Å; A38-D190 PolarHBondContact O-N 3Å; A38-I192 HydrophobicContact CB-CD1 3.8Å |
| 39 | V | 90.7 | Very high | 78.4 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 118.1 | 174.1 | -173.4 | 0 | 0 | 0 | 0 | 109 | F37 I51 T81 F129 R130 N131 D187 N188 | F37-V39 HydrophobicContact CD2-CG2 3.95Å; F37-V39 HydrophobicContact CE2-CG2 4.06Å; V39-I51 HydrophobicContact CG2-CD1 3.65Å; V39-I51 HydrophobicContact CG2-CG1 4.28Å; V39-T81 HydrophobicContact CG1-CG2 4.47Å; V39-F129 HydrophobicContact CB-CD2 4.25Å; V39-F129 HydrophobicContact CB-CE2 4.3Å; V39-F129 HydrophobicContact CG2-CD2 3.95Å; V39-F129 HydrophobicContact CG2-CE2 3.85Å; V39-R130 HydrophobicContact CG1-CG 4.25Å; V39-N131 PolarHBondContact O-N 3.47Å; V39-D187 HydrophobicContact CG1-CB 3.91Å; V39-N188 VanDerWaalsContact CA-O 3.31Å; V39-N188 WeakPolarHBondContact CA-O 3.44Å |
| 40 | R | 86 | Confident | 78.5 | Confident | 103 Ų | 103 | 37.5 Ų | 37.5 | 39% | 0.389 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 126.7 | -172.4 | -65.5 | 178.1 | 176.5 | 167.6 | -0.9 | 111.8 | N131 N188 | R40-N131 WeakPolarHBondContact CA-OD1 3.42Å; R40-N188 PolarHBondContact N-O 2.97Å; R40-N188 WeakPolarHBondContact O-CA 3.27Å; R40-N188 VanDerWaalsContact O-CB 3.28Å; R40-N188 WeakPolarHBondContact O-CB 3.48Å; R40-N188 PolarHBondContact O-N 3.06Å; R40-N188 PolarHBondContact O-ND2 2.86Å |
| 41 | G | 79.3 | Confident | 78.6 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 12% | 0.124 | 20% | 0.203 | C | C | . | . | trans | -151.5 | 165.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N131 D187 | G41-N131 PolarHBondContact N-OD1 2.81Å; G41-N131 VanDerWaalsContact N-OD1 3.09Å; G41-N131 PolarHBondContact O-ND2 3.28Å; G41-N131 PolarHBondContact O-OD1 3Å; G41-D187 WeakPolarHBondContact CA-OD1 3.45Å; G41-D187 PolarHBondContact N-OD1 3.01Å | ||
| 42 | K | 69.1 | Low | 78.6 | Confident | 186 Ų | 186 | 37 Ų | 37 | 81% | 0.809 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -77.3 | -26.8 | -167.6 | -67.6 | 164.1 | -172.8 | 168.2 | 0 | 113.7 | D12 | D12-K42 WeakPolarHBondContact OD2-CD 3.32Å; D12-K42 VanDerWaalsContact OD2-CG 3.26Å; D12-K42 WeakPolarHBondContact OD2-CG 3.39Å; D12-K42 PolarHBondContact OD2-N 3.19Å; D12-K42 VanDerWaalsContact OD2-N 3.09Å |
| 43 | T | 50.5 | Low | 78.7 | Confident | 59 Ų | 59 | 36.1 Ų | 36.1 | 36% | 0.362 | 20% | 0.199 | S | C | . | . | trans | -90.5 | 131.3 | -172.4 | 31.9 | 0 | 0 | 0 | 0 | 112.5 | R130 | T43-R130 PolarHBondContact O-NH1 3.15Å; T43-R130 PolarHBondContact O-NH2 3.24Å | ||
| 44 | G | 54.4 | Low | 78.7 | Confident | 63 Ų | 63 | 36.1 Ų | 36.1 | 65% | 0.649 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -52.9 | -92.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | R130 | G44-R130 PolarHBondContact O-NH1 2.79Š|
| 45 | T | 48.3 | Very low | 78.7 | Confident | 118 Ų | 118 | 35.2 Ų | 35.2 | 72% | 0.724 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -91.9 | 3.1 | -175.5 | 56.5 | 0 | 0 | 0 | 0 | 114.1 | Y47 | T45-Y47 VanDerWaalsContact O-CE2 3.25Å; T45-Y47 WeakPolarHBondContact O-CE2 3.45Å |
| 46 | L | 45 | Very low | 78.6 | Confident | 57 Ų | 57 | 35.3 Ų | 35.3 | 30% | 0.298 | 20% | 0.195 | S | C | . | . | trans | -104.7 | 128.4 | 177.1 | -71.4 | 161.2 | 0 | 0 | 0 | 107.1 | Y82 R130 L185 | L46-Y82 HydrophobicContact CD2-CE2 4.11Å; L46-R130 PolarHBondContact O-NH2 2.93Å; L46-L185 HydrophobicContact CB-CD1 3.88Å; L46-L185 HydrophobicContact CB-CD2 3.82Å; L46-L185 HydrophobicContact CB-CG 4.5Å; L46-L185 HydrophobicContact CD2-CD1 3.94Å; L46-L185 HydrophobicContact CG-CD1 4.49Å | ||
| 47 | Y | 63.5 | Low | 78.4 | Confident | 53 Ų | 53 | 37.8 Ų | 37.8 | 21% | 0.208 | 20% | 0.203 | C | C | . | . | trans | -115.4 | 149.8 | -165 | -53.9 | -69.7 | 0 | 0 | 0 | 110.2 | T45 T81 Y82 R130 L185 | T45-Y47 VanDerWaalsContact O-CE2 3.25Å; T45-Y47 WeakPolarHBondContact O-CE2 3.45Å; Y47-T81 VanDerWaalsContact CB-C 3.46Å; Y47-T81 WeakPolarHBondContact CB-O 3.33Å; Y47-T81 WeakPolarHBondContact CD2-O 3.31Å; Y47-Y82 HydrophobicContact CD2-CD2 4.4Å; Y47-R130 VanDerWaalsContact CD1-NH1 3.31Å; Y47-L185 WeakPolarHBondContact O-CB 3.36Å; Y47-L185 VanDerWaalsContact O-CD1 3.23Å; Y47-L185 WeakPolarHBondContact O-CD1 3.36Å | ||
| 48 | G | 58.8 | Low | 78 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -65.5 | 171.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111 | G50 T81 Y82 D187 | G48-G50 PolarHBondContact O-N 3.49Å; G48-T81 WeakPolarHBondContact O-CB 3.21Å; G48-T81 PolarHBondContact O-OG1 3Å; G48-Y82 WeakPolarHBondContact O-CB 3.48Å; G48-D187 PolarHBondContact N-OD2 2.96Å | ||
| 49 | D | 71.2 | Confident | 77.8 | Confident | 37 Ų | 37 | 41.9 Ų | 41.9 | 20% | 0.198 | 23% | 0.227 | C | C | . | . | trans | -63.3 | -44.6 | -175.1 | -57.2 | -28.8 | 0 | 0 | 0 | 111.2 | F66 D80 T81 G183 | D49-F66 HydrophobicContact CB-CE1 4.47Å; D49-F66 VanDerWaalsContact O-CE1 3.25Å; D49-F66 WeakPolarHBondContact O-CE1 3.4Å; D49-D80 VanDerWaalsContact O-OD1 3.08Å; D49-T81 PolarHBondContact O-N 2.82Å; D49-T81 PolarHBondContact O-OG1 2.93Å; D49-G183 PolarHBondContact OD2-N 2.85Å | ||
| 50 | G | 85.2 | Confident | 77.4 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.5 | -153.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G48 L79 T81 A180 | G48-G50 PolarHBondContact O-N 3.49Å; G50-L79 WeakPolarHBondContact CA-O 3.44Å; G50-T81 VanDerWaalsContact CA-OG1 3.27Å; G50-T81 WeakPolarHBondContact CA-OG1 3.25Å; G50-T81 PolarHBondContact N-OG1 3.33Å; G50-A180 WeakPolarHBondContact O-CB 3.19Å |
| 51 | I | 92.2 | Very high | 77.3 | Confident | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 141.5 | -179.3 | -56.2 | -177.2 | 0 | 0 | 0 | 110.4 | F37 V39 L79 S179 A180 H189 | F37-I51 HydrophobicContact CD2-CD1 4.06Å; V39-I51 HydrophobicContact CG2-CD1 3.65Å; V39-I51 HydrophobicContact CG2-CG1 4.28Å; I51-L79 HydrophobicContact CB-CB 4.46Å; I51-L79 PolarHBondContact N-O 3.48Å; I51-L79 VanDerWaalsContact N-O 3.09Å; I51-L79 WeakPolarHBondContact O-CA 3.49Å; I51-L79 WeakPolarHBondContact O-CB 3.42Å; I51-L79 PolarHBondContact O-N 3.21Å; I51-S179 WeakPolarHBondContact CA-O 3.4Å; I51-A180 HydrophobicContact CG1-CB 4.34Å; I51-H189 HydrophobicContact CD1-CB 3.84Å; I51-H189 HydrophobicContact CG1-CB 3.96Å; I51-H189 WeakPolarHBondContact CG1-CD2 3.31Å |
| 52 | A | 94.1 | Very high | 77.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 139.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W54 F66 V77 F78 F178 S179 | A52-W54 HydrophobicContact CB-CD2 4.48Å; A52-W54 HydrophobicContact CB-CH2 4.47Å; A52-W54 HydrophobicContact CB-CZ2 3.5Å; A52-F66 HydrophobicContact CB-CB 3.72Å; A52-F66 HydrophobicContact CB-CD2 4.4Å; A52-F66 HydrophobicContact CB-CG 4.06Å; A52-V77 WeakPolarHBondContact CA-O 3.44Å; A52-F78 HydrophobicContact CB-CD1 3.81Å; A52-F78 HydrophobicContact CB-CE1 4.14Å; A52-F178 WeakPolarHBondContact O-CA 3.28Å; A52-S179 PolarHBondContact N-O 2.88Å; A52-S179 PolarHBondContact O-N 3.48Å |
| 53 | I | 96.5 | Very high | 78.4 | Confident | 9 Ų | 9 | 38.5 Ų | 38.5 | 5% | 0.046 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125.2 | 171 | -54 | 171.6 | 0 | 0 | 0 | 107.9 | L33 V35 A76 V77 L79 I138 G177 F178 | L33-I53 HydrophobicContact CD2-CG2 3.98Å; V35-I53 HydrophobicContact CG2-CD1 4.34Å; I53-A76 CarbonylContact O-C 3.52Å; I53-A76 WeakPolarHBondContact O-CA 3.35Å; I53-V77 HydrophobicContact CB-CB 4.29Å; I53-V77 PolarHBondContact N-O 3.43Å; I53-V77 PolarHBondContact O-N 3.33Å; I53-L79 HydrophobicContact CD1-CD1 3.99Å; I53-L79 HydrophobicContact CG1-CD1 4.14Å; I53-I138 HydrophobicContact CD1-CD1 4.46Å; I53-I138 HydrophobicContact CD1-CG2 3.84Å; I53-G177 CarbonylContact C-O 3.59Å; I53-G177 WeakPolarHBondContact CA-O 3.43Å; I53-F178 HydrophobicContact CB-CD1 4.48Å; I53-F178 HydrophobicContact CB-CE1 4.49Å; I53-F178 HydrophobicContact CG1-CD1 4.05Å; I53-F178 HydrophobicContact CG1-CE1 4.18Å; I53-F178 HydrophobicContact CG2-CD1 4.21Å; I53-F178 HydrophobicContact CG2-CE1 3.81Å |
| 54 | W | 96.3 | Very high | 79.9 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 145.2 | -171.8 | -56.7 | 95.2 | 0 | 0 | 0 | 110.9 | W21 A52 T56 V65 F72 L75 A76 F78 F176 G177 S179 | W21-W54 HydrophobicContact CH2-CB 3.51Å; W21-W54 HydrophobicContact CH2-CD2 4.45Å; W21-W54 AromaticContact CH2-CG 3.72Å; W21-W54 HydrophobicContact CH2-CG 3.72Å; W21-W54 HydrophobicContact CZ2-CB 4.37Å; W21-W54 HydrophobicContact CZ2-CG 4.19Å; W21-W54 HydrophobicContact CZ3-CB 3.78Å; W21-W54 HydrophobicContact CZ3-CG 4.44Å; A52-W54 HydrophobicContact CB-CD2 4.48Å; A52-W54 HydrophobicContact CB-CH2 4.47Å; A52-W54 HydrophobicContact CB-CZ2 3.5Å; W54-T56 HydrophobicContact CB-CG2 4.14Å; W54-T56 HydrophobicContact CE3-CG2 3.93Å; W54-V65 HydrophobicContact CH2-CB 4.1Å; W54-V65 HydrophobicContact CH2-CG1 3.68Å; W54-V65 HydrophobicContact CZ2-CG1 4.22Å; W54-V65 WeakPolarHBondContact CZ2-O 3.46Å; W54-F72 HydrophobicContact CE3-CD1 4.37Å; W54-F72 HydrophobicContact CE3-CD2 4.39Å; W54-F72 HydrophobicContact CE3-CG 4.28Å; W54-F72 HydrophobicContact CH2-CD1 4.25Å; W54-F72 HydrophobicContact CH2-CE1 4.33Å; W54-F72 HydrophobicContact CZ3-CB 4.5Å; W54-F72 AromaticContact CZ3-CD1 3.48Å; W54-F72 HydrophobicContact CZ3-CD1 3.48Å; W54-F72 VanDerWaalsContact CZ3-CD1 3.48Å; W54-F72 HydrophobicContact CZ3-CD2 4.21Å; W54-F72 AromaticContact CZ3-CE1 3.61Å; W54-F72 HydrophobicContact CZ3-CE1 3.61Å; W54-F72 HydrophobicContact CZ3-CE2 4.29Å; W54-F72 AromaticContact CZ3-CG 3.81Å; W54-F72 HydrophobicContact CZ3-CG 3.81Å; W54-F72 HydrophobicContact CZ3-CZ 4.02Å; W54-L75 CarbonylContact C-O 3.51Å; W54-A76 HydrophobicContact CD2-CB 4.33Å; W54-A76 HydrophobicContact CE3-CB 3.5Å; W54-A76 VanDerWaalsContact CE3-CB 3.5Å; W54-A76 HydrophobicContact CH2-CB 4.15Å; W54-A76 HydrophobicContact CZ3-CB 3.39Å; W54-F78 AromaticContact CH2-CE1 3.84Å; W54-F78 HydrophobicContact CH2-CE1 3.84Å; W54-F78 HydrophobicContact CH2-CZ 4.37Å; W54-F78 HydrophobicContact CZ2-CE1 4.26Å; W54-F78 HydrophobicContact CZ3-CE1 4.38Å; W54-F176 CarbonylContact O-C 3.56Å; W54-F176 WeakPolarHBondContact O-CA 3.43Å; W54-F176 WeakPolarHBondContact O-CD1 3.25Å; W54-G177 PolarHBondContact N-O 2.97Å; W54-G177 PolarHBondContact O-N 2.85Å; W54-S179 PolarHBondContact NE1-OG 3.09Å |
| 55 | Y | 95.6 | Very high | 81.5 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 87.2 | 162.8 | -178.9 | -109.1 | 0 | 0 | 0 | 107.9 | V26 W31 G74 L75 L170 P171 Y174 H175 F176 | V26-Y55 HydrophobicContact CB-CE2 3.66Å; V26-Y55 HydrophobicContact CG1-CE2 4.28Å; V26-Y55 HydrophobicContact CG2-CD2 4.42Å; V26-Y55 HydrophobicContact CG2-CE2 3.71Å; V26-Y55 PolarHBondContact O-OH 3.3Å; W31-Y55 HydrophobicContact CZ2-CD1 4.46Å; W31-Y55 HydrophobicContact CZ2-CG 4.33Å; Y55-G74 CarbonylContact O-C 3.49Å; Y55-G74 VanDerWaalsContact O-CA 3.23Å; Y55-G74 WeakPolarHBondContact O-CA 3.15Å; Y55-L75 PolarHBondContact N-O 3.29Å; Y55-L75 PolarHBondContact O-N 3.02Å; Y55-L170 HydrophobicContact CD1-CB 4.44Å; Y55-L170 HydrophobicContact CD1-CD1 4.21Å; Y55-L170 HydrophobicContact CE1-CB 4.12Å; Y55-P171 WeakPolarHBondContact CE1-O 3.1Å; Y55-P171 PolarHBondContact OH-O 2.87Å; Y55-Y174 HydrophobicContact CD1-CD2 4.44Å; Y55-Y174 HydrophobicContact CE1-CD2 4.37Å; Y55-Y174 HydrophobicContact CE1-CG 4.35Å; Y55-Y174 WeakPolarHBondContact CE2-O 3.4Å; Y55-H175 CarbonylContact C-O 3.52Å; Y55-H175 WeakPolarHBondContact CA-O 3.49Å; Y55-F176 AromaticContact CD2-CD1 3.8Å; Y55-F176 HydrophobicContact CD2-CD1 3.8Å; Y55-F176 AromaticContact CD2-CE1 3.56Å; Y55-F176 HydrophobicContact CD2-CE1 3.56Å; Y55-F176 HydrophobicContact CD2-CE2 4.42Å; Y55-F176 HydrophobicContact CD2-CG 4.3Å; Y55-F176 AromaticContact CD2-CZ 3.9Å; Y55-F176 HydrophobicContact CD2-CZ 3.9Å; Y55-F176 HydrophobicContact CE2-CE1 4.42Å; Y55-F176 HydrophobicContact CE2-CZ 4.33Å; Y55-F176 HydrophobicContact CG-CD1 4.43Å; Y55-F176 HydrophobicContact CG-CE1 4.08Å |
| 56 | T | 93.4 | Very high | 83.4 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 159.1 | -163.7 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | W21 W54 F72 K73 Y174 H175 | W21-T56 WeakPolarHBondContact CH2-OG1 3.31Å; W21-T56 VanDerWaalsContact CZ3-OG1 3.23Å; W21-T56 WeakPolarHBondContact CZ3-OG1 3.43Å; W54-T56 HydrophobicContact CB-CG2 4.14Å; W54-T56 HydrophobicContact CE3-CG2 3.93Å; T56-F72 HydrophobicContact CG2-CB 3.98Å; T56-F72 HydrophobicContact CG2-CD2 3.64Å; T56-F72 HydrophobicContact CG2-CG 4.12Å; T56-K73 CarbonylContact C-O 3.58Å; T56-K73 WeakPolarHBondContact CA-O 3.23Å; T56-K73 WeakPolarHBondContact CB-O 3.3Å; T56-Y174 VanDerWaalsContact C-CD2 3.46Å; T56-Y174 CarbonylContact O-C 3.59Å; T56-Y174 WeakPolarHBondContact O-CA 3.16Å; T56-Y174 WeakPolarHBondContact O-CB 3.3Å; T56-H175 PolarHBondContact N-O 3.34Å; T56-H175 PolarHBondContact O-N 3.28Å |
| 57 | K | 89.6 | Confident | 85.5 | Confident | 68 Ų | 68 | 28.5 Ų | 28.5 | 30% | 0.296 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -65.1 | -48.3 | 178.1 | -169.1 | -179 | 177.8 | -178 | 0 | 112.7 | P59 K73 Y174 D1758 | K57-P59 WeakPolarHBondContact O-CD 3.27Å; K57-K73 HydrophobicContact CB-CB 4.14Å; K57-K73 PolarHBondContact N-O 2.92Å; K57-Y174 HydrophobicContact CB-CD1 4.12Å; K57-Y174 HydrophobicContact CB-CD2 4.41Å; K57-Y174 HydrophobicContact CB-CE1 3.75Å; K57-Y174 HydrophobicContact CB-CE2 4.05Å; K57-Y174 HydrophobicContact CB-CG 4.43Å; K57-Y174 HydrophobicContact CD-CE1 4.45Å; K57-Y174 HydrophobicContact CG-CD1 4.38Å; K57-Y174 HydrophobicContact CG-CE1 3.93Å; K57-D1758 WeakPolarHBondContact CE-OD2 3.13Å; K57-D1758 IonicContact NZ-OD2 2.67Å; K57-D1758 PolarHBondContact NZ-OD2 2.84Å |
| 58 | D | 86.3 | Confident | 86.8 | Confident | 56 Ų | 56 | 26.2 Ų | 26.2 | 30% | 0.299 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -101.1 | 98.9 | -173.3 | -47.8 | -33.6 | 0 | 0 | 0 | 109.8 | Q61 K69 | D58-Q61 HydrophobicContact CB-CG 4.02Å; D58-K69 IonicContact OD2-NZ 2.88Å; D58-K69 PolarHBondContact OD2-NZ 2.92Å |
| 59 | P | 87.4 | Confident | 88.2 | Confident | 44 Ų | 44 | 29.6 Ų | 29.6 | 29% | 0.286 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 153.8 | 177 | 31 | -35.7 | 0 | 0 | 0 | 112.3 | W21 K57 Q61 H175 | W21-P59 HydrophobicContact CB-CB 4.28Å; W21-P59 HydrophobicContact CD2-CB 3.89Å; W21-P59 HydrophobicContact CE3-CB 3.53Å; W21-P59 HydrophobicContact CG-CB 4.22Å; W21-P59 HydrophobicContact CZ3-CB 4.16Å; K57-P59 WeakPolarHBondContact O-CD 3.27Å; P59-Q61 VanDerWaalsContact C-N 3.26Å; P59-Q61 PolarHBondContact O-N 2.94Å; P59-H175 HydrophobicContact CB-CB 3.79Å; P59-H175 HydrophobicContact CG-CB 4.18Å |
| 60 | G | 82 | Confident | 88.9 | Confident | 39 Ų | 39 | 28.4 Ų | 28.4 | 40% | 0.402 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 5.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | W21 P62 | W21-G60 VanDerWaalsContact CD2-N 3.33Å; G60-P62 VanDerWaalsContact O-CD 3.29Å; G60-P62 WeakPolarHBondContact O-CD 3.45Å |
| 61 | Q | 85.7 | Confident | 89 | Confident | 95 Ų | 95 | 33.1 Ų | 33.1 | 44% | 0.444 | 19% | 0.188 | S | C | . | . | trans | -78.9 | 114.6 | 178.8 | -64.7 | -67.6 | -31.2 | 0 | 0 | 110.1 | D58 P59 S68 K69 | D58-Q61 HydrophobicContact CB-CG 4.02Å; P59-Q61 VanDerWaalsContact C-N 3.26Å; P59-Q61 PolarHBondContact O-N 2.94Å; Q61-S68 WeakPolarHBondContact O-CA 3.45Å; Q61-S68 PolarHBondContact O-OG 2.89Å; Q61-S68 VanDerWaalsContact O-OG 3.05Å; Q61-K69 HydrophobicContact CB-CB 3.8Å; Q61-K69 HydrophobicContact CB-CD 4.11Å; Q61-K69 HydrophobicContact CG-CD 4.39Å; Q61-K69 PolarHBondContact O-N 3.46Å | ||
| 62 | P | 84.7 | Confident | 89 | Confident | 79 Ų | 79 | 33.2 Ų | 33.2 | 51% | 0.513 | 19% | 0.188 | S | C | . | . | trans | -68.5 | 151.4 | 173.7 | 30.9 | -34 | 0 | 0 | 0 | 111.5 | G60 | G60-P62 VanDerWaalsContact O-CD 3.29Å; G60-P62 WeakPolarHBondContact O-CD 3.45Å | ||
| 63 | G | 86.2 | Confident | 88.8 | Confident | 18 Ų | 18 | 37 Ų | 37 | 19% | 0.186 | 20% | 0.204 | C | C | . | . | trans | -178.2 | -179.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V65 G67 S68 | G63-V65 VanDerWaalsContact C-N 3.27Å; G63-V65 PolarHBondContact O-N 3.07Å; G63-G67 PolarHBondContact N-O 2.83Å; G63-G67 CarbonylContact O-C 3.49Å; G63-G67 VanDerWaalsContact O-CA 3.27Å; G63-G67 WeakPolarHBondContact O-CA 3.49Å; G63-S68 CarbonylContact C-O 3.51Å; G63-S68 VanDerWaalsContact CA-C 3.42Å; G63-S68 WeakPolarHBondContact CA-O 3.44Å; G63-S68 PolarHBondContact O-N 3.49Å | ||
| 64 | P | 82.5 | Confident | 88.6 | Confident | 84 Ų | 84 | 36.5 Ų | 36.5 | 55% | 0.545 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -71.2 | -22.6 | -169.6 | 28.1 | -33.7 | 0 | 0 | 0 | 112.5 | F66 D70 H109 | P64-F66 PolarHBondContact O-N 3.06Å; P64-F66 VanDerWaalsContact O-N 3.16Å; P64-D70 HydrophobicContact CG-CB 3.97Å; P64-H109 VanDerWaalsContact C-NE2 3.32Å; P64-H109 PolarHBondContact O-CE1 2.92Å; P64-H109 PolarHBondContact O-NE2 3.05Å |
| 65 | V | 86.8 | Confident | 88.5 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -84.9 | 96.2 | -170.6 | -173.1 | 0 | 0 | 0 | 0 | 110.9 | W54 G63 G67 S68 D70 F78 Y107 H109 | W54-V65 HydrophobicContact CH2-CB 4.1Å; W54-V65 HydrophobicContact CH2-CG1 3.68Å; W54-V65 HydrophobicContact CZ2-CG1 4.22Å; W54-V65 WeakPolarHBondContact CZ2-O 3.46Å; G63-V65 VanDerWaalsContact C-N 3.27Å; G63-V65 PolarHBondContact O-N 3.07Å; V65-G67 PolarHBondContact O-N 2.93Å; V65-S68 PolarHBondContact N-O 3.28Å; V65-S68 PolarHBondContact O-N 3.12Å; V65-D70 HydrophobicContact CG2-CB 3.69Å; V65-F78 HydrophobicContact CG1-CE1 3.71Å; V65-F78 HydrophobicContact CG1-CZ 4.2Å; V65-Y107 HydrophobicContact CB-CD1 4.48Å; V65-Y107 HydrophobicContact CG1-CD1 3.64Å; V65-Y107 HydrophobicContact CG1-CD2 4.41Å; V65-Y107 HydrophobicContact CG1-CE1 4.22Å; V65-Y107 HydrophobicContact CG1-CG 3.75Å; V65-Y107 HydrophobicContact CG2-CD1 4.12Å; V65-Y107 HydrophobicContact CG2-CG 4.21Å; V65-H109 WeakPolarHBondContact CA-NE2 3.41Å |
| 66 | F | 89.3 | Confident | 88.4 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 1% | 0.013 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 32.2 | -176.9 | -65.8 | -97.5 | 0 | 0 | 0 | 112.4 | D49 A52 P64 F78 D80 Y107 S179 A180 | D49-F66 HydrophobicContact CB-CE1 4.47Å; D49-F66 VanDerWaalsContact O-CE1 3.25Å; D49-F66 WeakPolarHBondContact O-CE1 3.4Å; A52-F66 HydrophobicContact CB-CB 3.72Å; A52-F66 HydrophobicContact CB-CD2 4.4Å; A52-F66 HydrophobicContact CB-CG 4.06Å; P64-F66 PolarHBondContact O-N 3.06Å; P64-F66 VanDerWaalsContact O-N 3.16Å; F66-F78 AromaticContact CD2-CD1 3.73Å; F66-F78 HydrophobicContact CD2-CD1 3.73Å; F66-F78 HydrophobicContact CD2-CE1 4.14Å; F66-F78 HydrophobicContact CE2-CB 4.45Å; F66-F78 AromaticContact CE2-CD1 3.76Å; F66-F78 HydrophobicContact CE2-CD1 3.76Å; F66-F78 HydrophobicContact CE2-CE1 4.42Å; F66-F78 HydrophobicContact CE2-CG 4.35Å; F66-D80 HydrophobicContact CZ-CB 4.07Å; F66-Y107 HydrophobicContact CD2-CE1 4.46Å; F66-Y107 AromaticContact CE2-CE1 3.81Å; F66-Y107 HydrophobicContact CE2-CE1 3.81Å; F66-Y107 AromaticContact CE2-CZ 3.9Å; F66-S179 CarbonylContact O-C 3.52Å; F66-S179 VanDerWaalsContact O-C 3.27Å; F66-S179 WeakPolarHBondContact O-CB 3.43Å; F66-S179 PolarHBondContact O-OG 3.45Å; F66-A180 CarbonylContact O-C 3.57Å; F66-A180 WeakPolarHBondContact O-CA 3.33Å; F66-A180 PolarHBondContact O-N 3.09Å; F66-A180 VanDerWaalsContact O-N 3.13Å |
| 67 | G | 88.1 | Confident | 88.5 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 3.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q19 G63 V65 | Q19-G67 VanDerWaalsContact CD-O 3.29Å; Q19-G67 PolarHBondContact NE2-O 2.81Å; G63-G67 PolarHBondContact N-O 2.83Å; G63-G67 CarbonylContact O-C 3.49Å; G63-G67 VanDerWaalsContact O-CA 3.27Å; G63-G67 WeakPolarHBondContact O-CA 3.49Å; V65-G67 PolarHBondContact O-N 2.93Å |
| 68 | S | 91 | Very high | 88.7 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 3% | 0.028 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -122.6 | 169 | 176.9 | -161 | 0 | 0 | 0 | 0 | 113.7 | W21 Q61 G63 V65 D70 | W21-S68 WeakPolarHBondContact CZ2-OG 3.31Å; Q61-S68 WeakPolarHBondContact O-CA 3.45Å; Q61-S68 PolarHBondContact O-OG 2.89Å; Q61-S68 VanDerWaalsContact O-OG 3.05Å; G63-S68 CarbonylContact C-O 3.51Å; G63-S68 VanDerWaalsContact CA-C 3.42Å; G63-S68 WeakPolarHBondContact CA-O 3.44Å; G63-S68 PolarHBondContact O-N 3.49Å; V65-S68 PolarHBondContact N-O 3.28Å; V65-S68 PolarHBondContact O-N 3.12Å; S68-D70 PolarHBondContact O-N 3.49Å |
| 69 | K | 87.7 | Confident | 89 | Confident | 72 Ų | 72 | 30.6 Ų | 30.6 | 31% | 0.313 | 17% | 0.174 | S | C | . | . | trans | -57.4 | 132.3 | -177.9 | 180 | 179 | 173.3 | -175.3 | 0 | 111.6 | D58 Q61 F71 | D58-K69 IonicContact OD2-NZ 2.88Å; D58-K69 PolarHBondContact OD2-NZ 2.92Å; Q61-K69 HydrophobicContact CB-CB 3.8Å; Q61-K69 HydrophobicContact CB-CD 4.11Å; Q61-K69 HydrophobicContact CG-CD 4.39Å; Q61-K69 PolarHBondContact O-N 3.46Å; K69-F71 WeakPolarHBondContact CE-O 3.42Å | ||
| 70 | D | 85.8 | Confident | 89 | Confident | 12 Ų | 12 | 28.8 Ų | 28.8 | 6% | 0.064 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -71.7 | -54.8 | -177.4 | 169.8 | 45 | 0 | 0 | 0 | 114.2 | P64 V65 S68 F72 H106 Y107 | P64-D70 HydrophobicContact CG-CB 3.97Å; V65-D70 HydrophobicContact CG2-CB 3.69Å; S68-D70 PolarHBondContact O-N 3.49Å; D70-F72 WeakPolarHBondContact O-CD1 3.44Å; D70-F72 PolarHBondContact O-N 2.85Å; D70-H106 WeakPolarHBondContact OD1-CA 3.31Å; D70-H106 IonicContact OD1-CE1 3.67Å; D70-H106 IonicContact OD1-CG 3.24Å; D70-H106 IonicContact OD1-ND1 3.69Å; D70-H106 PolarHBondContact OD1-ND1 2.9Å; D70-H106 VanDerWaalsContact OD1-ND1 3.13Å; D70-H106 IonicContact OD2-CE1 2.71Å; D70-H106 IonicContact OD2-CG 3.32Å; D70-H106 IonicContact OD2-ND1 3.6Å; D70-H106 PolarHBondContact OD2-ND1 3.31Å; D70-Y107 PolarHBondContact OD1-N 3.08Å |
| 71 | F | 88.3 | Confident | 89 | Confident | 98 Ų | 98 | 26.9 Ų | 26.9 | 43% | 0.43 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -79.4 | 63.3 | 175.2 | -64.5 | -81.1 | 0 | 0 | 0 | 111.4 | K69 H106 | K69-F71 WeakPolarHBondContact CE-O 3.42Å; F71-H106 HydrophobicContact CE1-CB 4.11Å; F71-H106 HydrophobicContact CZ-CB 3.99Å |
| 72 | F | 91.6 | Very high | 88.5 | Confident | 6 Ų | 6 | 25.8 Ų | 25.8 | 3% | 0.026 | 14% | 0.135 | C | C | . | . | trans | -81.6 | 151.4 | 178.2 | 67.5 | -87.8 | 0 | 0 | 0 | 112 | W54 T56 D70 A76 M99 N101 G103 | W54-F72 HydrophobicContact CE3-CD1 4.37Å; W54-F72 HydrophobicContact CE3-CD2 4.39Å; W54-F72 HydrophobicContact CE3-CG 4.28Å; W54-F72 HydrophobicContact CH2-CD1 4.25Å; W54-F72 HydrophobicContact CH2-CE1 4.33Å; W54-F72 HydrophobicContact CZ3-CB 4.5Å; W54-F72 AromaticContact CZ3-CD1 3.48Å; W54-F72 HydrophobicContact CZ3-CD1 3.48Å; W54-F72 VanDerWaalsContact CZ3-CD1 3.48Å; W54-F72 HydrophobicContact CZ3-CD2 4.21Å; W54-F72 AromaticContact CZ3-CE1 3.61Å; W54-F72 HydrophobicContact CZ3-CE1 3.61Å; W54-F72 HydrophobicContact CZ3-CE2 4.29Å; W54-F72 AromaticContact CZ3-CG 3.81Å; W54-F72 HydrophobicContact CZ3-CG 3.81Å; W54-F72 HydrophobicContact CZ3-CZ 4.02Å; T56-F72 HydrophobicContact CG2-CB 3.98Å; T56-F72 HydrophobicContact CG2-CD2 3.64Å; T56-F72 HydrophobicContact CG2-CG 4.12Å; D70-F72 WeakPolarHBondContact O-CD1 3.44Å; D70-F72 PolarHBondContact O-N 2.85Å; F72-A76 HydrophobicContact CE1-CB 4.14Å; F72-A76 HydrophobicContact CE2-CB 3.79Å; F72-A76 HydrophobicContact CZ-CB 3.47Å; F72-A76 VanDerWaalsContact CZ-CB 3.47Å; F72-M99 HydrophobicContact CE1-SD 4.13Å; F72-M99 HydrophobicContact CZ-CB 4.31Å; F72-M99 HydrophobicContact CZ-CG 4.04Å; F72-M99 HydrophobicContact CZ-SD 4.02Å; F72-N101 HydrophobicContact CD2-CB 3.96Å; F72-N101 HydrophobicContact CE1-CB 4.16Å; F72-N101 HydrophobicContact CE2-CB 3.61Å; F72-N101 HydrophobicContact CG-CB 4.4Å; F72-N101 HydrophobicContact CZ-CB 3.71Å; F72-N101 VanDerWaalsContact O-CB 3.24Å; F72-N101 WeakPolarHBondContact O-CB 3.2Å; F72-N101 PolarHBondContact O-ND2 2.84Å; F72-G103 WeakPolarHBondContact O-CA 3.48Å; F72-G103 PolarHBondContact O-N 2.75Å; F72-G103 VanDerWaalsContact O-N 3.08Å | ||
| 73 | K | 90.1 | Very high | 87.6 | Confident | 79 Ų | 79 | 23.9 Ų | 23.9 | 34% | 0.343 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 112.9 | 168.9 | -59.3 | -165.1 | 173.9 | -171.8 | 0 | 108.6 | T56 K57 N101 N102 Y174 P216 | T56-K73 CarbonylContact C-O 3.58Å; T56-K73 WeakPolarHBondContact CA-O 3.23Å; T56-K73 WeakPolarHBondContact CB-O 3.3Å; K57-K73 HydrophobicContact CB-CB 4.14Å; K57-K73 PolarHBondContact N-O 2.92Å; K73-N101 CarbonylContact C-O 3.59Å; K73-N101 WeakPolarHBondContact CA-O 3.1Å; K73-N102 VanDerWaalsContact CE-O 3.3Å; K73-N102 WeakPolarHBondContact CE-O 3.44Å; K73-N102 WeakPolarHBondContact CG-O 3.5Å; K73-Y174 HydrophobicContact CB-CE2 4.42Å; K73-Y174 WeakPolarHBondContact O-CE2 3.4Å; K73-P216 HydrophobicContact CB-CG 4.42Å |
| 74 | G | 92.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 143.3 | -148.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y55 V100 N101 | Y55-G74 CarbonylContact O-C 3.49Å; Y55-G74 VanDerWaalsContact O-CA 3.23Å; Y55-G74 WeakPolarHBondContact O-CA 3.15Å; G74-V100 CarbonylContact O-C 3.54Å; G74-V100 WeakPolarHBondContact O-CA 3.18Å; G74-N101 PolarHBondContact N-O 3.33Å; G74-N101 PolarHBondContact O-N 3.38Å |
| 75 | L | 94.3 | Very high | 85.4 | Confident | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 139.3 | 177.1 | 167.3 | 73 | 0 | 0 | 0 | 109.8 | W54 Y55 V77 A98 M99 V100 L118 L147 L170 | W54-L75 CarbonylContact C-O 3.51Å; Y55-L75 PolarHBondContact N-O 3.29Å; Y55-L75 PolarHBondContact O-N 3.02Å; L75-V77 HydrophobicContact CD1-CG2 4.49Å; L75-V77 HydrophobicContact CD2-CG2 4.45Å; L75-V77 HydrophobicContact CG-CG2 4.41Å; L75-A98 HydrophobicContact CD1-CB 4.16Å; L75-M99 CarbonylContact C-O 3.56Å; L75-M99 WeakPolarHBondContact CA-O 3.48Å; L75-V100 HydrophobicContact CB-CG2 4.43Å; L75-V100 HydrophobicContact CD1-CG2 3.81Å; L75-L118 HydrophobicContact CD1-CD2 4.2Å; L75-L147 HydrophobicContact CD1-CD2 3.76Å; L75-L147 HydrophobicContact CD2-CD1 3.82Å; L75-L147 HydrophobicContact CD2-CD2 3.94Å; L75-L170 HydrophobicContact CB-CD1 4.32Å; L75-L170 HydrophobicContact CB-CD2 3.83Å; L75-L170 HydrophobicContact CD2-CD1 3.96Å |
| 76 | A | 93.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 138.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | I53 W54 F72 F78 A98 M99 | I53-A76 CarbonylContact O-C 3.52Å; I53-A76 WeakPolarHBondContact O-CA 3.35Å; W54-A76 HydrophobicContact CD2-CB 4.33Å; W54-A76 HydrophobicContact CE3-CB 3.5Å; W54-A76 VanDerWaalsContact CE3-CB 3.5Å; W54-A76 HydrophobicContact CH2-CB 4.15Å; W54-A76 HydrophobicContact CZ3-CB 3.39Å; F72-A76 HydrophobicContact CE1-CB 4.14Å; F72-A76 HydrophobicContact CE2-CB 3.79Å; F72-A76 HydrophobicContact CZ-CB 3.47Å; F72-A76 VanDerWaalsContact CZ-CB 3.47Å; A76-F78 HydrophobicContact CB-CE1 3.76Å; A76-F78 HydrophobicContact CB-CE2 3.9Å; A76-F78 HydrophobicContact CB-CZ 3.37Å; A76-A98 CarbonylContact O-C 3.55Å; A76-A98 WeakPolarHBondContact O-CA 3.05Å; A76-A98 WeakPolarHBondContact O-CB 3.21Å; A76-M99 PolarHBondContact N-O 2.95Å; A76-M99 PolarHBondContact O-N 2.76Å |
| 77 | V | 94.8 | Very high | 82 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 115.5 | 171 | -177.8 | 0 | 0 | 0 | 0 | 107.3 | A52 I53 L75 L79 V96 S97 A98 V140 | A52-V77 WeakPolarHBondContact CA-O 3.44Å; I53-V77 HydrophobicContact CB-CB 4.29Å; I53-V77 PolarHBondContact N-O 3.43Å; I53-V77 PolarHBondContact O-N 3.33Å; L75-V77 HydrophobicContact CD1-CG2 4.49Å; L75-V77 HydrophobicContact CD2-CG2 4.45Å; L75-V77 HydrophobicContact CG-CG2 4.41Å; V77-L79 HydrophobicContact CG1-CD1 4.47Å; V77-V96 HydrophobicContact CG1-CG1 4.13Å; V77-S97 CarbonylContact C-O 3.52Å; V77-S97 WeakPolarHBondContact CA-O 3.22Å; V77-S97 WeakPolarHBondContact CG1-O 3.39Å; V77-A98 HydrophobicContact CG2-CB 4.15Å; V77-V140 HydrophobicContact CG2-CG2 4.44Å |
| 78 | F | 93.1 | Very high | 80.3 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 129.5 | -176 | -52.9 | -71.6 | 0 | 0 | 0 | 109.9 | A52 W54 V65 F66 A76 V96 S97 M99 Y107 | A52-F78 HydrophobicContact CB-CD1 3.81Å; A52-F78 HydrophobicContact CB-CE1 4.14Å; W54-F78 AromaticContact CH2-CE1 3.84Å; W54-F78 HydrophobicContact CH2-CE1 3.84Å; W54-F78 HydrophobicContact CH2-CZ 4.37Å; W54-F78 HydrophobicContact CZ2-CE1 4.26Å; W54-F78 HydrophobicContact CZ3-CE1 4.38Å; V65-F78 HydrophobicContact CG1-CE1 3.71Å; V65-F78 HydrophobicContact CG1-CZ 4.2Å; F66-F78 AromaticContact CD2-CD1 3.73Å; F66-F78 HydrophobicContact CD2-CD1 3.73Å; F66-F78 HydrophobicContact CD2-CE1 4.14Å; F66-F78 HydrophobicContact CE2-CB 4.45Å; F66-F78 AromaticContact CE2-CD1 3.76Å; F66-F78 HydrophobicContact CE2-CD1 3.76Å; F66-F78 HydrophobicContact CE2-CE1 4.42Å; F66-F78 HydrophobicContact CE2-CG 4.35Å; A76-F78 HydrophobicContact CB-CE1 3.76Å; A76-F78 HydrophobicContact CB-CE2 3.9Å; A76-F78 HydrophobicContact CB-CZ 3.37Å; F78-V96 VanDerWaalsContact O-CA 3.3Å; F78-V96 WeakPolarHBondContact O-CA 3.15Å; F78-S97 PolarHBondContact N-O 3.4Å; F78-S97 PolarHBondContact O-N 2.87Å; F78-M99 HydrophobicContact CE2-CB 3.66Å; F78-M99 HydrophobicContact CE2-SD 4.49Å; F78-M99 HydrophobicContact CZ-CB 4.37Å; F78-Y107 HydrophobicContact CD1-CE2 4.3Å; F78-Y107 HydrophobicContact CD2-CD2 4.38Å; F78-Y107 AromaticContact CD2-CE2 3.61Å; F78-Y107 HydrophobicContact CD2-CE2 3.61Å; F78-Y107 HydrophobicContact CE1-CD2 4.28Å; F78-Y107 HydrophobicContact CE1-CE2 4.08Å; F78-Y107 AromaticContact CE2-CD2 3.62Å; F78-Y107 HydrophobicContact CE2-CD2 3.62Å; F78-Y107 AromaticContact CE2-CE2 3.3Å; F78-Y107 HydrophobicContact CE2-CE2 3.3Å; F78-Y107 HydrophobicContact CG-CE2 4.09Å; F78-Y107 AromaticContact CZ-CD2 3.56Å; F78-Y107 HydrophobicContact CZ-CD2 3.56Å; F78-Y107 AromaticContact CZ-CE2 3.56Å; F78-Y107 HydrophobicContact CZ-CE2 3.56Å; F78-Y107 HydrophobicContact CZ-CG 4.35Å |
| 79 | L | 92.7 | Very high | 78.6 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 76.3 | 170.3 | -68.8 | 86.6 | 0 | 0 | 0 | 106.6 | F37 G50 I51 I53 V77 V96 F129 I138 | F37-L79 HydrophobicContact CE1-CD2 3.92Å; F37-L79 HydrophobicContact CE2-CD2 3.75Å; F37-L79 HydrophobicContact CZ-CD2 3.29Å; G50-L79 WeakPolarHBondContact CA-O 3.44Å; I51-L79 HydrophobicContact CB-CB 4.46Å; I51-L79 PolarHBondContact N-O 3.48Å; I51-L79 VanDerWaalsContact N-O 3.09Å; I51-L79 WeakPolarHBondContact O-CA 3.49Å; I51-L79 WeakPolarHBondContact O-CB 3.42Å; I51-L79 PolarHBondContact O-N 3.21Å; I53-L79 HydrophobicContact CD1-CD1 3.99Å; I53-L79 HydrophobicContact CG1-CD1 4.14Å; V77-L79 HydrophobicContact CG1-CD1 4.47Å; L79-V96 HydrophobicContact CG-CG2 4.32Å; L79-F129 HydrophobicContact CB-CE1 4.02Å; L79-F129 HydrophobicContact CB-CZ 3.7Å; L79-F129 HydrophobicContact CD2-CD1 4.36Å; L79-F129 HydrophobicContact CD2-CE1 4Å; L79-F129 HydrophobicContact CD2-CZ 4.19Å; L79-F129 HydrophobicContact CG-CE1 4.37Å; L79-F129 HydrophobicContact CG-CZ 4.47Å; L79-I138 HydrophobicContact CD1-CD1 4.2Å; L79-I138 HydrophobicContact CD2-CD1 4.17Å; L79-I138 HydrophobicContact CG-CD1 4.4Å |
| 80 | D | 87.9 | Confident | 77 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.032 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 120.2 | -173.7 | -175.2 | -7.2 | 0 | 0 | 0 | 109.4 | D49 F66 Y82 H93 P94 Y95 | D49-D80 VanDerWaalsContact O-OD1 3.08Å; F66-D80 HydrophobicContact CZ-CB 4.07Å; D80-Y82 PolarHBondContact OD1-N 3.49Å; D80-H93 PolarHBondContact O-ND1 2.94Å; D80-H93 IonicContact OD1-ND1 2.73Å; D80-H93 IonicContact OD2-CE1 2.61Å; D80-H93 PolarHBondContact OD2-CE1 2.92Å; D80-H93 VanDerWaalsContact OD2-CE1 3.32Å; D80-H93 IonicContact OD2-ND1 2.75Å; D80-P94 CarbonylContact O-C 3.59Å; D80-P94 WeakPolarHBondContact O-CA 3.43Å; D80-Y95 PolarHBondContact N-O 3.2Å; D80-Y95 PolarHBondContact O-N 2.8Å |
| 81 | T | 82.3 | Confident | 76 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -94.6 | -18.4 | -179.1 | 41.1 | 0 | 0 | 0 | 0 | 112.5 | V39 Y47 G48 D49 G50 P94 F129 | V39-T81 HydrophobicContact CG1-CG2 4.47Å; Y47-T81 VanDerWaalsContact CB-C 3.46Å; Y47-T81 WeakPolarHBondContact CB-O 3.33Å; Y47-T81 WeakPolarHBondContact CD2-O 3.31Å; G48-T81 WeakPolarHBondContact O-CB 3.21Å; G48-T81 PolarHBondContact O-OG1 3Å; D49-T81 PolarHBondContact O-N 2.82Å; D49-T81 PolarHBondContact O-OG1 2.93Å; G50-T81 VanDerWaalsContact CA-OG1 3.27Å; G50-T81 WeakPolarHBondContact CA-OG1 3.25Å; G50-T81 PolarHBondContact N-OG1 3.33Å; T81-P94 HydrophobicContact CG2-CB 3.85Å; T81-P94 HydrophobicContact CG2-CG 3.97Å; T81-F129 HydrophobicContact CG2-CE2 3.42Å; T81-F129 VanDerWaalsContact CG2-CE2 3.42Å; T81-F129 HydrophobicContact CG2-CZ 3.59Å | ||
| 82 | Y | 74.2 | Confident | 75.1 | Confident | 71 Ų | 71 | 37.8 Ų | 37.8 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | trans | -114.6 | 159.3 | -174 | -168.1 | -119.2 | 0 | 0 | 0 | 112.4 | L46 Y47 G48 D80 N84 H93 L185 | L46-Y82 HydrophobicContact CD2-CE2 4.11Å; Y47-Y82 HydrophobicContact CD2-CD2 4.4Å; G48-Y82 WeakPolarHBondContact O-CB 3.48Å; D80-Y82 PolarHBondContact OD1-N 3.49Å; Y82-N84 WeakPolarHBondContact CD1-OD1 3.21Å; Y82-H93 PolarHBondContact O-CE1 3.43Å; Y82-H93 PolarHBondContact O-ND1 3.09Å; Y82-L185 HydrophobicContact CD2-CD1 3.67Å; Y82-L185 HydrophobicContact CE1-CD1 4.33Å; Y82-L185 HydrophobicContact CE2-CD1 3.26Å; Y82-L185 HydrophobicContact CG-CD1 4.37Å | ||
| 83 | T | 65.9 | Low | 74.3 | Confident | 39 Ų | 39 | 38 Ų | 38 | 24% | 0.239 | 21% | 0.206 | C | C | . | . | trans | -117 | 105.3 | 178 | -58.3 | 0 | 0 | 0 | 0 | 108.3 | P86 H93 | T83-P86 HydrophobicContact CG2-CB 4.21Å; T83-H93 PolarHBondContact OG1-CD2 2.99Å; T83-H93 VanDerWaalsContact OG1-CG 3.23Å | ||
| 84 | N | 64.9 | Low | 74.2 | Confident | 57 Ų | 57 | 34.3 Ų | 34.3 | 31% | 0.305 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -77.5 | -29.2 | 179.3 | -65.2 | 24 | 0 | 0 | 0 | 110.8 | Y82 H109 D112 | Y82-N84 WeakPolarHBondContact CD1-OD1 3.21Å; N84-H109 WeakPolarHBondContact CB-O 3.4Å; N84-H109 VanDerWaalsContact CG-O 3.26Å; N84-H109 PolarHBondContact ND2-O 2.91Å; N84-D112 VanDerWaalsContact CB-OD1 3.29Å; N84-D112 WeakPolarHBondContact CB-OD1 3.42Å; N84-D112 PolarHBondContact N-OD1 2.77Å; N84-D112 PolarHBondContact N-OD2 3.24Å |
| 85 | H | 58.3 | Low | 74 | Confident | 78 Ų | 78 | 34.9 Ų | 34.9 | 36% | 0.361 | 19% | 0.192 | S | C | . | . | trans | -128.7 | 82.2 | 179.1 | -141.6 | 78.6 | 0 | 0 | 0 | 113.6 | E87 A88 D110 D112 | H85-E87 PolarHBondContact O-N 2.86Å; H85-A88 HydrophobicContact CB-CB 4.03Å; H85-A88 VanDerWaalsContact CD2-CB 3.43Å; H85-A88 WeakPolarHBondContact CD2-CB 3.43Å; H85-A88 PolarHBondContact O-N 3.28Å; H85-A88 VanDerWaalsContact O-N 3.08Å; H85-D110 VanDerWaalsContact CB-O 3.31Å; H85-D110 WeakPolarHBondContact CB-O 3.47Å; H85-D110 PolarHBondContact ND1-O 3.04Å; H85-D112 PolarHBondContact N-OD2 3.4Å | ||
| 86 | P | 54.4 | Low | 73.8 | Confident | 107 Ų | 107 | 34.8 Ų | 34.8 | 70% | 0.695 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -14.7 | -176.7 | 21.1 | -31.2 | 0 | 0 | 0 | 114.7 | T83 | T83-P86 HydrophobicContact CG2-CB 4.21Š|
| 87 | E | 50 | Low | 73.7 | Confident | 146 Ų | 146 | 35 Ų | 35 | 68% | 0.682 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -17 | 177.1 | -69.6 | -163.4 | -160.5 | 0 | 0 | 115.2 | H85 K1431 | H85-E87 PolarHBondContact O-N 2.86Å; E87-K1431 IonicContact OE2-NZ 3.54Å; E87-K1431 PolarHBondContact OE2-NZ 3.25Å |
| 88 | A | 52.1 | Low | 73.6 | Confident | 49 Ų | 49 | 35 Ų | 35 | 41% | 0.405 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -25.4 | -166 | 0 | 0 | 0 | 0 | 0 | 115.1 | H85 | H85-A88 HydrophobicContact CB-CB 4.03Å; H85-A88 VanDerWaalsContact CD2-CB 3.43Å; H85-A88 WeakPolarHBondContact CD2-CB 3.43Å; H85-A88 PolarHBondContact O-N 3.28Å; H85-A88 VanDerWaalsContact O-N 3.08Å |
| 89 | H | 55 | Low | 73.5 | Confident | 15 Ų | 15 | 35 Ų | 35 | 7% | 0.069 | 19% | 0.193 | C | C | . | . | trans | -140.8 | 153 | -172.5 | 50.7 | 69.7 | 0 | 0 | 0 | 112.4 | H91 H93 D112 T114 H121 | H89-H91 AromaticContact CD2-CE1 4Å; H89-H91 AromaticContact CE1-CE1 3.62Å; H89-H91 AromaticContact CE1-ND1 3.91Å; H89-H91 AromaticContact CG-CE1 3.44Å; H89-H91 VanDerWaalsContact CG-CE1 3.44Å; H89-H91 AromaticContact CG-NE2 3.63Å; H89-H91 AromaticContact ND1-CE1 3.2Å; H89-H91 PolarHBondContact ND1-CE1 3.07Å; H89-H91 AromaticContact ND1-ND1 3.37Å; H89-H91 PolarHBondContact ND1-ND1 3.21Å; H89-H91 AromaticContact ND1-NE2 3.81Å; H89-H93 AromaticContact CE1-NE2 3.3Å; H89-H93 PolarHBondContact CE1-NE2 2.89Å; H89-H93 VanDerWaalsContact CE1-NE2 3.3Å; H89-H93 AromaticContact NE2-NE2 3.97Å; H89-D112 IonicContact CD2-OD2 3.83Å; H89-D112 IonicContact CE1-OD2 3.25Å; H89-D112 IonicContact NE2-OD2 3.57Å; H89-D112 PolarHBondContact NE2-OD2 2.8Å; H89-T114 HydrophobicContact CB-CG2 4.08Å; H89-H121 WeakPolarHBondContact CB-NE2 3.44Å | ||
| 90 | N | 55 | Low | 73.4 | Confident | 61 Ų | 61 | 35.2 Ų | 35.2 | 33% | 0.326 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -95.5 | 10.4 | -172.5 | -73.2 | -43.5 | 0 | 0 | 0 | 113.8 | E1393 S1394 | N90-E1393 HydrophobicContact CB-CB 4.02Å; N90-S1394 PolarHBondContact ND2-N 2.67Å |
| 91 | H | 65.4 | Low | 73.5 | Confident | 26 Ų | 26 | 35 Ų | 35 | 12% | 0.12 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -103.2 | 142.8 | -177 | 53.8 | 62.1 | 0 | 0 | 0 | 111.9 | H89 H93 Y95 | H89-H91 AromaticContact CD2-CE1 4Å; H89-H91 AromaticContact CE1-CE1 3.62Å; H89-H91 AromaticContact CE1-ND1 3.91Å; H89-H91 AromaticContact CG-CE1 3.44Å; H89-H91 VanDerWaalsContact CG-CE1 3.44Å; H89-H91 AromaticContact CG-NE2 3.63Å; H89-H91 AromaticContact ND1-CE1 3.2Å; H89-H91 PolarHBondContact ND1-CE1 3.07Å; H89-H91 AromaticContact ND1-ND1 3.37Å; H89-H91 PolarHBondContact ND1-ND1 3.21Å; H89-H91 AromaticContact ND1-NE2 3.81Å; H91-H93 AromaticContact CE1-NE2 3.48Å; H91-H93 PolarHBondContact CE1-NE2 2.97Å; H91-H93 AromaticContact ND1-CD2 3.86Å; H91-H93 AromaticContact ND1-NE2 3.46Å; H91-H93 PolarHBondContact ND1-NE2 3.09Å; H91-Y95 HydrophobicContact CB-CD2 3.62Å; H91-Y95 HydrophobicContact CB-CE2 3.45Å; H91-Y95 VanDerWaalsContact CB-CE2 3.45Å; H91-Y95 HydrophobicContact CB-CG 4.44Å; H91-Y95 AromaticContact CD2-CE1 3.64Å; H91-Y95 AromaticContact CD2-CE2 3.62Å; H91-Y95 AromaticContact CD2-CZ 3.36Å; H91-Y95 AromaticContact CE1-CD1 3.63Å; H91-Y95 AromaticContact CE1-CE1 3.85Å; H91-Y95 AromaticContact CE1-CG 3.84Å; H91-Y95 AromaticContact CG-CD2 3.53Å; H91-Y95 AromaticContact CG-CE2 3.42Å; H91-Y95 VanDerWaalsContact CG-CE2 3.42Å; H91-Y95 AromaticContact CG-CG 3.89Å; H91-Y95 AromaticContact CG-CZ 3.69Å; H91-Y95 AromaticContact ND1-CD1 3.85Å; H91-Y95 AromaticContact ND1-CD2 3.67Å; H91-Y95 AromaticContact ND1-CG 3.58Å; H91-Y95 AromaticContact NE2-CD1 3.8Å; H91-Y95 AromaticContact NE2-CE1 3.52Å; H91-Y95 AromaticContact NE2-CZ 3.78Å |
| 92 | A | 68 | Low | 73.6 | Confident | 45 Ų | 45 | 37.8 Ų | 37.8 | 37% | 0.372 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -82.7 | 145.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | T126 | A92-T126 HydrophobicContact CB-CG2 3.93Å; A92-T126 PolarHBondContact N-OG1 2.9Å; A92-T126 WeakPolarHBondContact O-CB 3.47Å; A92-T126 WeakPolarHBondContact O-CG2 3.45Å; A92-T126 PolarHBondContact O-OG1 3.22Å |
| 93 | H | 76 | Confident | 74.1 | Confident | 10 Ų | 10 | 35.5 Ų | 35.5 | 5% | 0.046 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -93.6 | 147.3 | 173 | -70.4 | -120.2 | 0 | 0 | 0 | 110.2 | D80 Y82 T83 H89 H91 | D80-H93 PolarHBondContact O-ND1 2.94Å; D80-H93 IonicContact OD1-ND1 2.73Å; D80-H93 IonicContact OD2-CE1 2.61Å; D80-H93 PolarHBondContact OD2-CE1 2.92Å; D80-H93 VanDerWaalsContact OD2-CE1 3.32Å; D80-H93 IonicContact OD2-ND1 2.75Å; Y82-H93 PolarHBondContact O-CE1 3.43Å; Y82-H93 PolarHBondContact O-ND1 3.09Å; T83-H93 PolarHBondContact OG1-CD2 2.99Å; T83-H93 VanDerWaalsContact OG1-CG 3.23Å; H89-H93 AromaticContact CE1-NE2 3.3Å; H89-H93 PolarHBondContact CE1-NE2 2.89Å; H89-H93 VanDerWaalsContact CE1-NE2 3.3Å; H89-H93 AromaticContact NE2-NE2 3.97Å; H91-H93 AromaticContact CE1-NE2 3.48Å; H91-H93 PolarHBondContact CE1-NE2 2.97Å; H91-H93 AromaticContact ND1-CD2 3.86Å; H91-H93 AromaticContact ND1-NE2 3.46Å; H91-H93 PolarHBondContact ND1-NE2 3.09Å |
| 94 | P | 87 | Confident | 74.6 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | S | Bend | cis | -70.8 | 137.4 | 6.9 | -17 | 31.1 | 0 | 0 | 0 | 114.1 | D80 T81 T126 S127 F129 R130 | D80-P94 CarbonylContact O-C 3.59Å; D80-P94 WeakPolarHBondContact O-CA 3.43Å; T81-P94 HydrophobicContact CG2-CB 3.85Å; T81-P94 HydrophobicContact CG2-CG 3.97Å; P94-T126 WeakPolarHBondContact O-CA 3.29Å; P94-S127 WeakPolarHBondContact CB-O 3.43Å; P94-S127 PolarHBondContact O-N 3.24Å; P94-F129 HydrophobicContact CB-CD1 4.19Å; P94-F129 HydrophobicContact CB-CE1 3.5Å; P94-F129 HydrophobicContact CB-CE2 4.13Å; P94-F129 HydrophobicContact CB-CZ 3.45Å; P94-F129 VanDerWaalsContact CB-CZ 3.45Å; P94-F129 HydrophobicContact CG-CE1 4.48Å; P94-F129 HydrophobicContact CG-CZ 4.3Å; P94-R130 HydrophobicContact CG-CB 4.42Å |
| 95 | Y | 88.2 | Confident | 75.3 | Confident | 13 Ų | 13 | 36.4 Ų | 36.4 | 5% | 0.051 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 136 | -174.1 | -169.6 | -109.5 | 0 | 0 | 0 | 110.9 | D80 H91 Q117 G124 C125 | D80-Y95 PolarHBondContact N-O 3.2Å; D80-Y95 PolarHBondContact O-N 2.8Å; H91-Y95 HydrophobicContact CB-CD2 3.62Å; H91-Y95 HydrophobicContact CB-CE2 3.45Å; H91-Y95 VanDerWaalsContact CB-CE2 3.45Å; H91-Y95 HydrophobicContact CB-CG 4.44Å; H91-Y95 AromaticContact CD2-CE1 3.64Å; H91-Y95 AromaticContact CD2-CE2 3.62Å; H91-Y95 AromaticContact CD2-CZ 3.36Å; H91-Y95 AromaticContact CE1-CD1 3.63Å; H91-Y95 AromaticContact CE1-CE1 3.85Å; H91-Y95 AromaticContact CE1-CG 3.84Å; H91-Y95 AromaticContact CG-CD2 3.53Å; H91-Y95 AromaticContact CG-CE2 3.42Å; H91-Y95 VanDerWaalsContact CG-CE2 3.42Å; H91-Y95 AromaticContact CG-CG 3.89Å; H91-Y95 AromaticContact CG-CZ 3.69Å; H91-Y95 AromaticContact ND1-CD1 3.85Å; H91-Y95 AromaticContact ND1-CD2 3.67Å; H91-Y95 AromaticContact ND1-CG 3.58Å; H91-Y95 AromaticContact NE2-CD1 3.8Å; H91-Y95 AromaticContact NE2-CE1 3.52Å; H91-Y95 AromaticContact NE2-CZ 3.78Å; Y95-Q117 PolarHBondContact OH-NE2 3.07Å; Y95-G124 WeakPolarHBondContact OH-CA 3.48Å; Y95-G124 PolarHBondContact OH-N 3.48Å; Y95-C125 VanDerWaalsContact CD2-C 3.49Å; Y95-C125 WeakPolarHBondContact CD2-O 3.34Å |
| 96 | V | 91.7 | Very high | 76.3 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 118.2 | 178 | -173.6 | 0 | 0 | 0 | 0 | 109.1 | V77 F78 L79 G124 C125 F129 I138 V149 F163 | V77-V96 HydrophobicContact CG1-CG1 4.13Å; F78-V96 VanDerWaalsContact O-CA 3.3Å; F78-V96 WeakPolarHBondContact O-CA 3.15Å; L79-V96 HydrophobicContact CG-CG2 4.32Å; V96-G124 CarbonylContact O-C 3.52Å; V96-G124 WeakPolarHBondContact O-CA 3.44Å; V96-C125 PolarHBondContact N-O 3.08Å; V96-C125 PolarHBondContact O-N 2.95Å; V96-F129 HydrophobicContact CG2-CE1 4.29Å; V96-I138 HydrophobicContact CG1-CD1 4.18Å; V96-V149 HydrophobicContact CG1-CG1 4.28Å; V96-F163 HydrophobicContact CG1-CE1 4.29Å |
| 97 | S | 91.4 | Very high | 77.6 | Confident | 6 Ų | 6 | 32 Ų | 32 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 171.7 | 178.8 | 74 | 0 | 0 | 0 | 0 | 110.8 | V77 F78 | V77-S97 CarbonylContact C-O 3.52Å; V77-S97 WeakPolarHBondContact CA-O 3.22Å; V77-S97 WeakPolarHBondContact CG1-O 3.39Å; F78-S97 PolarHBondContact N-O 3.4Å; F78-S97 PolarHBondContact O-N 2.87Å |
| 98 | A | 92.2 | Very high | 78.7 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 158.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | L75 A76 V77 Q117 L118 F163 | L75-A98 HydrophobicContact CD1-CB 4.16Å; A76-A98 CarbonylContact O-C 3.55Å; A76-A98 WeakPolarHBondContact O-CA 3.05Å; A76-A98 WeakPolarHBondContact O-CB 3.21Å; V77-A98 HydrophobicContact CG2-CB 4.15Å; A98-Q117 CarbonylContact O-C 3.53Å; A98-L118 HydrophobicContact CB-CB 4.16Å; A98-L118 HydrophobicContact CB-CD2 4.06Å; A98-L118 WeakPolarHBondContact O-CB 3.41Å; A98-L118 PolarHBondContact O-N 3Å; A98-F163 HydrophobicContact CB-CE2 4.15Å; A98-F163 HydrophobicContact CB-CZ 3.77Å |
| 99 | M | 90.3 | Very high | 79.5 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 135.6 | 176.4 | 175.9 | 178.5 | 177.2 | 0 | 0 | 109.3 | F72 L75 A76 F78 N101 L105 Y107 T116 | F72-M99 HydrophobicContact CE1-SD 4.13Å; F72-M99 HydrophobicContact CZ-CB 4.31Å; F72-M99 HydrophobicContact CZ-CG 4.04Å; F72-M99 HydrophobicContact CZ-SD 4.02Å; L75-M99 CarbonylContact C-O 3.56Å; L75-M99 WeakPolarHBondContact CA-O 3.48Å; A76-M99 PolarHBondContact N-O 2.95Å; A76-M99 PolarHBondContact O-N 2.76Å; F78-M99 HydrophobicContact CE2-CB 3.66Å; F78-M99 HydrophobicContact CE2-SD 4.49Å; F78-M99 HydrophobicContact CZ-CB 4.37Å; M99-N101 HydrophobicContact CE-CB 3.95Å; M99-L105 HydrophobicContact CE-CB 3.52Å; M99-L105 HydrophobicContact CE-CD1 4.3Å; M99-Y107 HydrophobicContact SD-CD2 3.97Å; M99-T116 VanDerWaalsContact CE-CB 3.48Å; M99-T116 HydrophobicContact CE-CG2 3.55Å; M99-T116 WeakPolarHBondContact SD-CB 3.37Å; M99-T116 HydrophobicContact SD-CG2 4.19Å; M99-T116 PolarHBondContact SD-OG1 3.27Å |
| 100 | V | 90.6 | Very high | 80 | Confident | 6 Ų | 6 | 29.9 Ų | 29.9 | 4% | 0.036 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 126 | 168.2 | 174.6 | 0 | 0 | 0 | 0 | 107.4 | G74 L75 L118 V168 L170 P216 A218 | G74-V100 CarbonylContact O-C 3.54Å; G74-V100 WeakPolarHBondContact O-CA 3.18Å; L75-V100 HydrophobicContact CB-CG2 4.43Å; L75-V100 HydrophobicContact CD1-CG2 3.81Å; V100-L118 HydrophobicContact CB-CD1 4.11Å; V100-L118 HydrophobicContact CG2-CD1 3.7Å; V100-L118 HydrophobicContact CG2-CD2 3.9Å; V100-L118 HydrophobicContact CG2-CG 4.37Å; V100-V168 HydrophobicContact CG2-CG1 3.91Å; V100-L170 HydrophobicContact CG2-CD2 4.3Å; V100-P216 HydrophobicContact CG1-CB 4.05Å; V100-A218 HydrophobicContact CB-CB 4.34Å; V100-A218 HydrophobicContact CG2-CB 4.48Å |
| 101 | N | 90.1 | Very high | 80.5 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 138.2 | -175.3 | -166.1 | 3 | 0 | 0 | 0 | 109.8 | F72 K73 G74 M99 G103 S104 L105 P216 | F72-N101 HydrophobicContact CD2-CB 3.96Å; F72-N101 HydrophobicContact CE1-CB 4.16Å; F72-N101 HydrophobicContact CE2-CB 3.61Å; F72-N101 HydrophobicContact CG-CB 4.4Å; F72-N101 HydrophobicContact CZ-CB 3.71Å; F72-N101 VanDerWaalsContact O-CB 3.24Å; F72-N101 WeakPolarHBondContact O-CB 3.2Å; F72-N101 PolarHBondContact O-ND2 2.84Å; K73-N101 CarbonylContact C-O 3.59Å; K73-N101 WeakPolarHBondContact CA-O 3.1Å; G74-N101 PolarHBondContact N-O 3.33Å; G74-N101 PolarHBondContact O-N 3.38Å; M99-N101 HydrophobicContact CE-CB 3.95Å; N101-G103 VanDerWaalsContact C-N 3.33Å; N101-G103 PolarHBondContact OD1-N 3.13Å; N101-S104 PolarHBondContact OD1-N 2.8Å; N101-L105 PolarHBondContact ND2-O 3.17Å; N101-L105 WeakPolarHBondContact OD1-CB 3.36Å; N101-L105 PolarHBondContact OD1-N 2.99Å; N101-P216 VanDerWaalsContact O-CG 3.31Å; N101-P216 WeakPolarHBondContact O-CG 3.32Å |
| 102 | N | 84.8 | Confident | 80.8 | Confident | 60 Ų | 60 | 30.3 Ų | 30.3 | 32% | 0.321 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 13.6 | 171.8 | 65.2 | -11.1 | 0 | 0 | 0 | 112.4 | K73 S104 | K73-N102 VanDerWaalsContact CE-O 3.3Å; K73-N102 WeakPolarHBondContact CE-O 3.44Å; K73-N102 WeakPolarHBondContact CG-O 3.5Å; N102-S104 WeakPolarHBondContact OD1-CB 3.46Å; N102-S104 PolarHBondContact OD1-N 2.86Å; N102-S104 PolarHBondContact OD1-OG 3.36Å |
| 103 | G | 83.9 | Confident | 81 | Confident | 23 Ų | 23 | 28.3 Ų | 28.3 | 24% | 0.237 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 87.9 | 7.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F72 N101 | F72-G103 WeakPolarHBondContact O-CA 3.48Å; F72-G103 PolarHBondContact O-N 2.75Å; F72-G103 VanDerWaalsContact O-N 3.08Å; N101-G103 VanDerWaalsContact C-N 3.33Å; N101-G103 PolarHBondContact OD1-N 3.13Å |
| 104 | S | 76.9 | Confident | 80.8 | Confident | 75 Ų | 75 | 28.7 Ų | 28.7 | 52% | 0.524 | 16% | 0.155 | S | C | . | . | trans | -100.5 | -16.5 | 179.5 | 68.7 | 0 | 0 | 0 | 0 | 114.3 | N101 N102 | N101-S104 PolarHBondContact OD1-N 2.8Å; N102-S104 WeakPolarHBondContact OD1-CB 3.46Å; N102-S104 PolarHBondContact OD1-N 2.86Å; N102-S104 PolarHBondContact OD1-OG 3.36Å | ||
| 105 | L | 79.4 | Confident | 80 | Confident | 40 Ų | 40 | 30.1 Ų | 30.1 | 21% | 0.209 | 16% | 0.161 | C | C | . | . | trans | -104.6 | 138.5 | -173.6 | -58.3 | 172.4 | 0 | 0 | 0 | 111.3 | M99 N101 T116 P224 | M99-L105 HydrophobicContact CE-CB 3.52Å; M99-L105 HydrophobicContact CE-CD1 4.3Å; N101-L105 PolarHBondContact ND2-O 3.17Å; N101-L105 WeakPolarHBondContact OD1-CB 3.36Å; N101-L105 PolarHBondContact OD1-N 2.99Å; L105-T116 HydrophobicContact CB-CG2 4.13Å; L105-T116 HydrophobicContact CD1-CG2 4.33Å; L105-P224 HydrophobicContact CD2-CB 4.47Å | ||
| 106 | H | 79.5 | Confident | 79.4 | Confident | 89 Ų | 89 | 29.7 Ų | 29.7 | 41% | 0.412 | 16% | 0.16 | S | C | . | . | trans | -90.2 | 139.3 | 171.7 | 174.2 | 66.2 | 0 | 0 | 0 | 110.7 | D70 F71 H115 | D70-H106 WeakPolarHBondContact OD1-CA 3.31Å; D70-H106 IonicContact OD1-CE1 3.67Å; D70-H106 IonicContact OD1-CG 3.24Å; D70-H106 IonicContact OD1-ND1 3.69Å; D70-H106 PolarHBondContact OD1-ND1 2.9Å; D70-H106 VanDerWaalsContact OD1-ND1 3.13Å; D70-H106 IonicContact OD2-CE1 2.71Å; D70-H106 IonicContact OD2-CG 3.32Å; D70-H106 IonicContact OD2-ND1 3.6Å; D70-H106 PolarHBondContact OD2-ND1 3.31Å; F71-H106 HydrophobicContact CE1-CB 4.11Å; F71-H106 HydrophobicContact CZ-CB 3.99Å; H106-H115 PolarHBondContact O-NE2 3.33Å; H106-H115 VanDerWaalsContact O-NE2 3.1Å | ||
| 107 | Y | 81.1 | Confident | 79 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | trans | -89.5 | 104.3 | 169.2 | -174 | -86.8 | 0 | 0 | 0 | 110.2 | V65 F66 D70 F78 M99 H109 G113 | V65-Y107 HydrophobicContact CB-CD1 4.48Å; V65-Y107 HydrophobicContact CG1-CD1 3.64Å; V65-Y107 HydrophobicContact CG1-CD2 4.41Å; V65-Y107 HydrophobicContact CG1-CE1 4.22Å; V65-Y107 HydrophobicContact CG1-CG 3.75Å; V65-Y107 HydrophobicContact CG2-CD1 4.12Å; V65-Y107 HydrophobicContact CG2-CG 4.21Å; F66-Y107 HydrophobicContact CD2-CE1 4.46Å; F66-Y107 AromaticContact CE2-CE1 3.81Å; F66-Y107 HydrophobicContact CE2-CE1 3.81Å; F66-Y107 AromaticContact CE2-CZ 3.9Å; D70-Y107 PolarHBondContact OD1-N 3.08Å; F78-Y107 HydrophobicContact CD1-CE2 4.3Å; F78-Y107 HydrophobicContact CD2-CD2 4.38Å; F78-Y107 AromaticContact CD2-CE2 3.61Å; F78-Y107 HydrophobicContact CD2-CE2 3.61Å; F78-Y107 HydrophobicContact CE1-CD2 4.28Å; F78-Y107 HydrophobicContact CE1-CE2 4.08Å; F78-Y107 AromaticContact CE2-CD2 3.62Å; F78-Y107 HydrophobicContact CE2-CD2 3.62Å; F78-Y107 AromaticContact CE2-CE2 3.3Å; F78-Y107 HydrophobicContact CE2-CE2 3.3Å; F78-Y107 HydrophobicContact CG-CE2 4.09Å; F78-Y107 AromaticContact CZ-CD2 3.56Å; F78-Y107 HydrophobicContact CZ-CD2 3.56Å; F78-Y107 AromaticContact CZ-CE2 3.56Å; F78-Y107 HydrophobicContact CZ-CE2 3.56Å; F78-Y107 HydrophobicContact CZ-CG 4.35Å; M99-Y107 HydrophobicContact SD-CD2 3.97Å; Y107-H109 AromaticContact CD1-CE1 3.97Å; Y107-H109 AromaticContact CD1-ND1 3.94Å; Y107-H109 AromaticContact CE1-CE1 3.89Å; Y107-H109 AromaticContact CE1-ND1 3.64Å; Y107-H109 PolarHBondContact O-N 3.47Å; Y107-G113 VanDerWaalsContact CE2-CA 3.46Å | ||
| 108 | D | 74.1 | Confident | 78.6 | Confident | 13 Ų | 13 | 29.6 Ų | 29.6 | 7% | 0.07 | 16% | 0.159 | C | C | . | . | trans | -75.9 | 105.3 | 176.4 | -170.9 | -12 | 0 | 0 | 0 | 110.9 | D110 R111 D112 G113 H115 | D108-D110 VanDerWaalsContact C-N 3.32Å; D108-D110 WeakPolarHBondContact OD1-CB 3.1Å; D108-D110 PolarHBondContact OD1-N 3.48Å; D108-R111 WeakPolarHBondContact OD2-CD 3.26Å; D108-R111 IonicContact OD2-NE 3.39Å; D108-D112 PolarHBondContact O-N 3.41Å; D108-G113 PolarHBondContact O-N 3.33Å; D108-H115 WeakPolarHBondContact CB-CE1 3.41Å; D108-H115 PolarHBondContact N-CE1 3.02Å; D108-H115 VanDerWaalsContact N-CE1 3.32Å | ||
| 109 | H | 68.9 | Low | 77.8 | Confident | 49 Ų | 49 | 30.4 Ų | 30.4 | 23% | 0.227 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -65.8 | -33 | 174.4 | -78.2 | -66.2 | 0 | 0 | 0 | 113.1 | P64 V65 N84 Y107 R111 D112 | P64-H109 VanDerWaalsContact C-NE2 3.32Å; P64-H109 PolarHBondContact O-CE1 2.92Å; P64-H109 PolarHBondContact O-NE2 3.05Å; V65-H109 WeakPolarHBondContact CA-NE2 3.41Å; N84-H109 WeakPolarHBondContact CB-O 3.4Å; N84-H109 VanDerWaalsContact CG-O 3.26Å; N84-H109 PolarHBondContact ND2-O 2.91Å; Y107-H109 AromaticContact CD1-CE1 3.97Å; Y107-H109 AromaticContact CD1-ND1 3.94Å; Y107-H109 AromaticContact CE1-CE1 3.89Å; Y107-H109 AromaticContact CE1-ND1 3.64Å; Y107-H109 PolarHBondContact O-N 3.47Å; H109-R111 PolarHBondContact O-N 2.79Å; H109-R111 VanDerWaalsContact O-N 3.09Å; H109-D112 PolarHBondContact O-N 3.39Å |
| 110 | D | 65.4 | Low | 76.8 | Confident | 104 Ų | 104 | 31 Ų | 31 | 56% | 0.556 | 17% | 0.174 | S | C | * | . | G | 310 helix | trans | -71.4 | -8.8 | -175.1 | -65.4 | -29.2 | 0 | 0 | 0 | 112.1 | H85 D108 | H85-D110 VanDerWaalsContact CB-O 3.31Å; H85-D110 WeakPolarHBondContact CB-O 3.47Å; H85-D110 PolarHBondContact ND1-O 3.04Å; D108-D110 VanDerWaalsContact C-N 3.32Å; D108-D110 WeakPolarHBondContact OD1-CB 3.1Å; D108-D110 PolarHBondContact OD1-N 3.48Å |
| 111 | R | 64.6 | Low | 75.7 | Confident | 89 Ų | 89 | 33.9 Ų | 33.9 | 34% | 0.336 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -128.4 | 20.2 | 179.2 | -60.5 | -173.7 | 177.1 | 179.4 | 2.8 | 113.5 | D108 H109 G113 T114 | D108-R111 WeakPolarHBondContact OD2-CD 3.26Å; D108-R111 IonicContact OD2-NE 3.39Å; H109-R111 PolarHBondContact O-N 2.79Å; H109-R111 VanDerWaalsContact O-N 3.09Å; R111-G113 PolarHBondContact O-N 3.28Å; R111-G113 VanDerWaalsContact O-N 3.11Å; R111-T114 PolarHBondContact O-N 2.83Å; R111-T114 PolarHBondContact O-OG1 3.04Å |
| 112 | D | 72.9 | Confident | 74.5 | Confident | 7 Ų | 7 | 37.8 Ų | 37.8 | 4% | 0.037 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 28.5 | 174.7 | -54.5 | -56.2 | 0 | 0 | 0 | 113.4 | N84 H85 H89 D108 H109 T114 | N84-D112 VanDerWaalsContact CB-OD1 3.29Å; N84-D112 WeakPolarHBondContact CB-OD1 3.42Å; N84-D112 PolarHBondContact N-OD1 2.77Å; N84-D112 PolarHBondContact N-OD2 3.24Å; H85-D112 PolarHBondContact N-OD2 3.4Å; H89-D112 IonicContact CD2-OD2 3.83Å; H89-D112 IonicContact CE1-OD2 3.25Å; H89-D112 IonicContact NE2-OD2 3.57Å; H89-D112 PolarHBondContact NE2-OD2 2.8Å; D108-D112 PolarHBondContact O-N 3.41Å; H109-D112 PolarHBondContact O-N 3.39Å; D112-T114 PolarHBondContact O-N 3.42Å; D112-T114 VanDerWaalsContact O-N 3.13Å |
| 113 | G | 73 | Confident | 74 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 9.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | Y107 D108 R111 H115 T116 Q117 | Y107-G113 VanDerWaalsContact CE2-CA 3.46Å; D108-G113 PolarHBondContact O-N 3.33Å; R111-G113 PolarHBondContact O-N 3.28Å; R111-G113 VanDerWaalsContact O-N 3.11Å; G113-H115 VanDerWaalsContact C-N 3.26Å; G113-H115 PolarHBondContact O-N 2.86Å; G113-T116 PolarHBondContact O-N 3.12Å; G113-T116 PolarHBondContact O-OG1 3.14Å; G113-Q117 PolarHBondContact O-N 3.45Å |
| 114 | T | 71.5 | Confident | 74 | Confident | 19 Ų | 19 | 38.2 Ų | 38.2 | 12% | 0.117 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -24.2 | -171.9 | 50.9 | 0 | 0 | 0 | 0 | 114.7 | H89 R111 D112 S222 | H89-T114 HydrophobicContact CB-CG2 4.08Å; R111-T114 PolarHBondContact O-N 2.83Å; R111-T114 PolarHBondContact O-OG1 3.04Å; D112-T114 PolarHBondContact O-N 3.42Å; D112-T114 VanDerWaalsContact O-N 3.13Å; T114-S222 PolarHBondContact O-OG 2.77Å |
| 115 | H | 69.3 | Low | 74.4 | Confident | 32 Ų | 32 | 35.9 Ų | 35.9 | 15% | 0.148 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -28.2 | 177.9 | 61.1 | -53.9 | 0 | 0 | 0 | 113 | H106 D108 G113 S222 | H106-H115 PolarHBondContact O-NE2 3.33Å; H106-H115 VanDerWaalsContact O-NE2 3.1Å; D108-H115 WeakPolarHBondContact CB-CE1 3.41Å; D108-H115 PolarHBondContact N-CE1 3.02Å; D108-H115 VanDerWaalsContact N-CE1 3.32Å; G113-H115 VanDerWaalsContact C-N 3.26Å; G113-H115 PolarHBondContact O-N 2.86Å; H115-S222 VanDerWaalsContact C-OG 3.28Å; H115-S222 WeakPolarHBondContact O-CB 3.33Å; H115-S222 PolarHBondContact O-OG 2.77Å |
| 116 | T | 76.2 | Confident | 74.8 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 6.6 | 179.6 | 49.3 | 0 | 0 | 0 | 0 | 113.8 | M99 L105 G113 L118 | M99-T116 VanDerWaalsContact CE-CB 3.48Å; M99-T116 HydrophobicContact CE-CG2 3.55Å; M99-T116 WeakPolarHBondContact SD-CB 3.37Å; M99-T116 HydrophobicContact SD-CG2 4.19Å; M99-T116 PolarHBondContact SD-OG1 3.27Å; L105-T116 HydrophobicContact CB-CG2 4.13Å; L105-T116 HydrophobicContact CD1-CG2 4.33Å; G113-T116 PolarHBondContact O-N 3.12Å; G113-T116 PolarHBondContact O-OG1 3.14Å; T116-L118 PolarHBondContact O-N 3.09Å |
| 117 | Q | 82.8 | Confident | 75 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | trans | -59.8 | 126.4 | -178.5 | -173.4 | 172.4 | -11.3 | 0 | 0 | 113.8 | Y95 A98 G113 G119 G120 K123 S222 | Y95-Q117 PolarHBondContact OH-NE2 3.07Å; A98-Q117 CarbonylContact O-C 3.53Å; G113-Q117 PolarHBondContact O-N 3.45Å; Q117-G119 PolarHBondContact O-N 3.35Å; Q117-G120 PolarHBondContact O-N 3.2Å; Q117-G120 VanDerWaalsContact O-N 3.11Å; Q117-K123 PolarHBondContact NE2-O 3.13Å; Q117-S222 PolarHBondContact N-OG 3.24Å; Q117-S222 PolarHBondContact O-OG 3.03Å; Q117-S222 VanDerWaalsContact O-OG 3.12Å | ||
| 118 | L | 82 | Confident | 75.2 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -64.5 | 125.9 | 177 | -175.6 | 68.1 | 0 | 0 | 0 | 111.1 | L75 A98 V100 T116 G120 K123 L147 V165 V168 A218 | L75-L118 HydrophobicContact CD1-CD2 4.2Å; A98-L118 HydrophobicContact CB-CB 4.16Å; A98-L118 HydrophobicContact CB-CD2 4.06Å; A98-L118 WeakPolarHBondContact O-CB 3.41Å; A98-L118 PolarHBondContact O-N 3Å; V100-L118 HydrophobicContact CB-CD1 4.11Å; V100-L118 HydrophobicContact CG2-CD1 3.7Å; V100-L118 HydrophobicContact CG2-CD2 3.9Å; V100-L118 HydrophobicContact CG2-CG 4.37Å; T116-L118 PolarHBondContact O-N 3.09Å; L118-G120 PolarHBondContact O-N 3.41Å; L118-K123 WeakPolarHBondContact O-CB 3.37Å; L118-L147 HydrophobicContact CD2-CD2 3.49Å; L118-L147 VanDerWaalsContact CD2-CD2 3.49Å; L118-V165 HydrophobicContact CD1-CG1 4.47Å; L118-V165 HydrophobicContact CG-CB 4.47Å; L118-V165 HydrophobicContact CG-CG1 4.23Å; L118-V165 HydrophobicContact CG-CG2 4.32Å; L118-V168 HydrophobicContact CD1-CG2 4.29Å; L118-V168 HydrophobicContact CD2-CG2 4.22Å; L118-A218 HydrophobicContact CD1-CB 3.27Å |
| 119 | G | 75.9 | Confident | 75.9 | Confident | 18 Ų | 18 | 38.5 Ų | 38.5 | 19% | 0.186 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | -8.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q117 K123 K220 | Q117-G119 PolarHBondContact O-N 3.35Å; G119-K123 WeakPolarHBondContact O-CG 3.07Å; G119-K220 VanDerWaalsContact CA-O 3.3Å; G119-K220 WeakPolarHBondContact CA-O 3.34Å; G119-K220 PolarHBondContact N-O 3.44Å |
| 120 | G | 70.6 | Confident | 76.7 | Confident | 14 Ų | 14 | 37.2 Ų | 37.2 | 14% | 0.144 | 19% | 0.188 | C | C | . | . | trans | 90.9 | 178.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q117 L118 E122 K123 | Q117-G120 PolarHBondContact O-N 3.2Å; Q117-G120 VanDerWaalsContact O-N 3.11Å; L118-G120 PolarHBondContact O-N 3.41Å; G120-E122 PolarHBondContact O-N 2.84Å; G120-K123 PolarHBondContact O-N 3.16Å | ||
| 121 | H | 66.8 | Low | 77.6 | Confident | 65 Ų | 65 | 36 Ų | 36 | 30% | 0.301 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -27.5 | -50 | 174.5 | 160.5 | 41.5 | 0 | 0 | 0 | 115.4 | H89 | H89-H121 WeakPolarHBondContact CB-NE2 3.44Š|
| 122 | E | 65 | Low | 78.6 | Confident | 83 Ų | 83 | 34.8 Ų | 34.8 | 39% | 0.388 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -26.1 | -175.8 | 47.8 | 61.1 | -156.9 | 0 | 0 | 117.2 | G120 G124 N1396 | G120-E122 PolarHBondContact O-N 2.84Å; E122-G124 PolarHBondContact O-N 3.45Å; E122-N1396 WeakPolarHBondContact OE1-CA 3.44Å; E122-N1396 PolarHBondContact OE1-N 2.81Å; E122-N1396 PolarHBondContact OE2-N 3.46Å; E122-N1396 PolarHBondContact OE2-ND2 3Å; E122-N1396 PolarHBondContact OE2-OD1 3.25Å |
| 123 | K | 75 | Confident | 78.8 | Confident | 78 Ų | 78 | 40.7 Ų | 40.7 | 34% | 0.339 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -104.7 | 67.3 | -156.4 | -74.4 | -79.5 | -171.8 | 173.5 | 0 | 111 | Q117 L118 G119 G120 T164 V165 | Q117-K123 PolarHBondContact NE2-O 3.13Å; L118-K123 WeakPolarHBondContact O-CB 3.37Å; G119-K123 WeakPolarHBondContact O-CG 3.07Å; G120-K123 PolarHBondContact O-N 3.16Å; K123-T164 PolarHBondContact NZ-O 2.79Å; K123-V165 HydrophobicContact CB-CG2 4.38Å; K123-V165 HydrophobicContact CD-CG2 4.23Å; K123-V165 HydrophobicContact CG-CG2 4.48Å |
| 124 | G | 82.7 | Confident | 79.2 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 14% | 0.144 | 22% | 0.222 | C | C | . | . | trans | -160.9 | 177.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y95 V96 E122 | Y95-G124 WeakPolarHBondContact OH-CA 3.48Å; Y95-G124 PolarHBondContact OH-N 3.48Å; V96-G124 CarbonylContact O-C 3.52Å; V96-G124 WeakPolarHBondContact O-CA 3.44Å; E122-G124 PolarHBondContact O-N 3.45Å | ||
| 125 | C | 86.4 | Confident | 79.7 | Confident | 26 Ų | 26 | 45.2 Ų | 45.2 | 18% | 0.176 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 143.9 | 176.9 | 76.1 | 0 | 0 | 0 | 0 | 112.4 | Y95 V96 S127 C162 | Y95-C125 VanDerWaalsContact CD2-C 3.49Å; Y95-C125 WeakPolarHBondContact CD2-O 3.34Å; V96-C125 PolarHBondContact N-O 3.08Å; V96-C125 PolarHBondContact O-N 2.95Å; C125-S127 PolarHBondContact O-N 2.84Å; C125-C162 HydrophobicContact CB-CB 4.01Å; C125-C162 WeakPolarHBondContact CB-SG 3.34Å; C125-C162 VanDerWaalsContact SG-CA 3.54Å; C125-C162 WeakPolarHBondContact SG-CB 3.3Å; C125-C162 CovalentContact SG-SG 2.02Å; C125-C162 PolarHBondContact SG-SG 3.22Å |
| 126 | T | 86.2 | Confident | 80.7 | Confident | 51 Ų | 51 | 43.8 Ų | 43.8 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 124.3 | 167.1 | -62 | 0 | 0 | 0 | 0 | 109.1 | A92 P94 Y128 | A92-T126 HydrophobicContact CB-CG2 3.93Å; A92-T126 PolarHBondContact N-OG1 2.9Å; A92-T126 WeakPolarHBondContact O-CB 3.47Å; A92-T126 WeakPolarHBondContact O-CG2 3.45Å; A92-T126 PolarHBondContact O-OG1 3.22Å; P94-T126 WeakPolarHBondContact O-CA 3.29Å; T126-Y128 HydrophobicContact CG2-CD2 4.22Å; T126-Y128 HydrophobicContact CG2-CE1 4.1Å; T126-Y128 HydrophobicContact CG2-CE2 3.57Å |
| 127 | S | 83.9 | Confident | 81.5 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | trans | -138.8 | 108.9 | -177 | -162.5 | 0 | 0 | 0 | 0 | 110.6 | P94 C125 F129 T151 V153 | P94-S127 WeakPolarHBondContact CB-O 3.43Å; P94-S127 PolarHBondContact O-N 3.24Å; C125-S127 PolarHBondContact O-N 2.84Å; S127-F129 VanDerWaalsContact C-N 3.31Å; S127-F129 WeakPolarHBondContact O-CD1 3.34Å; S127-F129 WeakPolarHBondContact O-CE1 3.45Å; S127-F129 PolarHBondContact O-N 3.01Å; S127-T151 PolarHBondContact OG-OG1 3.2Å; S127-V153 WeakPolarHBondContact OG-CG2 3.24Å | ||
| 128 | Y | 86.2 | Confident | 82.1 | Confident | 135 Ų | 135 | 47.5 Ų | 47.5 | 53% | 0.529 | 24% | 0.238 | S | C | . | . | trans | -81.9 | 65.7 | -171.3 | -62.1 | -81.5 | 0 | 0 | 0 | 112.9 | T126 K132 V153 | T126-Y128 HydrophobicContact CG2-CD2 4.22Å; T126-Y128 HydrophobicContact CG2-CE1 4.1Å; T126-Y128 HydrophobicContact CG2-CE2 3.57Å; Y128-K132 WeakPolarHBondContact O-CE 3.18Å; Y128-V153 VanDerWaalsContact O-CG1 3.28Å; Y128-V153 WeakPolarHBondContact O-CG1 3.2Å | ||
| 129 | F | 88.5 | Confident | 82.8 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | trans | -82.7 | -14.4 | -175.4 | 54.4 | -103.9 | 0 | 0 | 0 | 115.4 | F37 V39 L79 T81 P94 V96 S127 K132 T136 V153 | F37-F129 HydrophobicContact CE2-CB 4.28Å; F37-F129 AromaticContact CE2-CD2 3.69Å; F37-F129 HydrophobicContact CE2-CD2 3.69Å; F37-F129 HydrophobicContact CE2-CE2 4.18Å; F37-F129 AromaticContact CE2-CG 3.94Å; F37-F129 HydrophobicContact CE2-CG 3.94Å; F37-F129 HydrophobicContact CZ-CB 4.22Å; F37-F129 HydrophobicContact CZ-CD1 4.4Å; F37-F129 HydrophobicContact CZ-CD2 4.26Å; F37-F129 HydrophobicContact CZ-CG 4.04Å; V39-F129 HydrophobicContact CB-CD2 4.25Å; V39-F129 HydrophobicContact CB-CE2 4.3Å; V39-F129 HydrophobicContact CG2-CD2 3.95Å; V39-F129 HydrophobicContact CG2-CE2 3.85Å; L79-F129 HydrophobicContact CB-CE1 4.02Å; L79-F129 HydrophobicContact CB-CZ 3.7Å; L79-F129 HydrophobicContact CD2-CD1 4.36Å; L79-F129 HydrophobicContact CD2-CE1 4Å; L79-F129 HydrophobicContact CD2-CZ 4.19Å; L79-F129 HydrophobicContact CG-CE1 4.37Å; L79-F129 HydrophobicContact CG-CZ 4.47Å; T81-F129 HydrophobicContact CG2-CE2 3.42Å; T81-F129 VanDerWaalsContact CG2-CE2 3.42Å; T81-F129 HydrophobicContact CG2-CZ 3.59Å; P94-F129 HydrophobicContact CB-CD1 4.19Å; P94-F129 HydrophobicContact CB-CE1 3.5Å; P94-F129 HydrophobicContact CB-CE2 4.13Å; P94-F129 HydrophobicContact CB-CZ 3.45Å; P94-F129 VanDerWaalsContact CB-CZ 3.45Å; P94-F129 HydrophobicContact CG-CE1 4.48Å; P94-F129 HydrophobicContact CG-CZ 4.3Å; V96-F129 HydrophobicContact CG2-CE1 4.29Å; S127-F129 VanDerWaalsContact C-N 3.31Å; S127-F129 WeakPolarHBondContact O-CD1 3.34Å; S127-F129 WeakPolarHBondContact O-CE1 3.45Å; S127-F129 PolarHBondContact O-N 3.01Å; F129-K132 WeakPolarHBondContact O-CG 3.2Å; F129-T136 HydrophobicContact CB-CG2 3.96Å; F129-V153 HydrophobicContact CB-CG1 4.45Å; F129-V153 HydrophobicContact CB-CG2 4.12Å | ||
| 130 | R | 85.8 | Confident | 83.8 | Confident | 23 Ų | 23 | 47.1 Ų | 47.1 | 9% | 0.087 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -69.6 | 145.6 | -179 | -171.9 | 178.8 | 179.1 | -116 | -0.4 | 112.5 | V39 T43 G44 L46 Y47 P94 K132 D187 | V39-R130 HydrophobicContact CG1-CG 4.25Å; T43-R130 PolarHBondContact O-NH1 3.15Å; T43-R130 PolarHBondContact O-NH2 3.24Å; G44-R130 PolarHBondContact O-NH1 2.79Å; L46-R130 PolarHBondContact O-NH2 2.93Å; Y47-R130 VanDerWaalsContact CD1-NH1 3.31Å; P94-R130 HydrophobicContact CG-CB 4.42Å; R130-K132 PolarHBondContact O-N 3.07Å; R130-D187 IonicContact CZ-OD1 3.48Å; R130-D187 VanDerWaalsContact CZ-OD1 3.28Å; R130-D187 IonicContact CZ-OD2 2.83Å; R130-D187 VanDerWaalsContact NE-CG 3.31Å; R130-D187 IonicContact NE-OD1 2.78Å; R130-D187 PolarHBondContact NE-OD1 2.98Å; R130-D187 IonicContact NE-OD2 2.83Å; R130-D187 PolarHBondContact NE-OD2 3.35Å; R130-D187 IonicContact NH2-OD1 2.95Å; R130-D187 PolarHBondContact NH2-OD1 3.38Å; R130-D187 IonicContact NH2-OD2 3.22Å |
| 131 | N | 84.9 | Confident | 85.1 | Confident | 77 Ų | 77 | 50.7 Ų | 50.7 | 41% | 0.412 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 33.7 | 174.1 | -71.1 | -24.9 | 0 | 0 | 0 | 114 | V39 R40 G41 | V39-N131 PolarHBondContact O-N 3.47Å; R40-N131 WeakPolarHBondContact CA-OD1 3.42Å; G41-N131 PolarHBondContact N-OD1 2.81Å; G41-N131 VanDerWaalsContact N-OD1 3.09Å; G41-N131 PolarHBondContact O-ND2 3.28Å; G41-N131 PolarHBondContact O-OD1 3Å |
| 132 | K | 84.6 | Confident | 86.4 | Confident | 64 Ų | 64 | 47.7 Ų | 47.7 | 28% | 0.278 | 23% | 0.227 | S | C | . | . | trans | -78 | 142.3 | 169.2 | -62.8 | -67.1 | 173.4 | 175.4 | 0 | 110.5 | Y128 F129 R130 Y134 T136 V153 | Y128-K132 WeakPolarHBondContact O-CE 3.18Å; F129-K132 WeakPolarHBondContact O-CG 3.2Å; R130-K132 PolarHBondContact O-N 3.07Å; K132-Y134 HydrophobicContact CB-CD2 4.26Å; K132-Y134 HydrophobicContact CB-CE2 4.14Å; K132-Y134 WeakPolarHBondContact CB-O 3.26Å; K132-Y134 HydrophobicContact CD-CE2 4.42Å; K132-Y134 HydrophobicContact CG-CE2 4.44Å; K132-Y134 PolarHBondContact O-N 2.97Å; K132-T136 HydrophobicContact CB-CG2 4.12Å; K132-T136 HydrophobicContact CG-CG2 3.83Å; K132-V153 HydrophobicContact CD-CG1 4.44Å; K132-V153 HydrophobicContact CG-CG1 4.49Å | ||
| 133 | D | 77.5 | Confident | 87.6 | Confident | 132 Ų | 132 | 45 Ų | 45 | 71% | 0.706 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -70 | -10.3 | 179.1 | -63.2 | -43.3 | 0 | 0 | 0 | 112.2 | ||
| 134 | Y | 80.9 | Confident | 88.1 | Confident | 70 Ų | 70 | 42.1 Ų | 42.1 | 28% | 0.275 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -131.3 | 160.6 | 179.9 | 44.9 | -103.9 | 0 | 0 | 0 | 111.7 | K132 T136 V153 K154 N155 | K132-Y134 HydrophobicContact CB-CD2 4.26Å; K132-Y134 HydrophobicContact CB-CE2 4.14Å; K132-Y134 WeakPolarHBondContact CB-O 3.26Å; K132-Y134 HydrophobicContact CD-CE2 4.42Å; K132-Y134 HydrophobicContact CG-CE2 4.44Å; K132-Y134 PolarHBondContact O-N 2.97Å; Y134-T136 PolarHBondContact O-N 2.69Å; Y134-V153 VanDerWaalsContact CE2-O 3.23Å; Y134-V153 WeakPolarHBondContact CE2-O 3.19Å; Y134-V153 PolarHBondContact OH-O 3.48Å; Y134-K154 WeakPolarHBondContact OH-CA 3.15Å; Y134-K154 PolarHBondContact OH-O 3.07Å; Y134-N155 HydrophobicContact CD1-CB 4.38Å; Y134-N155 HydrophobicContact CD2-CB 3.29Å; Y134-N155 HydrophobicContact CE1-CB 4.5Å; Y134-N155 HydrophobicContact CE2-CB 3.45Å; Y134-N155 VanDerWaalsContact CE2-CB 3.45Å; Y134-N155 HydrophobicContact CG-CB 3.8Å |
| 135 | P | 82 | Confident | 88.3 | Confident | 47 Ų | 47 | 42.4 Ų | 42.4 | 31% | 0.305 | 21% | 0.206 | S | C | . | . | trans | -60.3 | 130.8 | 172.8 | -21.1 | 33.8 | 0 | 0 | 0 | 111.4 | I192 | P135-I192 HydrophobicContact CB-CD1 3.49Å; P135-I192 VanDerWaalsContact CB-CD1 3.49Å; P135-I192 HydrophobicContact CG-CD1 3.68Å | ||
| 136 | T | 90.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 153.2 | 172 | 50.6 | 0 | 0 | 0 | 0 | 110.4 | A36 F37 F129 K132 Y134 V153 | A36-T136 WeakPolarHBondContact CA-O 3.44Å; F37-T136 WeakPolarHBondContact CE2-OG1 3.31Å; F37-T136 WeakPolarHBondContact CZ-OG1 3.29Å; F37-T136 PolarHBondContact N-O 3.19Å; F37-T136 PolarHBondContact O-N 2.73Å; F37-T136 VanDerWaalsContact O-O 3.14Å; F37-T136 PolarHBondContact O-OG1 2.86Å; F129-T136 HydrophobicContact CB-CG2 3.96Å; K132-T136 HydrophobicContact CB-CG2 4.12Å; K132-T136 HydrophobicContact CG-CG2 3.83Å; Y134-T136 PolarHBondContact O-N 2.69Å; T136-V153 HydrophobicContact CG2-CG1 4.3Å |
| 137 | R | 93.5 | Very high | 88.7 | Confident | 85 Ų | 85 | 41.9 Ų | 41.9 | 32% | 0.321 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 146.6 | 179.2 | -52.4 | -174.4 | -170 | 178.8 | 11.1 | 112.3 | E34 V35 A36 T151 D152 W159 | E34-R137 IonicContact OE1-NH1 2.81Å; E34-R137 PolarHBondContact OE1-NH1 2.84Å; V35-R137 CarbonylContact O-C 3.2Å; V35-R137 VanDerWaalsContact O-CA 3.28Å; V35-R137 WeakPolarHBondContact O-CA 3.18Å; A36-R137 HydrophobicContact CB-CG 4.2Å; R137-T151 CarbonylContact O-C 3.59Å; R137-T151 WeakPolarHBondContact O-CA 3.47Å; R137-D152 HydrophobicContact CB-CB 4.41Å; R137-D152 PolarHBondContact N-O 3.26Å; R137-D152 VanDerWaalsContact N-O 3.14Å; R137-D152 PolarHBondContact O-N 2.62Å; R137-W159 HydrophobicContact CB-CH2 3.69Å; R137-W159 HydrophobicContact CB-CZ3 3.9Å |
| 138 | I | 96.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 140.3 | 171.1 | -172.1 | 169.3 | 0 | 0 | 0 | 109.3 | E34 V35 F37 I53 L79 V96 V149 Y150 T151 | E34-I138 WeakPolarHBondContact CA-O 3.38Å; V35-I138 HydrophobicContact CB-CG2 3.79Å; V35-I138 HydrophobicContact CG2-CG2 4.46Å; V35-I138 PolarHBondContact N-O 2.93Å; V35-I138 PolarHBondContact O-N 2.8Å; F37-I138 HydrophobicContact CD1-CG2 4.13Å; F37-I138 HydrophobicContact CE1-CB 4.04Å; F37-I138 HydrophobicContact CE1-CG2 3.75Å; I53-I138 HydrophobicContact CD1-CD1 4.46Å; I53-I138 HydrophobicContact CD1-CG2 3.84Å; L79-I138 HydrophobicContact CD1-CD1 4.2Å; L79-I138 HydrophobicContact CD2-CD1 4.17Å; L79-I138 HydrophobicContact CG-CD1 4.4Å; V96-I138 HydrophobicContact CG1-CD1 4.18Å; I138-V149 HydrophobicContact CD1-CG1 3.81Å; I138-V149 HydrophobicContact CG1-CG1 3.93Å; I138-Y150 CarbonylContact C-O 3.46Å; I138-Y150 WeakPolarHBondContact CA-O 3.29Å; I138-Y150 WeakPolarHBondContact CG1-O 3.35Å; I138-T151 HydrophobicContact CB-CG2 4.48Å; I138-T151 HydrophobicContact CD1-CG2 4.32Å; I138-T151 HydrophobicContact CG1-CG2 4.1Å |
| 139 | L | 96.4 | Very high | 89.6 | Confident | 9 Ų | 9 | 35.5 Ų | 35.5 | 5% | 0.047 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 118.1 | 176.5 | 176.1 | 68.8 | 0 | 0 | 0 | 108.9 | E32 L33 E34 V149 Y150 W159 | E32-L139 HydrophobicContact CB-CD1 4.17Å; L33-L139 CarbonylContact O-C 3.57Å; L33-L139 WeakPolarHBondContact O-CA 3.28Å; E34-L139 HydrophobicContact CB-CD1 4.29Å; L139-V149 WeakPolarHBondContact O-CA 3.21Å; L139-Y150 HydrophobicContact CD2-CD2 4.13Å; L139-Y150 HydrophobicContact CG-CD2 4.42Å; L139-Y150 PolarHBondContact N-O 3.04Å; L139-Y150 PolarHBondContact O-N 3.03Å; L139-W159 HydrophobicContact CB-CD2 4.19Å; L139-W159 HydrophobicContact CB-CE3 3.85Å; L139-W159 HydrophobicContact CB-CH2 3.82Å; L139-W159 HydrophobicContact CB-CZ2 4.15Å; L139-W159 HydrophobicContact CB-CZ3 3.66Å; L139-W159 HydrophobicContact CD2-CD2 4.27Å |
| 140 | V | 96.8 | Very high | 90 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 115.6 | 173.4 | -174.6 | 0 | 0 | 0 | 0 | 108.1 | W31 E32 L33 V77 L147 V149 | W31-V140 HydrophobicContact CH2-CG1 4.06Å; W31-V140 HydrophobicContact CZ3-CB 4.28Å; W31-V140 HydrophobicContact CZ3-CG1 3.92Å; E32-V140 CarbonylContact C-O 3.58Å; E32-V140 WeakPolarHBondContact CA-O 3.49Å; L33-V140 HydrophobicContact CB-CB 4.43Å; L33-V140 PolarHBondContact N-O 2.64Å; L33-V140 PolarHBondContact O-N 2.96Å; V77-V140 HydrophobicContact CG2-CG2 4.44Å; V140-L147 HydrophobicContact CG1-CD1 3.74Å; V140-V149 HydrophobicContact CG1-CG2 4.45Å; V140-V149 HydrophobicContact CG2-CG2 4.47Å |
| 141 | R | 96.3 | Very high | 90.4 | Very high | 88 Ų | 88 | 37 Ų | 37 | 33% | 0.332 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 122.8 | -176.3 | 175.1 | 178.7 | -69.9 | -167.2 | -14.3 | 109.8 | E32 V143 L147 S148 | E32-R141 VanDerWaalsContact CD-CZ 3.47Å; E32-R141 HydrophobicContact CG-CB 3.87Å; E32-R141 HydrophobicContact CG-CG 3.67Å; E32-R141 IonicContact OE1-CZ 3.96Å; E32-R141 IonicContact OE1-NE 3.68Å; E32-R141 PolarHBondContact OE1-NE 2.9Å; E32-R141 IonicContact OE1-NH2 3.66Å; E32-R141 PolarHBondContact OE1-NH2 3.28Å; E32-R141 IonicContact OE2-CZ 2.7Å; E32-R141 IonicContact OE2-NE 3.54Å; E32-R141 PolarHBondContact OE2-NE 3.06Å; E32-R141 IonicContact OE2-NH2 2.65Å; E32-R141 PolarHBondContact OE2-NH2 3.21Å; R141-V143 HydrophobicContact CG-CG2 3.78Å; R141-L147 CarbonylContact O-C 3.53Å; R141-L147 WeakPolarHBondContact O-CA 3.21Å; R141-S148 PolarHBondContact N-O 3.03Å; R141-S148 PolarHBondContact O-N 2.79Å |
| 142 | Y | 95 | Very high | 90.7 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 101.2 | 174.3 | 178.9 | -113 | 0 | 0 | 0 | 109.7 | R29 D30 W31 I146 L147 V168 L170 | R29-Y142 WeakPolarHBondContact O-CD1 3.46Å; R29-Y142 VanDerWaalsContact O-CE1 3.24Å; R29-Y142 WeakPolarHBondContact O-CE1 3.24Å; D30-Y142 CarbonylContact C-O 3.57Å; D30-Y142 WeakPolarHBondContact CA-O 3.44Å; W31-Y142 HydrophobicContact CZ2-CD1 4.47Å; W31-Y142 HydrophobicContact CZ2-CG 4.42Å; W31-Y142 PolarHBondContact N-O 3.48Å; W31-Y142 AromaticContact NE1-CD1 3.82Å; W31-Y142 PolarHBondContact O-N 3.07Å; Y142-I146 WeakPolarHBondContact CA-O 3.49Å; Y142-L147 HydrophobicContact CD2-CB 4.45Å; Y142-V168 HydrophobicContact CE2-CB 4.26Å; Y142-V168 HydrophobicContact CE2-CG1 4.36Å; Y142-V168 VanDerWaalsContact CE2-O 3.28Å; Y142-V168 WeakPolarHBondContact CE2-O 3.37Å; Y142-V168 PolarHBondContact OH-O 3.36Å; Y142-L170 HydrophobicContact CD1-CD1 4.14Å; Y142-L170 HydrophobicContact CD2-CD1 3.92Å; Y142-L170 HydrophobicContact CD2-CG 4.49Å; Y142-L170 HydrophobicContact CE1-CB 3.98Å; Y142-L170 HydrophobicContact CE1-CD1 4.18Å; Y142-L170 HydrophobicContact CE1-CG 4.34Å; Y142-L170 HydrophobicContact CE2-CB 4.48Å; Y142-L170 HydrophobicContact CE2-CD1 3.98Å; Y142-L170 HydrophobicContact CE2-CG 4.05Å; Y142-L170 HydrophobicContact CG-CD1 3.99Å; Y142-L170 PolarHBondContact OH-N 2.81Å; Y142-L170 VanDerWaalsContact OH-N 3.07Å |
| 143 | V | 89.8 | Confident | 90.8 | Very high | 27 Ų | 27 | 31.3 Ų | 31.3 | 16% | 0.164 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 129.6 | -175.8 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | D30 R141 E145 I146 I199 Y201 | D30-V143 VanDerWaalsContact OD1-CA 3.25Å; D30-V143 WeakPolarHBondContact OD1-CA 3.44Å; R141-V143 HydrophobicContact CG-CG2 3.78Å; V143-E145 VanDerWaalsContact C-N 3.3Å; V143-E145 PolarHBondContact O-N 2.94Å; V143-I146 PolarHBondContact N-O 2.82Å; V143-I146 WeakPolarHBondContact O-CB 3.31Å; V143-I146 PolarHBondContact O-N 3.01Å; V143-I199 HydrophobicContact CG1-CG2 4.17Å; V143-I199 HydrophobicContact CG2-CB 3.94Å; V143-I199 HydrophobicContact CG2-CG1 4.06Å; V143-I199 HydrophobicContact CG2-CG2 3.8Å; V143-Y201 HydrophobicContact CG1-CD2 3.64Å; V143-Y201 HydrophobicContact CG1-CE2 4.37Å; V143-Y201 HydrophobicContact CG1-CG 3.73Å |
| 144 | G | 85.4 | Confident | 90.9 | Very high | 17 Ų | 17 | 30.1 Ų | 30.1 | 18% | 0.175 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 35.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D30 I146 Y201 | D30-G144 PolarHBondContact OD1-N 3.49Å; G144-I146 PolarHBondContact O-N 2.86Å; G144-Y201 VanDerWaalsContact CA-CE1 3.42Å |
| 145 | E | 86.6 | Confident | 90.9 | Very high | 20 Ų | 20 | 30.1 Ų | 30.1 | 9% | 0.093 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 22.1 | -175.1 | -52.9 | 175.2 | -178.8 | 0 | 0 | 113.1 | R29 V143 P166 N167 V168 R203 R206 | R29-E145 IonicContact NH2-OE1 2.72Å; R29-E145 PolarHBondContact NH2-OE1 3.37Å; V143-E145 VanDerWaalsContact C-N 3.3Å; V143-E145 PolarHBondContact O-N 2.94Å; E145-P166 CarbonylContact O-C 3.55Å; E145-N167 WeakPolarHBondContact O-CA 3.28Å; E145-N167 PolarHBondContact O-N 3.4Å; E145-V168 WeakPolarHBondContact CA-O 3.37Å; E145-V168 WeakPolarHBondContact CB-O 3.49Å; E145-V168 PolarHBondContact O-N 2.77Å; E145-R203 IonicContact OE1-NH1 2.69Å; E145-R203 PolarHBondContact OE1-NH1 2.96Å; E145-R206 IonicContact OE2-NH2 3.67Å |
| 146 | I | 88.4 | Confident | 90.5 | Very high | 66 Ų | 66 | 33.8 Ų | 33.8 | 34% | 0.338 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 118.6 | 176.2 | -54.3 | 173.6 | 0 | 0 | 0 | 108.9 | Y142 V143 G144 T164 P166 | Y142-I146 WeakPolarHBondContact CA-O 3.49Å; V143-I146 PolarHBondContact N-O 2.82Å; V143-I146 WeakPolarHBondContact O-CB 3.31Å; V143-I146 PolarHBondContact O-N 3.01Å; G144-I146 PolarHBondContact O-N 2.86Å; I146-T164 HydrophobicContact CG2-CG2 3.42Å; I146-T164 VanDerWaalsContact CG2-CG2 3.42Å; I146-P166 HydrophobicContact CG1-CB 4.11Å |
| 147 | L | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 128 | 171.6 | -174.7 | 71.2 | 0 | 0 | 0 | 109.7 | L75 L118 V140 R141 Y142 T164 V165 V168 | L75-L147 HydrophobicContact CD1-CD2 3.76Å; L75-L147 HydrophobicContact CD2-CD1 3.82Å; L75-L147 HydrophobicContact CD2-CD2 3.94Å; L118-L147 HydrophobicContact CD2-CD2 3.49Å; L118-L147 VanDerWaalsContact CD2-CD2 3.49Å; V140-L147 HydrophobicContact CG1-CD1 3.74Å; R141-L147 CarbonylContact O-C 3.53Å; R141-L147 WeakPolarHBondContact O-CA 3.21Å; Y142-L147 HydrophobicContact CD2-CB 4.45Å; L147-T164 CarbonylContact O-C 3.59Å; L147-T164 VanDerWaalsContact O-CA 3.27Å; L147-T164 WeakPolarHBondContact O-CA 3.34Å; L147-V165 PolarHBondContact N-O 2.86Å; L147-V165 PolarHBondContact O-N 2.94Å; L147-V168 HydrophobicContact CB-CB 4.4Å; L147-V168 HydrophobicContact CB-CG2 4.11Å |
| 148 | S | 94 | Very high | 88.8 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 6% | 0.063 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 137.2 | 174.3 | -57.9 | 0 | 0 | 0 | 0 | 110.8 | R141 F163 T164 | R141-S148 PolarHBondContact N-O 3.03Å; R141-S148 PolarHBondContact O-N 2.79Å; S148-F163 CarbonylContact C-O 3.49Å; S148-F163 WeakPolarHBondContact CA-O 3.38Å; S148-T164 WeakPolarHBondContact CB-OG1 3.31Å; S148-T164 WeakPolarHBondContact OG-CG2 3.49Å; S148-T164 PolarHBondContact OG-OG1 2.78Å |
| 149 | V | 95.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 135.9 | 178.9 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | V96 I138 L139 V140 C162 F163 | V96-V149 HydrophobicContact CG1-CG1 4.28Å; I138-V149 HydrophobicContact CD1-CG1 3.81Å; I138-V149 HydrophobicContact CG1-CG1 3.93Å; L139-V149 WeakPolarHBondContact O-CA 3.21Å; V140-V149 HydrophobicContact CG1-CG2 4.45Å; V140-V149 HydrophobicContact CG2-CG2 4.47Å; V149-C162 HydrophobicContact CB-CB 4.35Å; V149-C162 HydrophobicContact CG1-CB 4.25Å; V149-C162 WeakPolarHBondContact O-CA 3.45Å; V149-C162 VanDerWaalsContact O-CB 3.24Å; V149-C162 WeakPolarHBondContact O-CB 3.46Å; V149-C162 PolarHBondContact O-N 3.3Å; V149-F163 HydrophobicContact CB-CD1 4.3Å; V149-F163 HydrophobicContact CB-CE1 3.95Å; V149-F163 HydrophobicContact CB-CE2 4.34Å; V149-F163 HydrophobicContact CB-CZ 3.97Å; V149-F163 HydrophobicContact CG1-CE1 4.4Å; V149-F163 HydrophobicContact CG2-CD2 4.49Å; V149-F163 HydrophobicContact CG2-CE1 3.99Å; V149-F163 HydrophobicContact CG2-CE2 3.78Å; V149-F163 HydrophobicContact CG2-CZ 3.49Å; V149-F163 VanDerWaalsContact CG2-CZ 3.49Å; V149-F163 PolarHBondContact N-O 3.06Å; V149-F163 PolarHBondContact O-N 2.88Å |
| 150 | Y | 96.3 | Very high | 87.8 | Confident | 49 Ų | 49 | 44.3 Ų | 44.3 | 19% | 0.192 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 152.2 | 177.7 | -52.1 | -101 | 0 | 0 | 0 | 110.2 | I138 L139 W159 D160 H161 | I138-Y150 CarbonylContact C-O 3.46Å; I138-Y150 WeakPolarHBondContact CA-O 3.29Å; I138-Y150 WeakPolarHBondContact CG1-O 3.35Å; L139-Y150 HydrophobicContact CD2-CD2 4.13Å; L139-Y150 HydrophobicContact CG-CD2 4.42Å; L139-Y150 PolarHBondContact N-O 3.04Å; L139-Y150 PolarHBondContact O-N 3.03Å; Y150-W159 HydrophobicContact CD1-CB 4.33Å; Y150-W159 HydrophobicContact CG-CB 4.4Å; Y150-D160 CarbonylContact C-O 3.5Å; Y150-D160 WeakPolarHBondContact CA-O 3.42Å; Y150-D160 WeakPolarHBondContact CB-O 3.34Å; Y150-H161 HydrophobicContact CD1-CB 4.06Å; Y150-H161 HydrophobicContact CE1-CB 4.08Å; Y150-H161 AromaticContact CE1-CD2 3.61Å |
| 151 | T | 93.4 | Very high | 87.6 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 143.7 | 178.3 | 57.9 | 0 | 0 | 0 | 0 | 111.3 | S127 R137 I138 D160 | S127-T151 PolarHBondContact OG-OG1 3.2Å; R137-T151 CarbonylContact O-C 3.59Å; R137-T151 WeakPolarHBondContact O-CA 3.47Å; I138-T151 HydrophobicContact CB-CG2 4.48Å; I138-T151 HydrophobicContact CD1-CG2 4.32Å; I138-T151 HydrophobicContact CG1-CG2 4.1Å; T151-D160 PolarHBondContact N-O 2.52Å; T151-D160 WeakPolarHBondContact O-CB 3.42Å; T151-D160 PolarHBondContact O-N 2.72Å |
| 152 | D | 91.4 | Very high | 87.3 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.027 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 87.5 | 165.8 | -179.2 | 8.6 | 0 | 0 | 0 | 108.3 | R137 K154 N155 E156 G157 W159 | R137-D152 HydrophobicContact CB-CB 4.41Å; R137-D152 PolarHBondContact N-O 3.26Å; R137-D152 VanDerWaalsContact N-O 3.14Å; R137-D152 PolarHBondContact O-N 2.62Å; D152-K154 PolarHBondContact OD1-N 3.5Å; D152-N155 VanDerWaalsContact OD1-CA 3.31Å; D152-N155 WeakPolarHBondContact OD1-CA 3.39Å; D152-N155 PolarHBondContact OD1-N 3.32Å; D152-E156 PolarHBondContact OD1-N 3.21Å; D152-G157 VanDerWaalsContact OD2-CA 3.31Å; D152-G157 WeakPolarHBondContact OD2-CA 3.37Å; D152-G157 PolarHBondContact OD2-N 2.93Å; D152-W159 HydrophobicContact CB-CE3 4.15Å; D152-W159 HydrophobicContact CB-CZ3 4.19Å |
| 153 | V | 87 | Confident | 87.2 | Confident | 15 Ų | 15 | 46.2 Ų | 46.2 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -89.2 | -14.3 | -179.4 | 175.8 | 0 | 0 | 0 | 0 | 112.2 | S127 Y128 F129 K132 Y134 T136 | S127-V153 WeakPolarHBondContact OG-CG2 3.24Å; Y128-V153 VanDerWaalsContact O-CG1 3.28Å; Y128-V153 WeakPolarHBondContact O-CG1 3.2Å; F129-V153 HydrophobicContact CB-CG1 4.45Å; F129-V153 HydrophobicContact CB-CG2 4.12Å; K132-V153 HydrophobicContact CD-CG1 4.44Å; K132-V153 HydrophobicContact CG-CG1 4.49Å; Y134-V153 VanDerWaalsContact CE2-O 3.23Å; Y134-V153 WeakPolarHBondContact CE2-O 3.19Å; Y134-V153 PolarHBondContact OH-O 3.48Å; T136-V153 HydrophobicContact CG2-CG1 4.3Å |
| 154 | K | 80.3 | Confident | 87.2 | Confident | 108 Ų | 108 | 46.7 Ų | 46.7 | 47% | 0.47 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -94.9 | -9.7 | 178.9 | -61.8 | 178.7 | -167.7 | 147 | 0 | 112.6 | Y134 D152 E156 D160 | Y134-K154 WeakPolarHBondContact OH-CA 3.15Å; Y134-K154 PolarHBondContact OH-O 3.07Å; D152-K154 PolarHBondContact OD1-N 3.5Å; K154-E156 HydrophobicContact CB-CB 4.5Å; K154-E156 HydrophobicContact CB-CG 3.78Å; K154-E156 WeakPolarHBondContact CD-OE1 3.21Å; K154-E156 PolarHBondContact O-N 3.18Å; K154-D160 IonicContact NZ-OD2 3.57Å |
| 155 | N | 80.2 | Confident | 87.3 | Confident | 70 Ų | 70 | 45.9 Ų | 45.9 | 37% | 0.374 | 24% | 0.238 | S | C | . | . | trans | 55.6 | 38.3 | -174.2 | -172 | 49.5 | 0 | 0 | 0 | 111.8 | Y134 D152 | Y134-N155 HydrophobicContact CD1-CB 4.38Å; Y134-N155 HydrophobicContact CD2-CB 3.29Å; Y134-N155 HydrophobicContact CE1-CB 4.5Å; Y134-N155 HydrophobicContact CE2-CB 3.45Å; Y134-N155 VanDerWaalsContact CE2-CB 3.45Å; Y134-N155 HydrophobicContact CG-CB 3.8Å; D152-N155 VanDerWaalsContact OD1-CA 3.31Å; D152-N155 WeakPolarHBondContact OD1-CA 3.39Å; D152-N155 PolarHBondContact OD1-N 3.32Å | ||
| 156 | E | 74.8 | Confident | 87.3 | Confident | 123 Ų | 123 | 47.4 Ų | 47.4 | 58% | 0.575 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -89.4 | -6.9 | 177.6 | -70.7 | 176.2 | -169.2 | 0 | 0 | 111.6 | D152 K154 I158 | D152-E156 PolarHBondContact OD1-N 3.21Å; K154-E156 HydrophobicContact CB-CB 4.5Å; K154-E156 HydrophobicContact CB-CG 3.78Å; K154-E156 WeakPolarHBondContact CD-OE1 3.21Å; K154-E156 PolarHBondContact O-N 3.18Å; E156-I158 HydrophobicContact CB-CG1 4.47Å; E156-I158 PolarHBondContact O-N 3.47Å |
| 157 | G | 76.3 | Confident | 87.1 | Confident | 58 Ų | 58 | 47.8 Ų | 47.8 | 60% | 0.598 | 25% | 0.252 | S | S | * | . | S | Bend | trans | 74.6 | 13.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D152 | D152-G157 VanDerWaalsContact OD2-CA 3.31Å; D152-G157 WeakPolarHBondContact OD2-CA 3.37Å; D152-G157 PolarHBondContact OD2-N 2.93Å |
| 158 | I | 70.4 | Confident | 86.8 | Confident | 100 Ų | 100 | 47.8 Ų | 47.8 | 51% | 0.513 | 25% | 0.252 | S | S | . | . | trans | -111.5 | 123.5 | 179.7 | -58.5 | 174 | 0 | 0 | 0 | 108.1 | E156 D160 | E156-I158 HydrophobicContact CB-CG1 4.47Å; E156-I158 PolarHBondContact O-N 3.47Å; I158-D160 PolarHBondContact O-N 2.94Å | ||
| 159 | W | 86.8 | Confident | 86.5 | Confident | 88 Ų | 88 | 49.3 Ų | 49.3 | 33% | 0.333 | 26% | 0.259 | S | S | . | . | trans | -79.8 | 109.8 | 179.5 | -66.8 | 110.8 | 0 | 0 | 0 | 111 | E34 R137 L139 Y150 D152 | E34-W159 HydrophobicContact CG-CH2 3.97Å; E34-W159 HydrophobicContact CG-CZ2 4.13Å; R137-W159 HydrophobicContact CB-CH2 3.69Å; R137-W159 HydrophobicContact CB-CZ3 3.9Å; L139-W159 HydrophobicContact CB-CD2 4.19Å; L139-W159 HydrophobicContact CB-CE3 3.85Å; L139-W159 HydrophobicContact CB-CH2 3.82Å; L139-W159 HydrophobicContact CB-CZ2 4.15Å; L139-W159 HydrophobicContact CB-CZ3 3.66Å; L139-W159 HydrophobicContact CD2-CD2 4.27Å; Y150-W159 HydrophobicContact CD1-CB 4.33Å; Y150-W159 HydrophobicContact CG-CB 4.4Å; D152-W159 HydrophobicContact CB-CE3 4.15Å; D152-W159 HydrophobicContact CB-CZ3 4.19Å | ||
| 160 | D | 86.7 | Confident | 86.3 | Confident | 71 Ų | 71 | 49.7 Ų | 49.7 | 38% | 0.38 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 127.7 | 170.3 | -74.8 | -32.2 | 0 | 0 | 0 | 109.2 | Y150 T151 K154 I158 C162 | Y150-D160 CarbonylContact C-O 3.5Å; Y150-D160 WeakPolarHBondContact CA-O 3.42Å; Y150-D160 WeakPolarHBondContact CB-O 3.34Å; T151-D160 PolarHBondContact N-O 2.52Å; T151-D160 WeakPolarHBondContact O-CB 3.42Å; T151-D160 PolarHBondContact O-N 2.72Å; K154-D160 IonicContact NZ-OD2 3.57Å; I158-D160 PolarHBondContact O-N 2.94Å; D160-C162 PolarHBondContact O-N 3.46Å |
| 161 | H | 91.5 | Very high | 85.8 | Confident | 114 Ų | 114 | 47.4 Ų | 47.4 | 53% | 0.528 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 126.8 | 178.6 | 176.8 | -100.2 | 0 | 0 | 0 | 110.9 | Y150 T164 | Y150-H161 HydrophobicContact CD1-CB 4.06Å; Y150-H161 HydrophobicContact CE1-CB 4.08Å; Y150-H161 AromaticContact CE1-CD2 3.61Å; H161-T164 PolarHBondContact NE2-OG1 2.87Å |
| 162 | C | 90.7 | Very high | 85.4 | Confident | 14 Ų | 14 | 48.1 Ų | 48.1 | 10% | 0.095 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -65.2 | 176.9 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | C125 V149 D160 | C125-C162 HydrophobicContact CB-CB 4.01Å; C125-C162 WeakPolarHBondContact CB-SG 3.34Å; C125-C162 VanDerWaalsContact SG-CA 3.54Å; C125-C162 WeakPolarHBondContact SG-CB 3.3Å; C125-C162 CovalentContact SG-SG 2.02Å; C125-C162 PolarHBondContact SG-SG 3.22Å; V149-C162 HydrophobicContact CB-CB 4.35Å; V149-C162 HydrophobicContact CG1-CB 4.25Å; V149-C162 WeakPolarHBondContact O-CA 3.45Å; V149-C162 VanDerWaalsContact O-CB 3.24Å; V149-C162 WeakPolarHBondContact O-CB 3.46Å; V149-C162 PolarHBondContact O-N 3.3Å; D160-C162 PolarHBondContact O-N 3.46Å |
| 163 | F | 92 | Very high | 85.1 | Confident | 6 Ų | 6 | 49.4 Ų | 49.4 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 163.6 | 174 | 62.3 | -94 | 0 | 0 | 0 | 112.8 | V96 A98 S148 V149 V165 | V96-F163 HydrophobicContact CG1-CE1 4.29Å; A98-F163 HydrophobicContact CB-CE2 4.15Å; A98-F163 HydrophobicContact CB-CZ 3.77Å; S148-F163 CarbonylContact C-O 3.49Å; S148-F163 WeakPolarHBondContact CA-O 3.38Å; V149-F163 HydrophobicContact CB-CD1 4.3Å; V149-F163 HydrophobicContact CB-CE1 3.95Å; V149-F163 HydrophobicContact CB-CE2 4.34Å; V149-F163 HydrophobicContact CB-CZ 3.97Å; V149-F163 HydrophobicContact CG1-CE1 4.4Å; V149-F163 HydrophobicContact CG2-CD2 4.49Å; V149-F163 HydrophobicContact CG2-CE1 3.99Å; V149-F163 HydrophobicContact CG2-CE2 3.78Å; V149-F163 HydrophobicContact CG2-CZ 3.49Å; V149-F163 VanDerWaalsContact CG2-CZ 3.49Å; V149-F163 PolarHBondContact N-O 3.06Å; V149-F163 PolarHBondContact O-N 2.88Å; F163-V165 HydrophobicContact CD2-CG2 4.12Å |
| 164 | T | 90.5 | Very high | 85.4 | Confident | 36 Ų | 36 | 49.7 Ų | 49.7 | 22% | 0.221 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 131.7 | 174.2 | -63.6 | 0 | 0 | 0 | 0 | 110.4 | K123 I146 L147 S148 H161 | K123-T164 PolarHBondContact NZ-O 2.79Å; I146-T164 HydrophobicContact CG2-CG2 3.42Å; I146-T164 VanDerWaalsContact CG2-CG2 3.42Å; L147-T164 CarbonylContact O-C 3.59Å; L147-T164 VanDerWaalsContact O-CA 3.27Å; L147-T164 WeakPolarHBondContact O-CA 3.34Å; S148-T164 WeakPolarHBondContact CB-OG1 3.31Å; S148-T164 WeakPolarHBondContact OG-CG2 3.49Å; S148-T164 PolarHBondContact OG-OG1 2.78Å; H161-T164 PolarHBondContact NE2-OG1 2.87Å |
| 165 | V | 87.3 | Confident | 86 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 114.6 | 177.9 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | L118 K123 L147 F163 V168 | L118-V165 HydrophobicContact CD1-CG1 4.47Å; L118-V165 HydrophobicContact CG-CB 4.47Å; L118-V165 HydrophobicContact CG-CG1 4.23Å; L118-V165 HydrophobicContact CG-CG2 4.32Å; K123-V165 HydrophobicContact CB-CG2 4.38Å; K123-V165 HydrophobicContact CD-CG2 4.23Å; K123-V165 HydrophobicContact CG-CG2 4.48Å; L147-V165 PolarHBondContact N-O 2.86Å; L147-V165 PolarHBondContact O-N 2.94Å; F163-V165 HydrophobicContact CD2-CG2 4.12Å; V165-V168 HydrophobicContact CB-CG2 4.08Å; V165-V168 HydrophobicContact CG1-CG2 3.79Å |
| 166 | P | 85.6 | Confident | 86.8 | Confident | 51 Ų | 51 | 42 Ų | 42 | 33% | 0.331 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 164.8 | 173.8 | 34.3 | -34.7 | 0 | 0 | 0 | 111.8 | E145 I146 V168 | E145-P166 CarbonylContact O-C 3.55Å; I146-P166 HydrophobicContact CG1-CB 4.11Å; P166-V168 VanDerWaalsContact C-N 3.32Å; P166-V168 PolarHBondContact O-N 3.27Å |
| 167 | N | 84.4 | Confident | 87.7 | Confident | 75 Ų | 75 | 36.1 Ų | 36.1 | 40% | 0.401 | 20% | 0.198 | S | C | . | . | S | Bend | trans | 59.5 | 41.5 | 177.6 | -52.1 | -33.8 | 0 | 0 | 0 | 112.7 | E145 E219 | E145-N167 WeakPolarHBondContact O-CA 3.28Å; E145-N167 PolarHBondContact O-N 3.4Å; N167-E219 HydrophobicContact CB-CB 3.95Å; N167-E219 WeakPolarHBondContact CB-OE2 3.15Å; N167-E219 PolarHBondContact ND2-OE2 3.27Å; N167-E219 PolarHBondContact O-N 3.18Å |
| 168 | V | 88.2 | Confident | 88.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 126 | 168.2 | -178.7 | 0 | 0 | 0 | 0 | 107 | V100 L118 Y142 E145 L147 V165 P166 L170 A218 | V100-V168 HydrophobicContact CG2-CG1 3.91Å; L118-V168 HydrophobicContact CD1-CG2 4.29Å; L118-V168 HydrophobicContact CD2-CG2 4.22Å; Y142-V168 HydrophobicContact CE2-CB 4.26Å; Y142-V168 HydrophobicContact CE2-CG1 4.36Å; Y142-V168 VanDerWaalsContact CE2-O 3.28Å; Y142-V168 WeakPolarHBondContact CE2-O 3.37Å; Y142-V168 PolarHBondContact OH-O 3.36Å; E145-V168 WeakPolarHBondContact CA-O 3.37Å; E145-V168 WeakPolarHBondContact CB-O 3.49Å; E145-V168 PolarHBondContact O-N 2.77Å; L147-V168 HydrophobicContact CB-CB 4.4Å; L147-V168 HydrophobicContact CB-CG2 4.11Å; V165-V168 HydrophobicContact CB-CG2 4.08Å; V165-V168 HydrophobicContact CG1-CG2 3.79Å; P166-V168 VanDerWaalsContact C-N 3.32Å; P166-V168 PolarHBondContact O-N 3.27Å; V168-L170 HydrophobicContact CG1-CD2 4.03Å; V168-L170 HydrophobicContact CG1-CG 4.02Å; V168-A218 HydrophobicContact CG2-CB 4.35Å |
| 169 | I | 87.5 | Confident | 89.8 | Confident | 41 Ų | 41 | 29 Ų | 29 | 21% | 0.21 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 108.9 | -177.8 | -57.4 | 178.3 | 0 | 0 | 0 | 107 | V214 P216 N217 | I169-V214 HydrophobicContact CG2-CG1 3.18Å; I169-P216 WeakPolarHBondContact O-CA 3.29Å; I169-N217 WeakPolarHBondContact CA-O 3.27Å; I169-N217 HydrophobicContact CB-CB 4.48Å; I169-N217 PolarHBondContact N-O 2.87Å; I169-N217 PolarHBondContact O-N 2.9Å |
| 170 | L | 89.9 | Confident | 90.1 | Very high | 7 Ų | 7 | 24.9 Ų | 24.9 | 4% | 0.037 | 13% | 0.131 | C | C | . | . | trans | -110.1 | 134.2 | 175.2 | -58.7 | 177.4 | 0 | 0 | 0 | 110.2 | W31 Y55 L75 V100 Y142 V168 | W31-L170 HydrophobicContact CZ2-CD1 4.19Å; Y55-L170 HydrophobicContact CD1-CB 4.44Å; Y55-L170 HydrophobicContact CD1-CD1 4.21Å; Y55-L170 HydrophobicContact CE1-CB 4.12Å; L75-L170 HydrophobicContact CB-CD1 4.32Å; L75-L170 HydrophobicContact CB-CD2 3.83Å; L75-L170 HydrophobicContact CD2-CD1 3.96Å; V100-L170 HydrophobicContact CG2-CD2 4.3Å; Y142-L170 HydrophobicContact CD1-CD1 4.14Å; Y142-L170 HydrophobicContact CD2-CD1 3.92Å; Y142-L170 HydrophobicContact CD2-CG 4.49Å; Y142-L170 HydrophobicContact CE1-CB 3.98Å; Y142-L170 HydrophobicContact CE1-CD1 4.18Å; Y142-L170 HydrophobicContact CE1-CG 4.34Å; Y142-L170 HydrophobicContact CE2-CB 4.48Å; Y142-L170 HydrophobicContact CE2-CD1 3.98Å; Y142-L170 HydrophobicContact CE2-CG 4.05Å; Y142-L170 HydrophobicContact CG-CD1 3.99Å; Y142-L170 PolarHBondContact OH-N 2.81Å; Y142-L170 VanDerWaalsContact OH-N 3.07Å; V168-L170 HydrophobicContact CG1-CD2 4.03Å; V168-L170 HydrophobicContact CG1-CG 4.02Å | ||
| 171 | P | 86.1 | Confident | 90.1 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.013 | 12% | 0.119 | C | C | . | . | trans | -71.2 | 160.2 | 175.7 | -13.6 | 30.6 | 0 | 0 | 0 | 111 | Y55 Y174 V214 P216 | Y55-P171 WeakPolarHBondContact CE1-O 3.1Å; Y55-P171 PolarHBondContact OH-O 2.87Å; P171-Y174 HydrophobicContact CB-CD1 4.31Å; P171-Y174 HydrophobicContact CB-CE1 3.85Å; P171-Y174 HydrophobicContact CB-CE2 4.42Å; P171-Y174 HydrophobicContact CG-CE1 4.07Å; P171-Y174 HydrophobicContact CG-CE2 3.86Å; P171-V214 WeakPolarHBondContact CB-O 3.23Å; P171-V214 WeakPolarHBondContact CG-O 3.18Å; P171-P216 HydrophobicContact CG-CB 4.11Å; P171-P216 HydrophobicContact CG-CG 4.17Å | ||
| 172 | L | 84.6 | Confident | 89.7 | Confident | 26 Ų | 26 | 17.1 Ų | 17.1 | 14% | 0.136 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -79.9 | 170 | 164.8 | -66.1 | 177.7 | 0 | 0 | 0 | 110.6 | V28 R29 Y174 A211 N212 | V28-L172 VanDerWaalsContact C-CD2 3.45Å; V28-L172 WeakPolarHBondContact O-CD2 3.11Å; R29-L172 HydrophobicContact CB-CD2 3.97Å; R29-L172 HydrophobicContact CG-CD2 4.46Å; L172-Y174 PolarHBondContact O-N 3.4Å; L172-A211 HydrophobicContact CD1-CB 3.67Å; L172-A211 HydrophobicContact CG-CB 3.92Å; L172-A211 PolarHBondContact N-O 2.75Å; L172-N212 VanDerWaalsContact CB-OD1 3.24Å; L172-N212 WeakPolarHBondContact CB-OD1 3.24Å |
| 173 | N | 86.5 | Confident | 89.1 | Confident | 31 Ų | 31 | 17.2 Ų | 17.2 | 17% | 0.166 | 10% | 0.099 | C | C | . | . | S | Bend | trans | 70.6 | 23.9 | 174.4 | -159.2 | 44.3 | 0 | 0 | 0 | 115.1 | P25 V26 M27 | P25-N173 WeakPolarHBondContact CB-O 3.47Å; P25-N173 VanDerWaalsContact CB-OD1 3.31Å; P25-N173 WeakPolarHBondContact CB-OD1 3.45Å; P25-N173 WeakPolarHBondContact CG-OD1 3.25Å; V26-N173 PolarHBondContact O-N 3.05Å; M27-N173 HydrophobicContact CE-CB 4.5Å; M27-N173 HydrophobicContact SD-CB 3.96Å; M27-N173 PolarHBondContact SD-OD1 3.38Å |
| 174 | Y | 92.3 | Very high | 88 | Confident | 21 Ų | 21 | 22.3 Ų | 22.3 | 8% | 0.082 | 13% | 0.127 | C | C | . | . | B | Isolated β-bridge | trans | -101.5 | 163.4 | 175.3 | -77.6 | 24.3 | 0 | 0 | 0 | 110.8 | P25 V26 Y55 T56 K57 K73 P171 L172 P216 | P25-Y174 WeakPolarHBondContact CA-O 3.15Å; V26-Y174 PolarHBondContact N-O 2.8Å; Y55-Y174 HydrophobicContact CD1-CD2 4.44Å; Y55-Y174 HydrophobicContact CE1-CD2 4.37Å; Y55-Y174 HydrophobicContact CE1-CG 4.35Å; Y55-Y174 WeakPolarHBondContact CE2-O 3.4Å; T56-Y174 VanDerWaalsContact C-CD2 3.46Å; T56-Y174 CarbonylContact O-C 3.59Å; T56-Y174 WeakPolarHBondContact O-CA 3.16Å; T56-Y174 WeakPolarHBondContact O-CB 3.3Å; K57-Y174 HydrophobicContact CB-CD1 4.12Å; K57-Y174 HydrophobicContact CB-CD2 4.41Å; K57-Y174 HydrophobicContact CB-CE1 3.75Å; K57-Y174 HydrophobicContact CB-CE2 4.05Å; K57-Y174 HydrophobicContact CB-CG 4.43Å; K57-Y174 HydrophobicContact CD-CE1 4.45Å; K57-Y174 HydrophobicContact CG-CD1 4.38Å; K57-Y174 HydrophobicContact CG-CE1 3.93Å; K73-Y174 HydrophobicContact CB-CE2 4.42Å; K73-Y174 WeakPolarHBondContact O-CE2 3.4Å; P171-Y174 HydrophobicContact CB-CD1 4.31Å; P171-Y174 HydrophobicContact CB-CE1 3.85Å; P171-Y174 HydrophobicContact CB-CE2 4.42Å; P171-Y174 HydrophobicContact CG-CE1 4.07Å; P171-Y174 HydrophobicContact CG-CE2 3.86Å; L172-Y174 PolarHBondContact O-N 3.4Å; Y174-P216 HydrophobicContact CE2-CG 4.2Å |
| 175 | H | 93.9 | Very high | 87.2 | Confident | 6 Ų | 6 | 22 Ų | 22 | 3% | 0.028 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 139.7 | -172.6 | -69.2 | -97.6 | 0 | 0 | 0 | 111.9 | W21 N22 T23 Y55 T56 P59 | W21-H175 HydrophobicContact CE3-CB 4.31Å; N22-H175 PolarHBondContact O-ND1 2.77Å; N22-H175 VanDerWaalsContact O-ND1 3.09Å; N22-H175 WeakPolarHBondContact OD1-CA 3.29Å; N22-H175 VanDerWaalsContact OD1-CB 3.23Å; N22-H175 WeakPolarHBondContact OD1-CB 3.3Å; N22-H175 PolarHBondContact OD1-ND1 3.14Å; T23-H175 PolarHBondContact O-CE1 2.87Å; Y55-H175 CarbonylContact C-O 3.52Å; Y55-H175 WeakPolarHBondContact CA-O 3.49Å; T56-H175 PolarHBondContact N-O 3.34Å; T56-H175 PolarHBondContact O-N 3.28Å; P59-H175 HydrophobicContact CB-CB 3.79Å; P59-H175 HydrophobicContact CG-CB 4.18Å |
| 176 | F | 96.2 | Very high | 86.9 | Confident | 11 Ų | 11 | 22.6 Ų | 22.6 | 5% | 0.048 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 133.2 | 165.8 | -75 | -59.1 | 0 | 0 | 0 | 111.3 | N22 V26 W31 L33 W54 Y55 M196 | N22-F176 VanDerWaalsContact CG-N 3.3Å; N22-F176 PolarHBondContact N-O 2.8Å; N22-F176 PolarHBondContact ND2-N 2.76Å; N22-F176 PolarHBondContact OD1-N 3.45Å; N22-F176 PolarHBondContact OD1-O 2.79Å; V26-F176 HydrophobicContact CG1-CE2 4.47Å; V26-F176 HydrophobicContact CG2-CD2 3.46Å; V26-F176 VanDerWaalsContact CG2-CD2 3.46Å; V26-F176 HydrophobicContact CG2-CE2 3.4Å; V26-F176 VanDerWaalsContact CG2-CE2 3.4Å; V26-F176 HydrophobicContact CG2-CG 4.4Å; V26-F176 HydrophobicContact CG2-CZ 4.28Å; W31-F176 AromaticContact CD2-CZ 3.83Å; W31-F176 HydrophobicContact CD2-CZ 3.83Å; W31-F176 AromaticContact CE2-CZ 3.83Å; W31-F176 HydrophobicContact CE3-CE1 4.44Å; W31-F176 AromaticContact CE3-CZ 3.73Å; W31-F176 HydrophobicContact CE3-CZ 3.73Å; W31-F176 AromaticContact CH2-CE1 3.66Å; W31-F176 HydrophobicContact CH2-CE1 3.66Å; W31-F176 AromaticContact CH2-CZ 3.7Å; W31-F176 HydrophobicContact CH2-CZ 3.7Å; W31-F176 AromaticContact CZ2-CE1 3.97Å; W31-F176 HydrophobicContact CZ2-CE1 3.97Å; W31-F176 AromaticContact CZ2-CZ 3.78Å; W31-F176 HydrophobicContact CZ2-CZ 3.78Å; W31-F176 AromaticContact CZ3-CE1 3.92Å; W31-F176 HydrophobicContact CZ3-CE1 3.92Å; W31-F176 AromaticContact CZ3-CZ 3.66Å; W31-F176 HydrophobicContact CZ3-CZ 3.66Å; L33-F176 HydrophobicContact CB-CZ 4.41Å; L33-F176 HydrophobicContact CD1-CD2 4.17Å; L33-F176 HydrophobicContact CD1-CE2 4.12Å; L33-F176 HydrophobicContact CD1-CG 4.43Å; L33-F176 HydrophobicContact CD1-CZ 4.37Å; L33-F176 HydrophobicContact CD2-CD1 3.78Å; L33-F176 HydrophobicContact CD2-CE1 3.79Å; L33-F176 HydrophobicContact CD2-CG 4.31Å; L33-F176 HydrophobicContact CD2-CZ 4.28Å; W54-F176 CarbonylContact O-C 3.56Å; W54-F176 WeakPolarHBondContact O-CA 3.43Å; W54-F176 WeakPolarHBondContact O-CD1 3.25Å; Y55-F176 AromaticContact CD2-CD1 3.8Å; Y55-F176 HydrophobicContact CD2-CD1 3.8Å; Y55-F176 AromaticContact CD2-CE1 3.56Å; Y55-F176 HydrophobicContact CD2-CE1 3.56Å; Y55-F176 HydrophobicContact CD2-CE2 4.42Å; Y55-F176 HydrophobicContact CD2-CG 4.3Å; Y55-F176 AromaticContact CD2-CZ 3.9Å; Y55-F176 HydrophobicContact CD2-CZ 3.9Å; Y55-F176 HydrophobicContact CE2-CE1 4.42Å; Y55-F176 HydrophobicContact CE2-CZ 4.33Å; Y55-F176 HydrophobicContact CG-CD1 4.43Å; Y55-F176 HydrophobicContact CG-CE1 4.08Å; F176-M196 HydrophobicContact CE2-CG 4.04Å |
| 177 | G | 94.6 | Very high | 87 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 159.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L20 I53 W54 | L20-G177 CarbonylContact O-C 3.42Å; L20-G177 WeakPolarHBondContact O-CA 3.44Å; I53-G177 CarbonylContact C-O 3.59Å; I53-G177 WeakPolarHBondContact CA-O 3.43Å; W54-G177 PolarHBondContact N-O 2.97Å; W54-G177 PolarHBondContact O-N 2.85Å |
| 178 | F | 96 | Very high | 87.2 | Confident | 9 Ų | 9 | 17.9 Ų | 17.9 | 4% | 0.039 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 125 | 173.3 | -52 | -82.5 | 0 | 0 | 0 | 106.9 | L9 Q19 L20 L33 V35 A52 I53 I191 V194 | L9-F178 HydrophobicContact CD1-CB 4.1Å; Q19-F178 CarbonylContact C-O 3.59Å; Q19-F178 WeakPolarHBondContact CA-O 3.43Å; L20-F178 HydrophobicContact CB-CB 4.35Å; L20-F178 HydrophobicContact CB-CD2 4.4Å; L20-F178 HydrophobicContact CD2-CD2 4.14Å; L20-F178 HydrophobicContact CG-CD2 4.29Å; L20-F178 PolarHBondContact N-O 3.34Å; L20-F178 PolarHBondContact O-N 2.86Å; L33-F178 HydrophobicContact CD2-CZ 4.43Å; V35-F178 HydrophobicContact CG1-CD1 4.46Å; V35-F178 HydrophobicContact CG1-CE1 4Å; V35-F178 HydrophobicContact CG2-CE1 3.67Å; V35-F178 HydrophobicContact CG2-CZ 4.09Å; A52-F178 WeakPolarHBondContact O-CA 3.28Å; I53-F178 HydrophobicContact CB-CD1 4.48Å; I53-F178 HydrophobicContact CB-CE1 4.49Å; I53-F178 HydrophobicContact CG1-CD1 4.05Å; I53-F178 HydrophobicContact CG1-CE1 4.18Å; I53-F178 HydrophobicContact CG2-CD1 4.21Å; I53-F178 HydrophobicContact CG2-CE1 3.81Å; F178-I191 HydrophobicContact CB-CD1 4.32Å; F178-I191 HydrophobicContact CB-CG1 4.34Å; F178-I191 HydrophobicContact CD1-CD1 4.26Å; F178-I191 HydrophobicContact CG-CD1 4.36Å; F178-V194 HydrophobicContact CE1-CG2 4.27Å; F178-V194 HydrophobicContact CE2-CG1 4.13Å; F178-V194 HydrophobicContact CE2-CG2 3.74Å; F178-V194 HydrophobicContact CZ-CB 4.3Å; F178-V194 HydrophobicContact CZ-CG1 3.67Å; F178-V194 HydrophobicContact CZ-CG2 3.59Å |
| 179 | S | 94.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 153.2 | 176 | 72.8 | 0 | 0 | 0 | 0 | 111.1 | G18 I51 A52 W54 F66 | G18-S179 VanDerWaalsContact O-CA 3.31Å; G18-S179 WeakPolarHBondContact O-CA 3.17Å; I51-S179 WeakPolarHBondContact CA-O 3.4Å; A52-S179 PolarHBondContact N-O 2.88Å; A52-S179 PolarHBondContact O-N 3.48Å; W54-S179 PolarHBondContact NE1-OG 3.09Å; F66-S179 CarbonylContact O-C 3.52Å; F66-S179 VanDerWaalsContact O-C 3.27Å; F66-S179 WeakPolarHBondContact O-CB 3.43Å; F66-S179 PolarHBondContact O-OG 3.45Å |
| 180 | A | 92.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 147.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | L9 T10 Q17 G18 G50 I51 F66 H189 | L9-A180 HydrophobicContact CB-CB 4Å; L9-A180 HydrophobicContact CD1-CB 4.21Å; T10-A180 HydrophobicContact CG2-CB 4.1Å; T10-A180 VanDerWaalsContact CG2-O 3.29Å; T10-A180 WeakPolarHBondContact CG2-O 3.25Å; Q17-A180 WeakPolarHBondContact CA-O 3.45Å; G18-A180 PolarHBondContact N-O 3.24Å; G18-A180 PolarHBondContact O-N 3.18Å; G50-A180 WeakPolarHBondContact O-CB 3.19Å; I51-A180 HydrophobicContact CG1-CB 4.34Å; F66-A180 CarbonylContact O-C 3.57Å; F66-A180 WeakPolarHBondContact O-CA 3.33Å; F66-A180 PolarHBondContact O-N 3.09Å; F66-A180 VanDerWaalsContact O-N 3.13Å; A180-H189 HydrophobicContact CB-CB 3.73Å |
| 181 | A | 87.6 | Confident | 88 | Confident | 16 Ų | 16 | 16 Ų | 16 | 13% | 0.132 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 154.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | R16 Q17 | R16-A181 CarbonylContact O-C 3.58Å; R16-A181 VanDerWaalsContact O-CA 3.25Å; R16-A181 WeakPolarHBondContact O-CA 3.43Å; Q17-A181 HydrophobicContact CB-CB 4.4Å |
| 182 | T | 82.9 | Confident | 88.3 | Confident | 6 Ų | 6 | 18.9 Ų | 18.9 | 4% | 0.037 | 11% | 0.105 | C | C | . | . | trans | -123.2 | 124.4 | 172.8 | 55.8 | 0 | 0 | 0 | 0 | 108.6 | D13 S15 R16 | D13-T182 WeakPolarHBondContact O-CB 3.47Å; D13-T182 PolarHBondContact O-OG1 2.93Å; S15-T182 WeakPolarHBondContact CA-O 3.23Å; S15-T182 PolarHBondContact N-O 3.1Å; S15-T182 PolarHBondContact N-OG1 3.28Å; R16-T182 PolarHBondContact N-OG1 3.2Å; R16-T182 PolarHBondContact O-N 2.96Å; R16-T182 PolarHBondContact O-OG1 3.06Å | ||
| 183 | G | 77.2 | Confident | 88.5 | Confident | 16 Ų | 16 | 19.2 Ų | 19.2 | 17% | 0.165 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -79 | -126.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | P14 S15 D49 L185 | P14-G183 WeakPolarHBondContact CA-O 3.37Å; P14-G183 WeakPolarHBondContact CB-O 3.22Å; S15-G183 PolarHBondContact N-O 2.98Å; D49-G183 PolarHBondContact OD2-N 2.85Å; G183-L185 VanDerWaalsContact C-N 3.31Å; G183-L185 PolarHBondContact N-O 3.06Å |
| 184 | D | 69.1 | Low | 88.9 | Confident | 113 Ų | 113 | 20.6 Ų | 20.6 | 60% | 0.604 | 12% | 0.124 | S | C | * | . | S | Bend | trans | -75 | -25.4 | 172.8 | -72.8 | -3.1 | 0 | 0 | 0 | 112.4 | R1096 | D184-R1096 IonicContact OD1-CZ 2.73Å; D184-R1096 VanDerWaalsContact OD1-CZ 3.24Å; D184-R1096 IonicContact OD1-NH1 3.52Å; D184-R1096 PolarHBondContact OD1-NH1 3.35Å; D184-R1096 IonicContact OD1-NH2 3.91Å; D184-R1096 PolarHBondContact OD1-NH2 3.01Å |
| 185 | L | 74.4 | Confident | 88.8 | Confident | 31 Ų | 31 | 26.6 Ų | 26.6 | 16% | 0.162 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -102.1 | 142.7 | 172.8 | -61.8 | 171.1 | 0 | 0 | 0 | 108.8 | L46 Y47 Y82 G183 | L46-L185 HydrophobicContact CB-CD1 3.88Å; L46-L185 HydrophobicContact CB-CD2 3.82Å; L46-L185 HydrophobicContact CB-CG 4.5Å; L46-L185 HydrophobicContact CD2-CD1 3.94Å; L46-L185 HydrophobicContact CG-CD1 4.49Å; Y47-L185 WeakPolarHBondContact O-CB 3.36Å; Y47-L185 VanDerWaalsContact O-CD1 3.23Å; Y47-L185 WeakPolarHBondContact O-CD1 3.36Å; Y82-L185 HydrophobicContact CD2-CD1 3.67Å; Y82-L185 HydrophobicContact CE1-CD1 4.33Å; Y82-L185 HydrophobicContact CE2-CD1 3.26Å; Y82-L185 HydrophobicContact CG-CD1 4.37Å; G183-L185 VanDerWaalsContact C-N 3.31Å; G183-L185 PolarHBondContact N-O 3.06Å |
| 186 | S | 80.7 | Confident | 88.8 | Confident | 13 Ų | 13 | 29.6 Ų | 29.6 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | trans | -129.6 | 152.5 | -174.3 | 56.6 | 0 | 0 | 0 | 0 | 111.5 | D12 D13 | D12-S186 VanDerWaalsContact C-OG 3.24Å; D12-S186 PolarHBondContact O-OG 2.99Å; D12-S186 VanDerWaalsContact OD1-C 3.23Å; D12-S186 WeakPolarHBondContact OD1-CB 3.42Å; D12-S186 PolarHBondContact OD1-OG 3.45Å; D13-S186 PolarHBondContact N-OG 3.46Å; D13-S186 VanDerWaalsContact O-CB 3.23Å; D13-S186 WeakPolarHBondContact O-CB 3.39Å | ||
| 187 | D | 88 | Confident | 88.4 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -146.8 | 150.5 | 171.5 | -84.4 | -41.7 | 0 | 0 | 0 | 107.2 | S11 V39 G41 G48 R130 H189 | S11-D187 CarbonylContact C-O 3.58Å; V39-D187 HydrophobicContact CG1-CB 3.91Å; G41-D187 WeakPolarHBondContact CA-OD1 3.45Å; G41-D187 PolarHBondContact N-OD1 3.01Å; G48-D187 PolarHBondContact N-OD2 2.96Å; R130-D187 IonicContact CZ-OD1 3.48Å; R130-D187 VanDerWaalsContact CZ-OD1 3.28Å; R130-D187 IonicContact CZ-OD2 2.83Å; R130-D187 VanDerWaalsContact NE-CG 3.31Å; R130-D187 IonicContact NE-OD1 2.78Å; R130-D187 PolarHBondContact NE-OD1 2.98Å; R130-D187 IonicContact NE-OD2 2.83Å; R130-D187 PolarHBondContact NE-OD2 3.35Å; R130-D187 IonicContact NH2-OD1 2.95Å; R130-D187 PolarHBondContact NH2-OD1 3.38Å; R130-D187 IonicContact NH2-OD2 3.22Å; D187-H189 PolarHBondContact O-CE1 3.38Å; D187-H189 PolarHBondContact O-ND1 3.22Å | ||
| 188 | N | 89.2 | Confident | 88.1 | Confident | 26 Ų | 26 | 40.5 Ų | 40.5 | 14% | 0.139 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 130.4 | 165.5 | -59.2 | -70.6 | 0 | 0 | 0 | 108.9 | R8 T10 S11 D12 V39 R40 | R8-N188 PolarHBondContact NH1-OD1 2.99Å; R8-N188 VanDerWaalsContact NH1-OD1 3.17Å; T10-N188 WeakPolarHBondContact O-CA 3.04Å; S11-N188 WeakPolarHBondContact CA-OD1 3.35Å; D12-N188 PolarHBondContact N-OD1 3.34Å; V39-N188 VanDerWaalsContact CA-O 3.31Å; V39-N188 WeakPolarHBondContact CA-O 3.44Å; R40-N188 PolarHBondContact N-O 2.97Å; R40-N188 WeakPolarHBondContact O-CA 3.27Å; R40-N188 VanDerWaalsContact O-CB 3.28Å; R40-N188 WeakPolarHBondContact O-CB 3.48Å; R40-N188 PolarHBondContact O-N 3.06Å; R40-N188 PolarHBondContact O-ND2 2.86Å |
| 189 | H | 93 | Very high | 87.5 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 104.6 | 177 | -61.2 | 95.8 | 0 | 0 | 0 | 109.7 | L9 T10 I51 A180 D187 | L9-H189 HydrophobicContact CB-CB 4.35Å; L9-H189 PolarHBondContact N-O 3.35Å; T10-H189 PolarHBondContact O-N 2.64Å; T10-H189 PolarHBondContact OG1-ND1 2.95Å; I51-H189 HydrophobicContact CD1-CB 3.84Å; I51-H189 HydrophobicContact CG1-CB 3.96Å; I51-H189 WeakPolarHBondContact CG1-CD2 3.31Å; A180-H189 HydrophobicContact CB-CB 3.73Å; D187-H189 PolarHBondContact O-CE1 3.38Å; D187-H189 PolarHBondContact O-ND1 3.22Å |
| 190 | D | 93.4 | Very high | 86.2 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125.9 | -172.3 | -63.8 | -35.6 | 0 | 0 | 0 | 111 | M6 I7 R8 F37 A38 | M6-D190 HydrophobicContact CB-CB 4.34Å; M6-D190 HydrophobicContact CG-CB 4.5Å; M6-D190 HydrophobicContact SD-CB 3.89Å; M6-D190 VanDerWaalsContact SD-CG 3.52Å; M6-D190 VanDerWaalsContact SD-OD2 3.38Å; I7-D190 CarbonylContact O-C 3.52Å; I7-D190 WeakPolarHBondContact O-CA 3.33Å; R8-D190 VanDerWaalsContact CA-OD1 3.26Å; R8-D190 WeakPolarHBondContact CA-OD1 3.32Å; R8-D190 WeakPolarHBondContact CB-OD1 3.32Å; R8-D190 WeakPolarHBondContact CG-OD1 3.13Å; R8-D190 IonicContact CZ-OD1 3.27Å; R8-D190 IonicContact CZ-OD2 3.22Å; R8-D190 IonicContact NE-OD1 3.87Å; R8-D190 PolarHBondContact NE-OD1 2.88Å; R8-D190 IonicContact NE-OD2 3.74Å; R8-D190 IonicContact NH2-OD1 2.93Å; R8-D190 IonicContact NH2-OD2 3.6Å; R8-D190 PolarHBondContact NH2-OD2 3.41Å; F37-D190 CarbonylContact C-O 3.47Å; F37-D190 WeakPolarHBondContact CA-O 3.01Å; F37-D190 WeakPolarHBondContact CB-O 3.22Å; A38-D190 HydrophobicContact CB-CB 4.47Å; A38-D190 PolarHBondContact N-O 2.92Å; A38-D190 PolarHBondContact O-N 3Å |
| 191 | I | 94.8 | Very high | 85.2 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 121.3 | 169.7 | -58.7 | -61 | 0 | 0 | 0 | 108.8 | M6 I7 L9 L20 V35 F37 F178 V194 | M6-I191 CarbonylContact C-O 3.53Å; M6-I191 WeakPolarHBondContact CA-O 3.39Å; I7-I191 PolarHBondContact N-O 3.08Å; I7-I191 PolarHBondContact O-N 3.1Å; L9-I191 HydrophobicContact CD1-CD1 4.28Å; L9-I191 HydrophobicContact CD1-CG1 3.9Å; L9-I191 HydrophobicContact CD2-CG1 4.47Å; L9-I191 HydrophobicContact CG-CG1 4.12Å; L20-I191 HydrophobicContact CD2-CB 4.44Å; L20-I191 HydrophobicContact CD2-CG2 4.24Å; V35-I191 HydrophobicContact CG1-CD1 4.32Å; F37-I191 HydrophobicContact CB-CD1 4.07Å; F178-I191 HydrophobicContact CB-CD1 4.32Å; F178-I191 HydrophobicContact CB-CG1 4.34Å; F178-I191 HydrophobicContact CD1-CD1 4.26Å; F178-I191 HydrophobicContact CG-CD1 4.36Å; I191-V194 HydrophobicContact CG2-CG2 3.76Å |
| 192 | I | 92.4 | Very high | 83.7 | Confident | 64 Ų | 64 | 65.1 Ų | 65.1 | 33% | 0.328 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -32.1 | -172.3 | -63.3 | 164 | 0 | 0 | 0 | 110.8 | M6 A36 A38 P135 | M6-I192 HydrophobicContact CB-CG1 4.14Å; A36-I192 HydrophobicContact CB-CB 4.28Å; A36-I192 PolarHBondContact O-N 2.66Å; A38-I192 HydrophobicContact CB-CD1 3.8Å; P135-I192 HydrophobicContact CB-CD1 3.49Å; P135-I192 VanDerWaalsContact CB-CD1 3.49Å; P135-I192 HydrophobicContact CG-CD1 3.68Å |
| 193 | G | 90.2 | Very high | 82.7 | Confident | 32 Ų | 32 | 67.4 Ų | 67.4 | 33% | 0.33 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.5 | 146.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V35 A36 | V35-G193 CarbonylContact C-O 3.53Å; V35-G193 WeakPolarHBondContact CA-O 3.47Å; A36-G193 PolarHBondContact N-O 2.9Å; A36-G193 PolarHBondContact O-N 3.32Å |
| 194 | V | 93.2 | Very high | 81.6 | Confident | 61 Ų | 61 | 71.3 Ų | 71.3 | 37% | 0.37 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131 | 178.4 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | L33 E34 V35 F178 I191 | L33-V194 HydrophobicContact CD1-CG1 3.71Å; E34-V194 CarbonylContact O-C 3.49Å; E34-V194 WeakPolarHBondContact O-CA 3.39Å; V35-V194 HydrophobicContact CG1-CG2 4.29Å; V35-V194 HydrophobicContact CG2-CG1 4.42Å; F178-V194 HydrophobicContact CE1-CG2 4.27Å; F178-V194 HydrophobicContact CE2-CG1 4.13Å; F178-V194 HydrophobicContact CE2-CG2 3.74Å; F178-V194 HydrophobicContact CZ-CB 4.3Å; F178-V194 HydrophobicContact CZ-CG1 3.67Å; F178-V194 HydrophobicContact CZ-CG2 3.59Å; I191-V194 HydrophobicContact CG2-CG2 3.76Å |
| 195 | R | 91.9 | Very high | 80.8 | Confident | 146 Ų | 146 | 74.7 Ų | 74.7 | 55% | 0.551 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 133.4 | 176.5 | -60.4 | 179.1 | -175.3 | 145 | -0 | 109.3 | L33 E34 Y197 | L33-R195 CarbonylContact C-O 3.51Å; L33-R195 WeakPolarHBondContact CA-O 3.3Å; E34-R195 HydrophobicContact CB-CB 4.36Å; E34-R195 PolarHBondContact N-O 3.29Å; E34-R195 PolarHBondContact O-N 3.19Å; E34-R195 IonicContact OE2-NH1 2.82Å; R195-Y197 HydrophobicContact CB-CE2 3.98Å; R195-Y197 WeakPolarHBondContact CD-OH 3.14Å |
| 196 | M | 92.6 | Very high | 79.9 | Confident | 70 Ų | 70 | 80.9 Ų | 80.9 | 35% | 0.345 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 138.7 | 176.2 | -173.9 | -79.6 | -153 | 0 | 0 | 108.9 | V26 V28 W31 E32 L33 F176 | V26-M196 HydrophobicContact CG1-CE 3.59Å; V28-M196 HydrophobicContact CB-CE 4.13Å; V28-M196 HydrophobicContact CG2-CE 4.34Å; W31-M196 HydrophobicContact CB-CE 3.55Å; W31-M196 HydrophobicContact CB-SD 4.28Å; W31-M196 HydrophobicContact CG-CE 4.14Å; E32-M196 CarbonylContact O-C 3.55Å; E32-M196 VanDerWaalsContact O-CA 3.26Å; E32-M196 WeakPolarHBondContact O-CA 3.06Å; L33-M196 HydrophobicContact CD1-CB 4.02Å; L33-M196 HydrophobicContact CD1-CG 4.4Å; F176-M196 HydrophobicContact CE2-CG 4.04Å |
| 197 | Y | 88.8 | Confident | 78.2 | Confident | 105 Ų | 105 | 89.2 Ų | 89.2 | 41% | 0.412 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 133.5 | 177.3 | -52.7 | -88 | 0 | 0 | 0 | 109.5 | W31 E32 E34 R195 | W31-Y197 CarbonylContact C-O 3.53Å; W31-Y197 VanDerWaalsContact CA-O 3.24Å; W31-Y197 WeakPolarHBondContact CA-O 3.38Å; E32-Y197 HydrophobicContact CB-CD2 4.41Å; E32-Y197 PolarHBondContact N-O 3.39Å; E32-Y197 PolarHBondContact O-N 2.88Å; E34-Y197 HydrophobicContact CB-CE2 4.39Å; E34-Y197 PolarHBondContact OE2-OH 2.85Å; R195-Y197 HydrophobicContact CB-CE2 3.98Å; R195-Y197 WeakPolarHBondContact CD-OH 3.14Å |
| 198 | E | 86.6 | Confident | 76.3 | Confident | 135 Ų | 135 | 97.5 Ų | 97.5 | 63% | 0.631 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 135.3 | 167.2 | 168.8 | 164.1 | -159.3 | 0 | 0 | 109.9 | V28 | V28-E198 HydrophobicContact CG1-CB 3.81Å; V28-E198 HydrophobicContact CG1-CG 3.45Å; V28-E198 VanDerWaalsContact CG1-CG 3.45Å; V28-E198 HydrophobicContact CG2-CB 4.45Å; V28-E198 HydrophobicContact CG2-CG 4.49Å |
| 199 | I | 84.3 | Confident | 74.5 | Confident | 45 Ų | 45 | 99.1 Ų | 99.1 | 23% | 0.231 | 48% | 0.475 | C | S | . | . | trans | -115.1 | 114.9 | -178.5 | -54.3 | -59.7 | 0 | 0 | 0 | 109.6 | D30 E32 V143 Y201 | D30-I199 HydrophobicContact CB-CB 4.44Å; D30-I199 WeakPolarHBondContact CB-O 3.1Å; D30-I199 PolarHBondContact O-N 3.43Å; E32-I199 HydrophobicContact CB-CD1 4.23Å; E32-I199 HydrophobicContact CB-CG1 4.27Å; E32-I199 HydrophobicContact CG-CD1 3.87Å; E32-I199 HydrophobicContact CG-CG1 3.77Å; E32-I199 VanDerWaalsContact OE1-CD1 3.3Å; E32-I199 WeakPolarHBondContact OE1-CD1 3.27Å; V143-I199 HydrophobicContact CG1-CG2 4.17Å; V143-I199 HydrophobicContact CG2-CB 3.94Å; V143-I199 HydrophobicContact CG2-CG1 4.06Å; V143-I199 HydrophobicContact CG2-CG2 3.8Å; I199-Y201 PolarHBondContact O-N 3.49Å; I199-Y201 VanDerWaalsContact O-N 3.17Å | ||
| 200 | E | 67.8 | Low | 73.2 | Confident | 186 Ų | 186 | 102.2 Ų | 102.2 | 87% | 0.869 | 49% | 0.492 | S | S | * | . | trans | -69.5 | 111.2 | 174.7 | -67.6 | -178.2 | 175.8 | 0 | 0 | 110.6 | ||||
| 201 | Y | 70.3 | Confident | 71.8 | Confident | 121 Ų | 121 | 102.8 Ų | 102.8 | 48% | 0.475 | 50% | 0.497 | S | S | . | . | trans | -127.3 | 122.7 | 177.3 | -175.9 | -101.4 | 0 | 0 | 0 | 111.3 | V143 G144 I199 R203 | V143-Y201 HydrophobicContact CG1-CD2 3.64Å; V143-Y201 HydrophobicContact CG1-CE2 4.37Å; V143-Y201 HydrophobicContact CG1-CG 3.73Å; G144-Y201 VanDerWaalsContact CA-CE1 3.42Å; I199-Y201 PolarHBondContact O-N 3.49Å; I199-Y201 VanDerWaalsContact O-N 3.17Å; Y201-R203 HydrophobicContact CD1-CG 3.54Å; Y201-R203 HydrophobicContact CE1-CG 3.88Å; Y201-R203 PolarHBondContact O-N 3.04Å; Y201-R203 VanDerWaalsContact O-N 3.15Å | ||
| 202 | H | 57.4 | Low | 70.3 | Confident | 189 Ų | 189 | 106.8 Ų | 106.8 | 88% | 0.875 | 52% | 0.518 | S | S | * | . | trans | -76.1 | 101.8 | -178.9 | -69.8 | -58.6 | 0 | 0 | 0 | 111.6 | ||||
| 203 | R | 62 | Low | 69.1 | Low | 55 Ų | 55 | 111.9 Ų | 111.9 | 21% | 0.208 | 54% | 0.538 | C | S | . | . | P | Polyproline II helix | trans | -95.2 | 149.9 | 174.2 | -60.2 | -177.5 | -177 | -144.8 | 4.4 | 111.1 | R29 D30 E145 Y201 | R29-R203 VanDerWaalsContact CZ-NH1 3.25Å; R29-R203 VanDerWaalsContact NH2-NH1 3.11Å; D30-R203 IonicContact OD1-CZ 3.58Å; D30-R203 IonicContact OD1-NE 2.78Å; D30-R203 IonicContact OD1-NH2 3.93Å; D30-R203 PolarHBondContact OD1-NH2 2.95Å; D30-R203 IonicContact OD2-CZ 2.86Å; D30-R203 IonicContact OD2-NE 2.72Å; D30-R203 PolarHBondContact OD2-NE 3.1Å; D30-R203 IonicContact OD2-NH2 3.04Å; D30-R203 PolarHBondContact OD2-NH2 3.24Å; D30-R203 VanDerWaalsContact OD2-NH2 3.11Å; E145-R203 IonicContact OE1-NH1 2.69Å; E145-R203 PolarHBondContact OE1-NH1 2.96Å; Y201-R203 HydrophobicContact CD1-CG 3.54Å; Y201-R203 HydrophobicContact CE1-CG 3.88Å; Y201-R203 PolarHBondContact O-N 3.04Å; Y201-R203 VanDerWaalsContact O-N 3.15Å |
| 204 | A | 53.5 | Low | 68.4 | Low | 97 Ų | 97 | 111.9 Ų | 111.9 | 80% | 0.802 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -81.1 | 117.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | R206 | A204-R206 PolarHBondContact O-N 3.22Š|
| 205 | E | 51.2 | Low | 67.7 | Low | 185 Ų | 185 | 114.8 Ų | 114.8 | 86% | 0.864 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 131.6 | 176.9 | -70.3 | -179.4 | 170.6 | 0 | 0 | 109.8 | ||
| 206 | R | 56.1 | Low | 67.2 | Low | 160 Ų | 160 | 108.1 Ų | 108.1 | 60% | 0.604 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -87.7 | 129.5 | 171.4 | -64.1 | -179.5 | -173.4 | 162.5 | 8.9 | 107 | E145 A204 N208 Y209 | E145-R206 IonicContact OE2-NH2 3.67Å; A204-R206 PolarHBondContact O-N 3.22Å; R206-N208 PolarHBondContact O-N 2.69Å; R206-Y209 WeakPolarHBondContact O-CB 3.31Å; R206-Y209 PolarHBondContact O-N 3.41Å |
| 207 | E | 46.3 | Very low | 66.7 | Low | 189 Ų | 189 | 109.3 Ų | 109.3 | 88% | 0.883 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 136 | 173.9 | -72.1 | 178.9 | 164.7 | 0 | 0 | 110.1 | Y209 | E207-Y209 VanDerWaalsContact C-N 3.32Å; E207-Y209 PolarHBondContact O-N 2.99Å |
| 208 | N | 48.1 | Very low | 66.2 | Low | 173 Ų | 173 | 104.6 Ų | 104.6 | 93% | 0.925 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 16.5 | -178.6 | -55.5 | -30.4 | 0 | 0 | 0 | 117.1 | R206 D210 | R206-N208 PolarHBondContact O-N 2.69Å; N208-D210 PolarHBondContact O-N 2.83Å |
| 209 | Y | 49.9 | Very low | 65.4 | Low | 60 Ų | 60 | 104.1 Ų | 104.1 | 24% | 0.235 | 51% | 0.505 | C | S | . | . | trans | -86.7 | 103.4 | 174.1 | -174.4 | -86.6 | 0 | 0 | 0 | 111.8 | R29 R206 E207 A211 V214 | R29-Y209 VanDerWaalsContact CZ-CE1 3.45Å; R206-Y209 WeakPolarHBondContact O-CB 3.31Å; R206-Y209 PolarHBondContact O-N 3.41Å; E207-Y209 VanDerWaalsContact C-N 3.32Å; E207-Y209 PolarHBondContact O-N 2.99Å; Y209-A211 HydrophobicContact CE1-CB 3.89Å; Y209-V214 HydrophobicContact CD2-CG2 4.4Å; Y209-V214 HydrophobicContact CE1-CG2 4.33Å; Y209-V214 HydrophobicContact CE2-CG2 3.82Å | ||
| 210 | D | 66.1 | Low | 64.2 | Low | 66 Ų | 66 | 106.5 Ų | 106.5 | 35% | 0.353 | 51% | 0.514 | S | S | . | . | trans | -98.9 | 102.4 | 173.4 | -177.8 | -3.6 | 0 | 0 | 0 | 110.7 | N208 N212 K213 V214 | N208-D210 PolarHBondContact O-N 2.83Å; D210-N212 PolarHBondContact O-N 3.27Å; D210-N212 VanDerWaalsContact O-N 3.09Å; D210-N212 WeakPolarHBondContact OD1-CB 3.34Å; D210-N212 PolarHBondContact OD1-N 3.04Å; D210-N212 VanDerWaalsContact OD1-N 3.08Å; D210-K213 HydrophobicContact CB-CB 4.39Å; D210-K213 PolarHBondContact O-N 2.68Å; D210-K213 VanDerWaalsContact OD2-CD 3.31Å; D210-K213 WeakPolarHBondContact OD2-CD 3.44Å; D210-K213 WeakPolarHBondContact OD2-CE 3.43Å; D210-K213 WeakPolarHBondContact OD2-CG 2.97Å; D210-K213 IonicContact OD2-NZ 3.19Å; D210-V214 VanDerWaalsContact O-CG2 3.3Å; D210-V214 WeakPolarHBondContact O-CG2 3.24Å; D210-V214 PolarHBondContact O-N 2.82Å | ||
| 211 | A | 63.3 | Low | 63.6 | Low | 13 Ų | 13 | 100.1 Ų | 100.1 | 11% | 0.107 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -18.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L172 Y209 | L172-A211 HydrophobicContact CD1-CB 3.67Å; L172-A211 HydrophobicContact CG-CB 3.92Å; L172-A211 PolarHBondContact N-O 2.75Å; Y209-A211 HydrophobicContact CE1-CB 3.89Å |
| 212 | N | 64.5 | Low | 62.7 | Low | 90 Ų | 90 | 95.5 Ų | 95.5 | 48% | 0.481 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -23.9 | 175.9 | -67.8 | -17 | 0 | 0 | 0 | 112.4 | L172 D210 | L172-N212 VanDerWaalsContact CB-OD1 3.24Å; L172-N212 WeakPolarHBondContact CB-OD1 3.24Å; D210-N212 PolarHBondContact O-N 3.27Å; D210-N212 VanDerWaalsContact O-N 3.09Å; D210-N212 WeakPolarHBondContact OD1-CB 3.34Å; D210-N212 PolarHBondContact OD1-N 3.04Å; D210-N212 VanDerWaalsContact OD1-N 3.08Å |
| 213 | K | 67.2 | Low | 62.2 | Low | 171 Ų | 171 | 89.9 Ų | 89.9 | 74% | 0.743 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -102.3 | 0.6 | -177.3 | -67.2 | -178.2 | -174.7 | 174 | 0 | 113.9 | D210 | D210-K213 HydrophobicContact CB-CB 4.39Å; D210-K213 PolarHBondContact O-N 2.68Å; D210-K213 VanDerWaalsContact OD2-CD 3.31Å; D210-K213 WeakPolarHBondContact OD2-CD 3.44Å; D210-K213 WeakPolarHBondContact OD2-CE 3.43Å; D210-K213 WeakPolarHBondContact OD2-CG 2.97Å; D210-K213 IonicContact OD2-NZ 3.19Å |
| 214 | V | 74.9 | Confident | 61.4 | Low | 33 Ų | 33 | 91.5 Ų | 91.5 | 20% | 0.2 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 135.2 | -179.9 | 172.7 | 0 | 0 | 0 | 0 | 109 | I169 P171 Y209 D210 | I169-V214 HydrophobicContact CG2-CG1 3.18Å; P171-V214 WeakPolarHBondContact CB-O 3.23Å; P171-V214 WeakPolarHBondContact CG-O 3.18Å; Y209-V214 HydrophobicContact CD2-CG2 4.4Å; Y209-V214 HydrophobicContact CE1-CG2 4.33Å; Y209-V214 HydrophobicContact CE2-CG2 3.82Å; D210-V214 VanDerWaalsContact O-CG2 3.3Å; D210-V214 WeakPolarHBondContact O-CG2 3.24Å; D210-V214 PolarHBondContact O-N 2.82Å |
| 215 | E | 78.4 | Confident | 61.1 | Low | 121 Ų | 121 | 96.1 Ų | 96.1 | 57% | 0.565 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -82 | 145 | 173.8 | -68 | -164.4 | 152.6 | 0 | 0 | 111.4 | N217 | E215-N217 PolarHBondContact O-N 2.86Š|
| 216 | P | 82.3 | Confident | 60.6 | Low | 6 Ų | 6 | 94.3 Ų | 94.3 | 4% | 0.039 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 121 | 178.6 | 20.5 | -24.5 | 0 | 0 | 0 | 110.4 | K73 V100 N101 I169 P171 Y174 | K73-P216 HydrophobicContact CB-CG 4.42Å; V100-P216 HydrophobicContact CG1-CB 4.05Å; N101-P216 VanDerWaalsContact O-CG 3.31Å; N101-P216 WeakPolarHBondContact O-CG 3.32Å; I169-P216 WeakPolarHBondContact O-CA 3.29Å; P171-P216 HydrophobicContact CG-CB 4.11Å; P171-P216 HydrophobicContact CG-CG 4.17Å; Y174-P216 HydrophobicContact CE2-CG 4.2Å |
| 217 | N | 82.7 | Confident | 59.8 | Low | 95 Ų | 95 | 92.1 Ų | 92.1 | 51% | 0.508 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 155 | -173.5 | -169.9 | 6.3 | 0 | 0 | 0 | 111.1 | I169 E215 | I169-N217 WeakPolarHBondContact CA-O 3.27Å; I169-N217 HydrophobicContact CB-CB 4.48Å; I169-N217 PolarHBondContact N-O 2.87Å; I169-N217 PolarHBondContact O-N 2.9Å; E215-N217 PolarHBondContact O-N 2.86Å |
| 218 | A | 78.1 | Confident | 59.5 | Low | 7 Ų | 7 | 89.3 Ų | 89.3 | 6% | 0.058 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 135.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V100 L118 V168 K220 V221 | V100-A218 HydrophobicContact CB-CB 4.34Å; V100-A218 HydrophobicContact CG2-CB 4.48Å; L118-A218 HydrophobicContact CD1-CB 3.27Å; V168-A218 HydrophobicContact CG2-CB 4.35Å; A218-K220 PolarHBondContact O-N 3.38Å; A218-K220 VanDerWaalsContact O-N 3.11Å; A218-V221 HydrophobicContact CB-CG2 4.07Å |
| 219 | E | 69.9 | Low | 59 | Low | 125 Ų | 125 | 86.4 Ų | 86.4 | 58% | 0.584 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -65.3 | -17.8 | -177.8 | -161.1 | -168.9 | 175.8 | 0 | 0 | 113.4 | N167 | N167-E219 HydrophobicContact CB-CB 3.95Å; N167-E219 WeakPolarHBondContact CB-OE2 3.15Å; N167-E219 PolarHBondContact ND2-OE2 3.27Å; N167-E219 PolarHBondContact O-N 3.18Å |
| 220 | K | 57.4 | Low | 58.5 | Low | 94 Ų | 94 | 91.6 Ų | 91.6 | 41% | 0.409 | 47% | 0.472 | S | S | . | . | trans | -128.6 | 88.3 | 179.3 | -53.7 | -160.6 | 176.9 | 176.1 | 0 | 110.6 | G119 A218 | G119-K220 VanDerWaalsContact CA-O 3.3Å; G119-K220 WeakPolarHBondContact CA-O 3.34Å; G119-K220 PolarHBondContact N-O 3.44Å; A218-K220 PolarHBondContact O-N 3.38Å; A218-K220 VanDerWaalsContact O-N 3.11Å | ||
| 221 | V | 55.4 | Low | 56.8 | Low | 53 Ų | 53 | 95.2 Ų | 95.2 | 32% | 0.321 | 49% | 0.491 | S | S | . | . | B | Isolated β-bridge | trans | -108.5 | 145 | 164 | -170.5 | 0 | 0 | 0 | 0 | 107.9 | A218 | A218-V221 HydrophobicContact CB-CG2 4.07Å |
| 222 | S | 52.6 | Low | 55.4 | Low | 23 Ų | 23 | 99.8 Ų | 99.8 | 16% | 0.161 | 52% | 0.52 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 146.9 | 167.4 | 21.8 | 0 | 0 | 0 | 0 | 110.3 | T114 H115 Q117 | T114-S222 PolarHBondContact O-OG 2.77Å; H115-S222 VanDerWaalsContact C-OG 3.28Å; H115-S222 WeakPolarHBondContact O-CB 3.33Å; H115-S222 PolarHBondContact O-OG 2.77Å; Q117-S222 PolarHBondContact N-OG 3.24Å; Q117-S222 PolarHBondContact O-OG 3.03Å; Q117-S222 VanDerWaalsContact O-OG 3.12Å |
| 223 | A | 45.5 | Very low | 54 | Low | 71 Ų | 71 | 101.3 Ų | 101.3 | 59% | 0.587 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 127.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | R225 | A223-R225 PolarHBondContact O-N 3.5Š|
| 224 | P | 45.2 | Very low | 52.3 | Low | 89 Ų | 89 | 98.4 Ų | 98.4 | 58% | 0.578 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 132.7 | 172.2 | 22.6 | -30.2 | 0 | 0 | 0 | 109.3 | L105 | L105-P224 HydrophobicContact CD2-CB 4.47Š|
| 225 | R | 47.4 | Very low | 50.4 | Low | 194 Ų | 194 | 101.5 Ų | 101.5 | 73% | 0.732 | 56% | 0.557 | S | S | * | * | trans | -110.3 | 134 | 174.4 | -66 | 177.9 | 176.5 | 179.6 | -4.1 | 107 | A223 | A223-R225 PolarHBondContact O-N 3.5Š| ||
| 226 | D | 41.7 | Very low | 48.8 | Very low | 148 Ų | 148 | 106.7 Ų | 106.7 | 79% | 0.791 | 57% | 0.571 | S | S | * | * | trans | -61.5 | 137.9 | -177.5 | -63.5 | -33.5 | 0 | 0 | 0 | 111.5 | I228 | D226-I228 PolarHBondContact O-N 3.35Š| ||
| 227 | H | 40.1 | Very low | 47 | Very low | 114 Ų | 114 | 113.7 Ų | 113.7 | 53% | 0.528 | 61% | 0.607 | S | S | . | * | trans | -69.4 | 118.3 | 171.7 | -173.6 | 79.7 | 0 | 0 | 0 | 108.1 | D229 | H227-D229 IonicContact CD2-OD1 3.52Å; H227-D229 PolarHBondContact CD2-OD1 3.4Å; H227-D229 IonicContact NE2-OD1 3.18Å; H227-D229 PolarHBondContact NE2-OD1 2.7Å | ||
| 228 | I | 39.2 | Very low | 45.1 | Very low | 129 Ų | 129 | 112.3 Ų | 112.3 | 66% | 0.662 | 61% | 0.605 | S | S | * | * | trans | -99.2 | 109.4 | 172.9 | -60.8 | 173.1 | 0 | 0 | 0 | 105.4 | D226 D230 | D226-I228 PolarHBondContact O-N 3.35Å; I228-D230 PolarHBondContact O-N 3.38Å | ||
| 229 | D | 37 | Very low | 43.7 | Very low | 113 Ų | 113 | 119.9 Ų | 119.9 | 60% | 0.604 | 64% | 0.637 | S | S | * | * | trans | -55.5 | 131.8 | 172.1 | -68.3 | -41.4 | 0 | 0 | 0 | 109.5 | H227 N231 | H227-D229 IonicContact CD2-OD1 3.52Å; H227-D229 PolarHBondContact CD2-OD1 3.4Å; H227-D229 IonicContact NE2-OD1 3.18Å; H227-D229 PolarHBondContact NE2-OD1 2.7Å; D229-N231 VanDerWaalsContact C-N 3.31Å; D229-N231 PolarHBondContact O-N 3.47Å | ||
| 230 | D | 39.1 | Very low | 42.7 | Very low | 168 Ų | 168 | 121 Ų | 121 | 90% | 0.898 | 65% | 0.646 | S | S | * | * | trans | -63.1 | 89.8 | 176.2 | -84.7 | -27 | 0 | 0 | 0 | 109.9 | I228 | I228-D230 PolarHBondContact O-N 3.38Š| ||
| 231 | N | 30.8 | Very low | 42.3 | Very low | 142 Ų | 142 | 126.4 Ų | 126.4 | 76% | 0.759 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 128.4 | 177.1 | -87.4 | -42.7 | 0 | 0 | 0 | 110.5 | D229 | D229-N231 VanDerWaalsContact C-N 3.31Å; D229-N231 PolarHBondContact O-N 3.47Å |
| 232 | P | 33.9 | Very low | 42.1 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 71% | 0.708 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 147.3 | -177.9 | 24.6 | -31.7 | 0 | 0 | 0 | 111.6 | ||
| 233 | P | 35.9 | Very low | 42.3 | Very low | 122 Ų | 122 | 129 Ų | 129 | 79% | 0.792 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 136.6 | -161.1 | 24 | -33.5 | 0 | 0 | 0 | 112.8 | ||
| 234 | P | 31.1 | Very low | 43.3 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 71% | 0.714 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 145.7 | -169.6 | 28.9 | -33.7 | 0 | 0 | 0 | 112.5 | ||
| 235 | S | 35.5 | Very low | 44.1 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 69% | 0.692 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 145.5 | -176.1 | 64.4 | 0 | 0 | 0 | 0 | 112.7 | L237 S238 | S235-L237 PolarHBondContact O-N 3.44Å; S235-S238 PolarHBondContact O-N 2.85Å |
| 236 | R | 43.6 | Very low | 45 | Very low | 229 Ų | 229 | 132.4 Ų | 132.4 | 86% | 0.864 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -8.5 | -166.3 | -79.3 | -177.1 | 175.5 | -177.1 | -1.7 | 116.6 | ||
| 237 | L | 44.2 | Very low | 46.6 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 80% | 0.801 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -19.4 | -178.1 | -106.2 | 92.4 | 0 | 0 | 0 | 114.7 | S235 K239 | S235-L237 PolarHBondContact O-N 3.44Å; L237-K239 VanDerWaalsContact C-N 3.33Å; L237-K239 PolarHBondContact O-N 3.13Å |
| 238 | S | 43.9 | Very low | 48.1 | Very low | 67 Ų | 67 | 129.4 Ų | 129.4 | 47% | 0.469 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -73.3 | -25.2 | 178.5 | 79.2 | 0 | 0 | 0 | 0 | 113.4 | S235 L240 R241 T242 | S235-S238 PolarHBondContact O-N 2.85Å; S238-L240 VanDerWaalsContact C-N 3.28Å; S238-L240 PolarHBondContact O-N 2.8Å; S238-R241 PolarHBondContact O-N 2.81Å; S238-T242 PolarHBondContact O-N 3.18Å |
| 239 | K | 47.8 | Very low | 49.4 | Very low | 165 Ų | 165 | 125.6 Ų | 125.6 | 72% | 0.717 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.7 | -23.7 | -178.6 | -76.2 | -172.9 | 176.2 | -177.3 | 0 | 114.1 | L237 T242 G243 | L237-K239 VanDerWaalsContact C-N 3.33Å; L237-K239 PolarHBondContact O-N 3.13Å; K239-T242 PolarHBondContact O-OG1 2.75Å; K239-G243 PolarHBondContact O-N 2.84Å |
| 240 | L | 49.8 | Very low | 51 | Low | 148 Ų | 148 | 125.1 Ų | 125.1 | 78% | 0.775 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73.7 | -31.3 | 175.9 | -114.6 | 109 | 0 | 0 | 0 | 112.1 | S238 F244 | S238-L240 VanDerWaalsContact C-N 3.28Å; S238-L240 PolarHBondContact O-N 2.8Å; L240-F244 PolarHBondContact O-N 2.99Å |
| 241 | R | 47.7 | Very low | 52.8 | Low | 209 Ų | 209 | 121.2 Ų | 121.2 | 79% | 0.789 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -77.2 | -36.1 | -176.3 | -142.2 | 176.6 | -176.4 | 176.8 | 0.7 | 112.1 | S238 L245 | S238-R241 PolarHBondContact O-N 2.81Å; R241-L245 PolarHBondContact O-N 2.87Å |
| 242 | T | 52.7 | Low | 54.7 | Low | 93 Ų | 93 | 119.5 Ų | 119.5 | 57% | 0.571 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.9 | -33.6 | 174.3 | 45.5 | 0 | 0 | 0 | 0 | 112.7 | S238 K239 F244 L245 F246 | S238-T242 PolarHBondContact O-N 3.18Å; K239-T242 PolarHBondContact O-OG1 2.75Å; T242-F244 VanDerWaalsContact C-N 3.32Å; T242-F244 PolarHBondContact O-N 2.75Å; T242-L245 PolarHBondContact O-N 2.98Å; T242-F246 PolarHBondContact O-N 3.44Å; T242-F246 VanDerWaalsContact O-N 3.14Å |
| 243 | G | 55.7 | Low | 56.4 | Low | 36 Ų | 36 | 118.1 Ų | 118.1 | 37% | 0.371 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -60.6 | -39.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K239 F246 V247 | K239-G243 PolarHBondContact O-N 2.84Å; G243-F246 PolarHBondContact O-N 2.78Å; G243-V247 WeakPolarHBondContact O-CG2 3.5Å; G243-V247 PolarHBondContact O-N 3.19Å |
| 244 | F | 66.9 | Low | 57.8 | Low | 158 Ų | 158 | 114.9 Ų | 114.9 | 69% | 0.693 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69 | -38.3 | 179.9 | -158.6 | -94.8 | 0 | 0 | 0 | 112.8 | L240 T242 M248 | L240-F244 PolarHBondContact O-N 2.99Å; T242-F244 VanDerWaalsContact C-N 3.32Å; T242-F244 PolarHBondContact O-N 2.75Å; F244-M248 PolarHBondContact O-N 2.89Å |
| 245 | L | 62.7 | Low | 59.5 | Low | 126 Ų | 126 | 113.5 Ų | 113.5 | 66% | 0.66 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.9 | -34.8 | 175.9 | -82.2 | 164.9 | 0 | 0 | 0 | 112.6 | R241 T242 M248 A249 | R241-L245 PolarHBondContact O-N 2.87Å; T242-L245 PolarHBondContact O-N 2.98Å; L245-M248 PolarHBondContact O-N 3.42Å; L245-A249 PolarHBondContact O-N 3.48Å; L245-A249 VanDerWaalsContact O-N 3.12Å |
| 246 | F | 66.8 | Low | 60.8 | Low | 143 Ų | 143 | 113.3 Ų | 113.3 | 63% | 0.627 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.4 | -36.8 | 179.3 | -159 | -95.6 | 0 | 0 | 0 | 112.5 | T242 G243 A249 L250 | T242-F246 PolarHBondContact O-N 3.44Å; T242-F246 VanDerWaalsContact O-N 3.14Å; G243-F246 PolarHBondContact O-N 2.78Å; F246-A249 PolarHBondContact O-N 3.05Å; F246-L250 HydrophobicContact CD1-CD1 3.88Å; F246-L250 HydrophobicContact CD1-CG 4.41Å; F246-L250 HydrophobicContact CE1-CD1 3.84Å; F246-L250 HydrophobicContact CE1-CG 4.3Å; F246-L250 PolarHBondContact O-N 2.77Å; F246-L250 VanDerWaalsContact O-N 3.13Å |
| 247 | V | 73.7 | Confident | 61.6 | Low | 90 Ų | 90 | 106.8 Ų | 106.8 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.4 | -40.7 | 175 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | G243 A249 L250 V251 | G243-V247 WeakPolarHBondContact O-CG2 3.5Å; G243-V247 PolarHBondContact O-N 3.19Å; V247-A249 VanDerWaalsContact C-N 3.34Å; V247-A249 PolarHBondContact O-N 2.88Å; V247-L250 PolarHBondContact O-N 3.37Å; V247-V251 WeakPolarHBondContact O-CG2 3.4Å; V247-V251 PolarHBondContact O-N 3.31Å; V247-V251 VanDerWaalsContact O-N 3.16Å |
| 248 | M | 72.4 | Confident | 62.2 | Low | 108 Ų | 108 | 104.5 Ų | 104.5 | 53% | 0.532 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.9 | -39.6 | 175.9 | -75.5 | -69.1 | -74.4 | 0 | 0 | 112.4 | F244 L245 V251 I252 | F244-M248 PolarHBondContact O-N 2.89Å; L245-M248 PolarHBondContact O-N 3.42Å; M248-V251 PolarHBondContact O-N 2.78Å; M248-I252 WeakPolarHBondContact O-CG1 3.37Å; M248-I252 PolarHBondContact O-N 2.82Å |
| 249 | A | 66.1 | Low | 62.5 | Low | 50 Ų | 50 | 107.3 Ų | 107.3 | 41% | 0.413 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.7 | -39.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L245 F246 V247 V251 I252 V253 | L245-A249 PolarHBondContact O-N 3.48Å; L245-A249 VanDerWaalsContact O-N 3.12Å; F246-A249 PolarHBondContact O-N 3.05Å; V247-A249 VanDerWaalsContact C-N 3.34Å; V247-A249 PolarHBondContact O-N 2.88Å; A249-V251 PolarHBondContact O-N 3.04Å; A249-I252 PolarHBondContact O-N 2.82Å; A249-V253 WeakPolarHBondContact O-CG2 3.22Å; A249-V253 PolarHBondContact O-N 2.91Å |
| 250 | L | 71.5 | Confident | 62.4 | Low | 102 Ų | 102 | 102 Ų | 102 | 53% | 0.534 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.4 | -36.6 | 177.6 | -78.7 | 170.2 | 0 | 0 | 0 | 112.9 | F246 V247 V253 A254 | F246-L250 HydrophobicContact CD1-CD1 3.88Å; F246-L250 HydrophobicContact CD1-CG 4.41Å; F246-L250 HydrophobicContact CE1-CD1 3.84Å; F246-L250 HydrophobicContact CE1-CG 4.3Å; F246-L250 PolarHBondContact O-N 2.77Å; F246-L250 VanDerWaalsContact O-N 3.13Å; V247-L250 PolarHBondContact O-N 3.37Å; L250-V253 PolarHBondContact O-N 3.35Å; L250-A254 WeakPolarHBondContact O-CB 3.43Å; L250-A254 PolarHBondContact O-N 3.46Å |
| 251 | V | 75.7 | Confident | 61.9 | Low | 86 Ų | 86 | 101.1 Ų | 101.1 | 52% | 0.521 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.6 | -40.2 | 175.8 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | V247 M248 A249 A254 V255 | V247-V251 WeakPolarHBondContact O-CG2 3.4Å; V247-V251 PolarHBondContact O-N 3.31Å; V247-V251 VanDerWaalsContact O-N 3.16Å; M248-V251 PolarHBondContact O-N 2.78Å; A249-V251 PolarHBondContact O-N 3.04Å; V251-A254 PolarHBondContact O-N 3.09Å; V251-V255 WeakPolarHBondContact O-CG2 3.43Å; V251-V255 PolarHBondContact O-N 2.9Å; V251-V255 VanDerWaalsContact O-N 3.16Å |
| 252 | I | 71 | Confident | 61.3 | Low | 107 Ų | 107 | 98.2 Ų | 98.2 | 55% | 0.549 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.3 | -42.6 | 178 | -65.3 | 167.5 | 0 | 0 | 0 | 111 | M248 A249 A254 V255 V256 | M248-I252 WeakPolarHBondContact O-CG1 3.37Å; M248-I252 PolarHBondContact O-N 2.82Å; A249-I252 PolarHBondContact O-N 2.82Å; I252-A254 VanDerWaalsContact C-N 3.33Å; I252-A254 PolarHBondContact O-N 2.79Å; I252-V255 PolarHBondContact O-N 2.71Å; I252-V256 WeakPolarHBondContact O-CG2 3.41Å; I252-V256 PolarHBondContact O-N 3.45Å; I252-V256 VanDerWaalsContact O-N 3.12Å |
| 253 | V | 69.1 | Low | 60.4 | Low | 80 Ų | 80 | 102.6 Ų | 102.6 | 49% | 0.485 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.7 | -39.1 | 177.2 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | A249 L250 V255 V256 I257 | A249-V253 WeakPolarHBondContact O-CG2 3.22Å; A249-V253 PolarHBondContact O-N 2.91Å; L250-V253 PolarHBondContact O-N 3.35Å; V253-V255 VanDerWaalsContact C-N 3.34Å; V253-V255 PolarHBondContact O-N 2.84Å; V253-V256 PolarHBondContact O-N 3.34Å; V253-I257 HydrophobicContact CG1-CD1 3.77Å; V253-I257 HydrophobicContact CG1-CG1 4.4Å; V253-I257 VanDerWaalsContact O-CG1 3.32Å; V253-I257 WeakPolarHBondContact O-CG1 2.94Å; V253-I257 PolarHBondContact O-N 3.14Å |
| 254 | A | 65.8 | Low | 59 | Low | 53 Ų | 53 | 108.5 Ų | 108.5 | 44% | 0.438 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.8 | -39.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | L250 V251 I252 I257 V258 | L250-A254 WeakPolarHBondContact O-CB 3.43Å; L250-A254 PolarHBondContact O-N 3.46Å; V251-A254 PolarHBondContact O-N 3.09Å; I252-A254 VanDerWaalsContact C-N 3.33Å; I252-A254 PolarHBondContact O-N 2.79Å; A254-I257 PolarHBondContact O-N 3.41Å; A254-V258 WeakPolarHBondContact O-CG2 3.3Å; A254-V258 PolarHBondContact O-N 3.43Å; A254-V258 VanDerWaalsContact O-N 3.08Å |
| 255 | V | 67.7 | Low | 57 | Low | 82 Ų | 82 | 111.7 Ų | 111.7 | 50% | 0.497 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.6 | -40.6 | 176.1 | 174 | 0 | 0 | 0 | 0 | 111.3 | V251 I252 V253 V258 I259 | V251-V255 WeakPolarHBondContact O-CG2 3.43Å; V251-V255 PolarHBondContact O-N 2.9Å; V251-V255 VanDerWaalsContact O-N 3.16Å; I252-V255 PolarHBondContact O-N 2.71Å; V253-V255 VanDerWaalsContact C-N 3.34Å; V253-V255 PolarHBondContact O-N 2.84Å; V255-V258 PolarHBondContact O-N 2.98Å; V255-I259 HydrophobicContact CG1-CD1 4.02Å; V255-I259 WeakPolarHBondContact O-CG1 3.38Å; V255-I259 PolarHBondContact O-N 3.3Å; V255-I259 VanDerWaalsContact O-N 3.1Å |
| 256 | V | 62 | Low | 55.3 | Low | 94 Ų | 94 | 110.7 Ų | 110.7 | 57% | 0.57 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.5 | -37 | 178.4 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | I252 V253 I259 G260 | I252-V256 WeakPolarHBondContact O-CG2 3.41Å; I252-V256 PolarHBondContact O-N 3.45Å; I252-V256 VanDerWaalsContact O-N 3.12Å; V253-V256 PolarHBondContact O-N 3.34Å; V256-I259 PolarHBondContact O-N 2.93Å; V256-G260 PolarHBondContact O-N 3.41Å |
| 257 | I | 60.1 | Low | 53.3 | Low | 93 Ų | 93 | 113.7 Ų | 113.7 | 48% | 0.477 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.5 | -37.7 | 176.2 | -68.1 | 168.9 | 0 | 0 | 0 | 111.2 | V253 A254 I259 G260 L261 | V253-I257 HydrophobicContact CG1-CD1 3.77Å; V253-I257 HydrophobicContact CG1-CG1 4.4Å; V253-I257 VanDerWaalsContact O-CG1 3.32Å; V253-I257 WeakPolarHBondContact O-CG1 2.94Å; V253-I257 PolarHBondContact O-N 3.14Å; A254-I257 PolarHBondContact O-N 3.41Å; I257-I259 VanDerWaalsContact C-N 3.31Å; I257-I259 PolarHBondContact O-N 3.04Å; I257-G260 PolarHBondContact O-N 3.17Å; I257-L261 HydrophobicContact CG2-CD1 3.73Å; I257-L261 HydrophobicContact CG2-CG 4.31Å; I257-L261 WeakPolarHBondContact O-CB 3.46Å; I257-L261 WeakPolarHBondContact O-CG 3.32Å; I257-L261 PolarHBondContact O-N 2.94Å |
| 258 | V | 57.7 | Low | 51.4 | Low | 105 Ų | 105 | 114.7 Ų | 114.7 | 64% | 0.636 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.8 | -35.3 | 175.3 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | A254 V255 | A254-V258 WeakPolarHBondContact O-CG2 3.3Å; A254-V258 PolarHBondContact O-N 3.43Å; A254-V258 VanDerWaalsContact O-N 3.08Å; V255-V258 PolarHBondContact O-N 2.98Å |
| 259 | I | 50.4 | Low | 49.2 | Very low | 125 Ų | 125 | 121.6 Ų | 121.6 | 64% | 0.641 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73.1 | -37.3 | 175.4 | -64 | 167.3 | 0 | 0 | 0 | 111.2 | V255 V256 I257 L261 | V255-I259 HydrophobicContact CG1-CD1 4.02Å; V255-I259 WeakPolarHBondContact O-CG1 3.38Å; V255-I259 PolarHBondContact O-N 3.3Å; V255-I259 VanDerWaalsContact O-N 3.1Å; V256-I259 PolarHBondContact O-N 2.93Å; I257-I259 VanDerWaalsContact C-N 3.31Å; I257-I259 PolarHBondContact O-N 3.04Å; I259-L261 PolarHBondContact O-N 2.98Å |
| 260 | G | 45.5 | Very low | 47.1 | Very low | 55 Ų | 55 | 123.2 Ų | 123.2 | 57% | 0.567 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -70.7 | -27.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V256 I257 N262 | V256-G260 PolarHBondContact O-N 3.41Å; I257-G260 PolarHBondContact O-N 3.17Å; G260-N262 VanDerWaalsContact C-N 3.27Å; G260-N262 PolarHBondContact O-N 3.03Å |
| 261 | L | 38.8 | Very low | 44.9 | Very low | 128 Ų | 128 | 122.3 Ų | 122.3 | 67% | 0.67 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 1 | -177.7 | -76.2 | 169.7 | 0 | 0 | 0 | 114.8 | I257 I259 | I257-L261 HydrophobicContact CG2-CD1 3.73Å; I257-L261 HydrophobicContact CG2-CG 4.31Å; I257-L261 WeakPolarHBondContact O-CB 3.46Å; I257-L261 WeakPolarHBondContact O-CG 3.32Å; I257-L261 PolarHBondContact O-N 2.94Å; I259-L261 PolarHBondContact O-N 2.98Å |
| 262 | N | 35.2 | Very low | 42.6 | Very low | 148 Ų | 148 | 127.8 Ų | 127.8 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 11.9 | 176.7 | -107.8 | -6.4 | 0 | 0 | 0 | 114.9 | G260 | G260-N262 VanDerWaalsContact C-N 3.27Å; G260-N262 PolarHBondContact O-N 3.03Å |
| 263 | M | 33.1 | Very low | 40.5 | Very low | 186 Ų | 186 | 130.3 Ų | 130.3 | 92% | 0.916 | 72% | 0.716 | S | S | * | * | trans | -103.1 | 65.7 | 166.2 | -72.4 | -168.7 | 78.3 | 0 | 0 | 110.7 | ||||
| 264 | E | 26.9 | Very low | 38.4 | Very low | 159 Ų | 159 | 133.2 Ų | 133.2 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | -116.4 | 117.5 | 170.4 | -165.7 | -179.8 | -140.7 | 0 | 0 | 107.6 | ||||
| 265 | R | 25.5 | Very low | 36.5 | Very low | 226 Ų | 226 | 136.9 Ų | 136.9 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | trans | 166.9 | 127.3 | 135.8 | -91.2 | 164.4 | -172.7 | -165.2 | 2.5 | 114 | ||||
| 266 | S | 26.2 | Very low | 34.7 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 82.2 | 114.4 | 149 | -49 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 267 | F | 25.1 | Very low | 33.7 | Very low | 207 Ų | 207 | 140.3 Ų | 140.3 | 91% | 0.908 | 76% | 0.762 | S | S | * | * | -167.3 | 147.6 | 113.8 | -113.8 | -96.6 | 0 | 0 | 0 | 110.3 | |||||
| 268 | P | 33.2 | Very low | 32 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | trans | -109.7 | 165.6 | -138.5 | 39.4 | -32.6 | 0 | 0 | 0 | 116.2 | ||||
| 269 | R | 26.2 | Very low | 30.4 | Very low | 252 Ų | 252 | 146 Ų | 146 | 95% | 0.951 | 78% | 0.783 | S | S | * | * | trans | -63.4 | 142.1 | 170.8 | -62.2 | 171.9 | 174.3 | 174.3 | -2.3 | 112.4 | ||||
| 270 | G | 22.7 | Very low | 29.1 | Very low | 85 Ų | 85 | 147.7 Ų | 147.7 | 88% | 0.876 | 79% | 0.788 | S | S | * | * | trans | 175 | 117.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 271 | G | 25.7 | Very low | 28.4 | Very low | 83 Ų | 83 | 151.4 Ų | 151.4 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | 145.3 | 76.3 | 165 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 272 | K | 27.2 | Very low | 27.9 | Very low | 201 Ų | 201 | 150.3 Ų | 150.3 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -74.8 | 140.1 | 161.1 | -82.1 | 177.1 | 173 | 176.7 | 0 | 109.4 | ||||
| 273 | L | 26.2 | Very low | 27.5 | Very low | 160 Ų | 160 | 148.1 Ų | 148.1 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -156.9 | 87.1 | 153.9 | -105.5 | 147.4 | 0 | 0 | 0 | 110 | ||||
| 274 | I | 25 | Very low | 27.6 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 72% | 0.723 | 80% | 0.796 | S | S | * | * | 75.8 | 105.1 | 115 | -60 | 175.6 | 0 | 0 | 0 | 114.7 | |||||
| 275 | V | 26.2 | Very low | 28 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 79% | 0.788 | 80% | 0.803 | S | S | * | * | trans | -71.6 | 133.9 | 159.9 | 175.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 276 | N | 29.8 | Very low | 28.9 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -141.7 | 128 | 151.5 | -96.1 | -18.4 | 0 | 0 | 0 | 109.4 | ||||
| 277 | P | 41.5 | Very low | 29.5 | Very low | 98 Ų | 98 | 142 Ų | 142 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | trans | -85.4 | 171.2 | 174.4 | 37.4 | -32.3 | 0 | 0 | 0 | 110 | ||||
| 278 | L | 22.9 | Very low | 29.7 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | 174.4 | 122.1 | 137.9 | -90.4 | 162 | 0 | 0 | 0 | 112.1 | ||||
| 279 | H | 25.1 | Very low | 29.4 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | 54.7 | 129.8 | 142.2 | -87.6 | -74 | 0 | 0 | 0 | 125.3 | ||||
| 280 | E | 22.8 | Very low | 29.4 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -22.3 | 142.4 | 155.4 | -66 | 166.6 | 140.2 | 0 | 0 | 118.5 | ||||
| 281 | P | 31.7 | Very low | 29.5 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | trans | -104.8 | 105.4 | 150.2 | 32.2 | -19.2 | 0 | 0 | 0 | 110.3 | ||||
| 282 | S | 27.4 | Very low | 29.4 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -76 | 129.6 | 164.8 | 50.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 283 | S | 27.4 | Very low | 29.4 | Very low | 103 Ų | 103 | 142 Ų | 142 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | 47.1 | 123.4 | 154 | 68.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 284 | P | 35.5 | Very low | 29.5 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | -132.6 | 84.8 | 144.3 | 36.6 | -19.7 | 0 | 0 | 0 | 111.7 | ||||
| 285 | F | 34.4 | Very low | 29.5 | Very low | 201 Ų | 201 | 146.5 Ų | 146.5 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | -130 | 156.6 | 132.7 | -79.1 | -64.6 | 0 | 0 | 0 | 104.9 | ||||
| 286 | P | 44.3 | Very low | 29.5 | Very low | 115 Ų | 115 | 152 Ų | 152 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | cis | -132.9 | -142.5 | -5.6 | 38.4 | -15.9 | 0 | 0 | 0 | 107.4 | ||||
| 287 | P | 40 | Very low | 29.2 | Very low | 106 Ų | 106 | 154.3 Ų | 154.3 | 69% | 0.688 | 80% | 0.795 | S | S | * | * | cis | -127.1 | 159.5 | -24.7 | 25.5 | -4.1 | 0 | 0 | 0 | 113.5 | A289 | P287-A289 PolarHBondContact O-N 2.81Š| ||
| 288 | S | 29.4 | Very low | 28.4 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -47.9 | 124.6 | 157.5 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 289 | A | 26 | Very low | 28.6 | Very low | 90 Ų | 90 | 153.2 Ų | 153.2 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | -144.1 | 105.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P287 | P287-A289 PolarHBondContact O-N 2.81Š| ||
| 290 | K | 25.8 | Very low | 28.5 | Very low | 194 Ų | 194 | 153.4 Ų | 153.4 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | 33.6 | 120.2 | 138.3 | -65 | 174.1 | 178.6 | 174.6 | 0 | 118.5 | ||||
| 291 | N | 25.8 | Very low | 28.8 | Very low | 140 Ų | 140 | 151.4 Ų | 151.4 | 75% | 0.749 | 81% | 0.813 | S | S | * | * | 174 | 111.6 | 121 | -89.1 | -30.9 | 0 | 0 | 0 | 109.4 | |||||
| 292 | K | 23.7 | Very low | 28.5 | Very low | 174 Ų | 174 | 149.9 Ų | 149.9 | 76% | 0.757 | 81% | 0.811 | S | S | * | * | 81.1 | 116.9 | 96.2 | -88.1 | -177.4 | 177.1 | 173 | 0 | 113.6 | |||||
| 293 | R | 25.7 | Very low | 28.3 | Very low | 219 Ų | 219 | 149.1 Ų | 149.1 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | 49.1 | 118.9 | 141.6 | -72.9 | 178.6 | 168.9 | 173.2 | -3.8 | 116.6 | ||||
| 294 | D | 28.2 | Very low | 28.4 | Very low | 165 Ų | 165 | 149.4 Ų | 149.4 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | -159 | 135.4 | 104.6 | -98.9 | -26.6 | 0 | 0 | 0 | 115.2 | |||||
| 295 | R | 25 | Very low | 27.9 | Very low | 232 Ų | 232 | 152.6 Ų | 152.6 | 88% | 0.875 | 82% | 0.818 | S | S | * | * | trans | -72.3 | 143.8 | 175.5 | -72 | 164.7 | 152.8 | 174.1 | -8.1 | 110.2 | ||||
| 296 | R | 26.6 | Very low | 27.7 | Very low | 245 Ų | 245 | 152.3 Ų | 152.3 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | trans | -164.8 | 92.4 | 139.6 | -102.5 | 160.9 | -168.8 | -158.4 | 3.2 | 107.6 | ||||
| 297 | K | 23.8 | Very low | 26.9 | Very low | 198 Ų | 198 | 153.1 Ų | 153.1 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | 70.4 | 90.3 | 94.3 | -84.8 | -170 | 174.3 | -176.8 | 0 | 113.2 | |||||
| 298 | A | 24.3 | Very low | 26.4 | Very low | 89 Ų | 89 | 155.1 Ų | 155.1 | 74% | 0.736 | 82% | 0.822 | S | S | * | * | 38.8 | 113.2 | 121.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 299 | T | 27 | Very low | 26.5 | Very low | 143 Ų | 143 | 157.3 Ų | 157.3 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | -128.1 | 112.4 | 140.7 | 40.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 300 | N | 24.2 | Very low | 27 | Very low | 163 Ų | 163 | 161.7 Ų | 161.7 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | trans | -59.4 | 129.4 | 171.1 | -71.5 | -29.6 | 0 | 0 | 0 | 110.4 | ||||
| 301 | S | 28.6 | Very low | 27.9 | Very low | 120 Ų | 120 | 156 Ų | 156 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | -142 | 86.4 | 147.9 | 59.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 302 | A | 24.5 | Very low | 29.2 | Very low | 101 Ų | 101 | 154 Ų | 154 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -69.5 | 131.5 | 163 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 303 | A | 25 | Very low | 30.7 | Very low | 88 Ų | 88 | 149.2 Ų | 149.2 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 161.2 | 106.2 | 130.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 304 | S | 29.5 | Very low | 32.1 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | 44.6 | 89.9 | 136.4 | 62.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 305 | E | 25.1 | Very low | 33.7 | Very low | 189 Ų | 189 | 140.9 Ų | 140.9 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | trans | -136.1 | 87.4 | 140.4 | -74.4 | -171.8 | 158.7 | 0 | 0 | 107.1 | D307 | E305-D307 PolarHBondContact O-N 3.38Š| ||
| 306 | E | 28.3 | Very low | 35.4 | Very low | 196 Ų | 196 | 132.6 Ų | 132.6 | 92% | 0.916 | 71% | 0.709 | S | S | * | * | trans | -77.7 | 100 | 168.3 | -80.1 | -175 | 160.4 | 0 | 0 | 107.8 | D308 | E306-D308 PolarHBondContact O-N 3.36Š| ||
| 307 | D | 28.1 | Very low | 37.2 | Very low | 132 Ų | 132 | 122.5 Ų | 122.5 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | trans | -60.6 | 105 | 170.7 | -83.3 | -36.2 | 0 | 0 | 0 | 110.2 | E305 F309 | E305-D307 PolarHBondContact O-N 3.38Å; D307-F309 VanDerWaalsContact C-N 3.29Å; D307-F309 HydrophobicContact CB-CD2 4.24Å; D307-F309 HydrophobicContact CB-CE2 3.97Å; D307-F309 WeakPolarHBondContact O-CD2 3.44Å; D307-F309 PolarHBondContact O-N 2.98Å | ||
| 308 | D | 29.9 | Very low | 39 | Very low | 147 Ų | 147 | 119 Ų | 119 | 79% | 0.786 | 66% | 0.664 | S | S | * | * | trans | -71.7 | 76.6 | -178.1 | -153.3 | 11.8 | 0 | 0 | 0 | 110.5 | E306 Q310 | E306-D308 PolarHBondContact O-N 3.36Å; D308-Q310 PolarHBondContact O-N 2.96Å | ||
| 309 | F | 31.6 | Very low | 41.2 | Very low | 169 Ų | 169 | 118.1 Ų | 118.1 | 74% | 0.741 | 65% | 0.647 | S | S | * | * | trans | -64.8 | 97.9 | 171.4 | -77.4 | -86.8 | 0 | 0 | 0 | 109.5 | D307 L311 | D307-F309 VanDerWaalsContact C-N 3.29Å; D307-F309 HydrophobicContact CB-CD2 4.24Å; D307-F309 HydrophobicContact CB-CE2 3.97Å; D307-F309 WeakPolarHBondContact O-CD2 3.44Å; D307-F309 PolarHBondContact O-N 2.98Å; F309-L311 PolarHBondContact O-N 3.45Å | ||
| 310 | Q | 35.9 | Very low | 43.6 | Very low | 182 Ų | 182 | 111.6 Ų | 111.6 | 85% | 0.85 | 61% | 0.607 | S | S | * | * | trans | -59.4 | 99 | 173.3 | -75.8 | -174.5 | -7.7 | 0 | 0 | 111 | D308 D312 | D308-Q310 PolarHBondContact O-N 2.96Å; Q310-D312 PolarHBondContact O-N 3.18Å | ||
| 311 | L | 44.9 | Very low | 46.2 | Very low | 74 Ų | 74 | 106.4 Ų | 106.4 | 39% | 0.387 | 58% | 0.581 | S | S | . | * | trans | -65.5 | 118.1 | 169.1 | -91.9 | 98.6 | 0 | 0 | 0 | 110.4 | F309 E313 L539 | F309-L311 PolarHBondContact O-N 3.45Å; L311-E313 PolarHBondContact O-N 2.71Å; L311-L539 HydrophobicContact CD2-CD2 3.69Å | ||
| 312 | D | 54.4 | Low | 48.4 | Very low | 99 Ų | 99 | 103.8 Ų | 103.8 | 53% | 0.529 | 56% | 0.558 | S | S | . | * | trans | -73.3 | 106.1 | 177.6 | -173.3 | -3.1 | 0 | 0 | 0 | 111.5 | Q310 V314 F315 | Q310-D312 PolarHBondContact O-N 3.18Å; D312-V314 PolarHBondContact O-N 2.92Å; D312-V314 WeakPolarHBondContact OD1-CB 3.38Å; D312-V314 PolarHBondContact OD1-N 2.78Å; D312-V314 VanDerWaalsContact OD1-N 3.1Å; D312-F315 HydrophobicContact CB-CB 4.38Å; D312-F315 PolarHBondContact O-N 3Å | ||
| 313 | E | 53.4 | Low | 50.8 | Low | 72 Ų | 72 | 104.2 Ų | 104.2 | 34% | 0.336 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -56.1 | -31.5 | 178.7 | -175.8 | 176.5 | 177.6 | 0 | 0 | 112.2 | L311 F315 A317 W534 S536 | L311-E313 PolarHBondContact O-N 2.71Å; E313-F315 VanDerWaalsContact C-N 3.35Å; E313-F315 PolarHBondContact O-N 3.48Å; E313-A317 VanDerWaalsContact O-CB 3.28Å; E313-A317 WeakPolarHBondContact O-CB 3.11Å; E313-A317 PolarHBondContact O-N 3.19Å; E313-W534 HydrophobicContact CB-CD2 4.38Å; E313-W534 HydrophobicContact CB-CE3 4.41Å; E313-W534 HydrophobicContact CB-CH2 4.2Å; E313-W534 HydrophobicContact CB-CZ2 4.16Å; E313-W534 HydrophobicContact CB-CZ3 4.32Å; E313-W534 HydrophobicContact CG-CD2 3.81Å; E313-W534 HydrophobicContact CG-CE3 3.73Å; E313-W534 HydrophobicContact CG-CG 4.28Å; E313-W534 HydrophobicContact CG-CH2 4.39Å; E313-W534 HydrophobicContact CG-CZ2 4.46Å; E313-W534 HydrophobicContact CG-CZ3 4.04Å; E313-W534 WeakPolarHBondContact OE1-CB 3.44Å; E313-S536 WeakPolarHBondContact OE1-CB 3.36Å; E313-S536 PolarHBondContact OE1-OG 3.42Å |
| 314 | V | 56.1 | Low | 53.3 | Low | 101 Ų | 101 | 102 Ų | 102 | 61% | 0.612 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71.2 | -31.4 | -176.7 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | D312 | D312-V314 PolarHBondContact O-N 2.92Å; D312-V314 WeakPolarHBondContact OD1-CB 3.38Å; D312-V314 PolarHBondContact OD1-N 2.78Å; D312-V314 VanDerWaalsContact OD1-N 3.1Å |
| 315 | F | 61.9 | Low | 55.9 | Low | 108 Ų | 108 | 97 Ų | 97 | 47% | 0.474 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.5 | -45.2 | 179.4 | 178.9 | -98.9 | 0 | 0 | 0 | 111.6 | D312 E313 I584 | D312-F315 HydrophobicContact CB-CB 4.38Å; D312-F315 PolarHBondContact O-N 3Å; E313-F315 VanDerWaalsContact C-N 3.35Å; E313-F315 PolarHBondContact O-N 3.48Å; F315-I584 HydrophobicContact CE1-CD1 4.23Å; F315-I584 HydrophobicContact CZ-CD1 3.94Å |
| 316 | W | 60.9 | Low | 58.8 | Low | 59 Ų | 59 | 92.7 Ų | 92.7 | 22% | 0.223 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -78.9 | -27 | -176.4 | -68.6 | 98.6 | 0 | 0 | 0 | 113.5 | Q318 L539 I547 Y549 | W316-Q318 PolarHBondContact O-N 2.81Å; W316-Q318 VanDerWaalsContact O-N 3.12Å; W316-L539 HydrophobicContact CD2-CD1 4.33Å; W316-L539 HydrophobicContact CG-CD1 4.29Å; W316-I547 HydrophobicContact CH2-CB 4.04Å; W316-I547 HydrophobicContact CH2-CG2 4.08Å; W316-I547 HydrophobicContact CZ2-CB 4.48Å; W316-I547 HydrophobicContact CZ2-CG2 4.26Å; W316-I547 HydrophobicContact CZ3-CG2 4.36Å; W316-I547 VanDerWaalsContact CZ3-O 3.32Å; W316-I547 WeakPolarHBondContact CZ3-O 3.21Å; W316-Y549 HydrophobicContact CB-CD2 4.33Å; W316-Y549 HydrophobicContact CB-CG 4.24Å; W316-Y549 VanDerWaalsContact O-CD1 3.26Å; W316-Y549 WeakPolarHBondContact O-CD1 3.17Å |
| 317 | A | 62.8 | Low | 61.7 | Low | 32 Ų | 32 | 87.5 Ų | 87.5 | 26% | 0.264 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 12.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116 | E313 N319 Y549 | E313-A317 VanDerWaalsContact O-CB 3.28Å; E313-A317 WeakPolarHBondContact O-CB 3.11Å; E313-A317 PolarHBondContact O-N 3.19Å; A317-N319 PolarHBondContact O-N 3Å; A317-Y549 VanDerWaalsContact CA-CE1 3.48Å; A317-Y549 HydrophobicContact CB-CE1 3.95Å; A317-Y549 HydrophobicContact CB-CE2 4.43Å |
| 318 | Q | 63.5 | Low | 64.5 | Low | 124 Ų | 124 | 82.2 Ų | 82.2 | 58% | 0.579 | 44% | 0.435 | S | S | * | . | trans | -78.8 | 109.4 | -177.8 | -66.8 | -170.7 | 14 | 0 | 0 | 112.2 | W316 | W316-Q318 PolarHBondContact O-N 2.81Å; W316-Q318 VanDerWaalsContact O-N 3.12Å | ||
| 319 | N | 69.6 | Low | 67.5 | Low | 72 Ų | 72 | 75.2 Ų | 75.2 | 39% | 0.385 | 40% | 0.398 | S | S | . | . | trans | -72.9 | 153.4 | 170.4 | -70.1 | -31.7 | 0 | 0 | 0 | 111.3 | A317 T321 T324 | A317-N319 PolarHBondContact O-N 3Å; N319-T321 PolarHBondContact O-N 2.81Å; N319-T324 PolarHBondContact O-OG1 2.96Å | ||
| 320 | L | 77.9 | Confident | 70.4 | Confident | 6 Ų | 6 | 67.9 Ų | 67.9 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | trans | -62.5 | 127.1 | 171.4 | -168.5 | 69.2 | 0 | 0 | 0 | 109.6 | C325 M329 P348 G349 V351 F577 | L320-C325 HydrophobicContact CD1-CB 4.39Å; L320-M329 HydrophobicContact CD1-CE 3.62Å; L320-M329 HydrophobicContact CD1-SD 3.63Å; L320-M329 HydrophobicContact CD2-CE 3.76Å; L320-M329 HydrophobicContact CG-CE 4.33Å; L320-P348 HydrophobicContact CB-CB 4.45Å; L320-P348 HydrophobicContact CD2-CB 4.13Å; L320-P348 WeakPolarHBondContact CD2-O 3.41Å; L320-G349 VanDerWaalsContact O-CA 3.29Å; L320-G349 WeakPolarHBondContact O-CA 3.38Å; L320-V351 HydrophobicContact CD2-CG2 4.48Å; L320-V351 HydrophobicContact CG-CG2 4.26Å; L320-F577 HydrophobicContact CB-CD1 4.22Å; L320-F577 HydrophobicContact CB-CE1 3.8Å; L320-F577 HydrophobicContact CB-CZ 4.25Å; L320-F577 HydrophobicContact CD2-CD1 4.24Å | ||
| 321 | T | 78.1 | Confident | 73.2 | Confident | 54 Ų | 54 | 59.2 Ų | 59.2 | 33% | 0.331 | 33% | 0.326 | S | S | . | . | trans | -138.7 | 167.1 | -179.9 | 57.4 | 0 | 0 | 0 | 0 | 108.7 | N319 S323 T324 C325 | N319-T321 PolarHBondContact O-N 2.81Å; T321-S323 PolarHBondContact O-N 2.88Å; T321-S323 PolarHBondContact OG1-OG 3.24Å; T321-T324 PolarHBondContact N-OG1 2.87Å; T321-T324 PolarHBondContact O-N 3.15Å; T321-T324 PolarHBondContact O-OG1 3.45Å; T321-T324 PolarHBondContact OG1-N 3.14Å; T321-T324 PolarHBondContact OG1-OG1 2.89Å; T321-C325 WeakPolarHBondContact O-CB 3.26Å; T321-C325 PolarHBondContact O-N 2.83Å | ||
| 322 | N | 75.6 | Confident | 75.4 | Confident | 65 Ų | 65 | 55.8 Ų | 55.8 | 35% | 0.348 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20 | 179 | -135.5 | 21.6 | 0 | 0 | 0 | 113.3 | W413 | N322-W413 VanDerWaalsContact OD1-CD1 3.3Å; N322-W413 PolarHBondContact OD1-NE1 2.52Å |
| 323 | S | 74.5 | Confident | 77.2 | Confident | 110 Ų | 110 | 51 Ų | 51 | 77% | 0.769 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -25.8 | 176 | 43.2 | 0 | 0 | 0 | 0 | 114.3 | T321 | T321-S323 PolarHBondContact O-N 2.88Å; T321-S323 PolarHBondContact OG1-OG 3.24Å |
| 324 | T | 77.9 | Confident | 78.9 | Confident | 40 Ų | 40 | 47.6 Ų | 47.6 | 25% | 0.245 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -8.9 | 178.4 | 54.1 | 0 | 0 | 0 | 0 | 113.1 | N319 T321 | N319-T324 PolarHBondContact O-OG1 2.96Å; T321-T324 PolarHBondContact N-OG1 2.87Å; T321-T324 PolarHBondContact O-N 3.15Å; T321-T324 PolarHBondContact O-OG1 3.45Å; T321-T324 PolarHBondContact OG1-N 3.14Å; T321-T324 PolarHBondContact OG1-OG1 2.89Å |
| 325 | C | 83.2 | Confident | 80.4 | Confident | 6 Ų | 6 | 43 Ų | 43 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | trans | -72.5 | 133.5 | 176.4 | -163 | 0 | 0 | 0 | 0 | 110.7 | L320 T321 I396 W413 | L320-C325 HydrophobicContact CD1-CB 4.39Å; T321-C325 WeakPolarHBondContact O-CB 3.26Å; T321-C325 PolarHBondContact O-N 2.83Å; C325-I396 WeakPolarHBondContact SG-CD1 3.44Å; C325-W413 HydrophobicContact CB-CH2 4.36Å; C325-W413 HydrophobicContact CB-CZ2 3.64Å; C325-W413 WeakPolarHBondContact O-CH2 3.48Å; C325-W413 VanDerWaalsContact O-CZ2 3.31Å; C325-W413 WeakPolarHBondContact O-CZ2 3.39Å | ||
| 326 | E | 86.6 | Confident | 81.2 | Confident | 99 Ų | 99 | 40.8 Ų | 40.8 | 46% | 0.463 | 23% | 0.229 | S | C | . | . | trans | -133 | 154 | -175.3 | -69.3 | -175.8 | 170.6 | 0 | 0 | 112.1 | M329 M579 | E326-M329 VanDerWaalsContact O-CB 3.29Å; E326-M329 WeakPolarHBondContact O-CB 3.48Å; E326-M329 PolarHBondContact O-N 3.42Å; E326-M579 HydrophobicContact CG-CE 4.45Å | ||
| 327 | T | 88.8 | Confident | 81.8 | Confident | 86 Ų | 86 | 41.8 Ų | 41.8 | 53% | 0.528 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 135.6 | 177.4 | -29.6 | 0 | 0 | 0 | 0 | 111.1 | M329 T397 | T327-M329 VanDerWaalsContact C-N 3.35Å; T327-T397 VanDerWaalsContact CG2-C 3.41Å; T327-T397 WeakPolarHBondContact CG2-O 3.44Å |
| 328 | G | 88.1 | Confident | 82.1 | Confident | 21 Ų | 21 | 43.9 Ų | 43.9 | 22% | 0.216 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -10.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | I396 | G328-I396 PolarHBondContact N-O 2.86Š|
| 329 | M | 91.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -62.8 | 138.7 | 173.8 | -175.2 | -175.9 | 69 | 0 | 0 | 111 | L320 E326 T327 I396 F577 C578 M579 | L320-M329 HydrophobicContact CD1-CE 3.62Å; L320-M329 HydrophobicContact CD1-SD 3.63Å; L320-M329 HydrophobicContact CD2-CE 3.76Å; L320-M329 HydrophobicContact CG-CE 4.33Å; E326-M329 VanDerWaalsContact O-CB 3.29Å; E326-M329 WeakPolarHBondContact O-CB 3.48Å; E326-M329 PolarHBondContact O-N 3.42Å; T327-M329 VanDerWaalsContact C-N 3.35Å; M329-I396 HydrophobicContact CB-CD1 4.01Å; M329-I396 HydrophobicContact CE-CD1 3.17Å; M329-I396 PolarHBondContact O-N 3.41Å; M329-F577 HydrophobicContact SD-CB 4.3Å; M329-F577 HydrophobicContact SD-CD2 3.95Å; M329-F577 HydrophobicContact SD-CG 4.33Å; M329-C578 VanDerWaalsContact CG-O 3.26Å; M329-C578 WeakPolarHBondContact CG-O 3.41Å; M329-M579 HydrophobicContact CG-SD 4.15Å; M329-M579 HydrophobicContact SD-SD 3.62Å; M329-M579 VanDerWaalsContact SD-SD 3.62Å | ||
| 330 | L | 93.6 | Very high | 82 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 133.3 | 172.9 | -63.5 | 173 | 0 | 0 | 0 | 109 | V394 K395 V422 H425 M521 P522 F577 C578 | L330-V394 WeakPolarHBondContact CA-O 3.37Å; L330-K395 HydrophobicContact CD2-CB 3.75Å; L330-K395 HydrophobicContact CD2-CD 4.1Å; L330-K395 HydrophobicContact CD2-CG 3.9Å; L330-V422 HydrophobicContact CD2-CG1 4.39Å; L330-H425 VanDerWaalsContact CD1-CE1 3.42Å; L330-H425 WeakPolarHBondContact CD1-CE1 3.26Å; L330-M521 HydrophobicContact CD1-SD 3.78Å; L330-P522 HydrophobicContact CB-CG 3.84Å; L330-F577 CarbonylContact O-C 3.58Å; L330-F577 WeakPolarHBondContact O-CA 3.31Å; L330-F577 WeakPolarHBondContact O-CB 3.4Å; L330-C578 PolarHBondContact N-O 2.69Å; L330-C578 PolarHBondContact O-N 2.87Å |
| 331 | S | 93.7 | Very high | 81.5 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 147.7 | -179.9 | -168.6 | 0 | 0 | 0 | 0 | 111.8 | P348 V394 T576 | S331-P348 VanDerWaalsContact OG-CD 3.25Å; S331-P348 WeakPolarHBondContact OG-CD 3.37Å; S331-V394 PolarHBondContact N-O 2.87Å; S331-V394 WeakPolarHBondContact O-CG2 3.29Å; S331-V394 PolarHBondContact O-N 3.23Å; S331-T576 WeakPolarHBondContact CA-O 3.35Å; S331-T576 PolarHBondContact OG-O 3.32Å |
| 332 | I | 92 | Very high | 81.5 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 137.2 | 164.1 | -154.5 | 170.7 | 0 | 0 | 0 | 108.6 | P348 L391 I392 I479 P522 M574 T576 L669 | I332-P348 HydrophobicContact CG2-CG 4.24Å; I332-P348 WeakPolarHBondContact O-CD 3.48Å; I332-L391 HydrophobicContact CD1-CB 4.48Å; I332-L391 HydrophobicContact CD1-CD1 4.08Å; I332-L391 HydrophobicContact CD1-CD2 4.31Å; I332-L391 HydrophobicContact CG1-CD2 4.35Å; I332-I392 CarbonylContact C-O 3.56Å; I332-I392 WeakPolarHBondContact CA-O 3.27Å; I332-I479 HydrophobicContact CD1-CD1 4.33Å; I332-I479 HydrophobicContact CG1-CD1 4.24Å; I332-P522 HydrophobicContact CB-CB 4.25Å; I332-M574 HydrophobicContact CD1-SD 4.08Å; I332-T576 HydrophobicContact CG2-CG2 4.41Å; I332-T576 WeakPolarHBondContact CG2-O 3.09Å; I332-T576 PolarHBondContact N-O 3.34Å; I332-L669 HydrophobicContact CG2-CD1 4.13Å |
| 333 | A | 92.6 | Very high | 82 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 154.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V345 Q346 M347 L391 I392 V394 | A333-V345 HydrophobicContact CB-CB 4.14Å; A333-V345 HydrophobicContact CB-CG2 4.23Å; A333-Q346 CarbonylContact C-O 3.57Å; A333-Q346 VanDerWaalsContact CA-O 3.28Å; A333-Q346 WeakPolarHBondContact CA-O 3.46Å; A333-M347 HydrophobicContact CB-CG 3.95Å; A333-L391 WeakPolarHBondContact O-CA 3.13Å; A333-I392 HydrophobicContact CB-CG1 4.21Å; A333-I392 PolarHBondContact N-O 2.75Å; A333-I392 WeakPolarHBondContact O-CG1 3.25Å; A333-I392 PolarHBondContact O-N 3.19Å; A333-V394 HydrophobicContact CB-CG1 4.3Å; A333-V394 HydrophobicContact CB-CG2 3.74Å |
| 334 | S | 88.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 133.8 | 170.9 | 71.6 | 0 | 0 | 0 | 0 | 111.1 | Q336 V345 Q346 D390 L669 | S334-Q336 PolarHBondContact O-N 3.33Å; S334-V345 VanDerWaalsContact O-CA 3.28Å; S334-V345 WeakPolarHBondContact O-CA 3.04Å; S334-Q346 PolarHBondContact N-O 2.99Å; S334-Q346 PolarHBondContact O-N 2.69Å; S334-D390 WeakPolarHBondContact CA-O 3.41Å; S334-L669 VanDerWaalsContact CB-N 3.32Å; S334-L669 PolarHBondContact OG-N 2.85Å |
| 335 | I | 87.3 | Confident | 83.1 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.015 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 128 | 168 | -58.8 | -90.3 | 0 | 0 | 0 | 108.3 | F343 V345 F386 S389 D390 I392 | I335-F343 HydrophobicContact CD1-CB 4.05Å; I335-F343 HydrophobicContact CD1-CD1 4.35Å; I335-F343 HydrophobicContact CD1-CG 4.07Å; I335-F343 HydrophobicContact CG2-CD1 3.87Å; I335-F343 HydrophobicContact CG2-CE1 4.5Å; I335-F343 HydrophobicContact CG2-CG 4.47Å; I335-V345 HydrophobicContact CD1-CG1 4.31Å; I335-F386 HydrophobicContact CB-CB 4.4Å; I335-F386 HydrophobicContact CD1-CB 3.8Å; I335-F386 HydrophobicContact CD1-CD1 3.98Å; I335-F386 HydrophobicContact CD1-CD2 3.81Å; I335-F386 HydrophobicContact CD1-CE2 4.37Å; I335-F386 HydrophobicContact CD1-CG 3.59Å; I335-F386 HydrophobicContact CG1-CB 3.86Å; I335-F386 HydrophobicContact CG1-CD1 4.13Å; I335-F386 HydrophobicContact CG1-CG 3.99Å; I335-F386 HydrophobicContact CG2-CB 4.04Å; I335-S389 WeakPolarHBondContact O-CA 3.48Å; I335-S389 PolarHBondContact O-N 3.46Å; I335-D390 HydrophobicContact CG1-CB 4.21Å; I335-D390 PolarHBondContact N-O 3.46Å; I335-I392 HydrophobicContact CD1-CD1 4.05Å; I335-I392 HydrophobicContact CG1-CD1 4.42Å; I335-I392 HydrophobicContact CG1-CG2 4.31Å |
| 336 | Q | 79.6 | Confident | 83.4 | Confident | 62 Ų | 62 | 33.6 Ų | 33.6 | 29% | 0.29 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -60.2 | 173.5 | -67.3 | -151.9 | -26.5 | 0 | 0 | 111.6 | S334 S344 Q346 | S334-Q336 PolarHBondContact O-N 3.33Å; Q336-S344 WeakPolarHBondContact CB-O 3.1Å; Q336-S344 PolarHBondContact N-O 3.19Å; Q336-Q346 HydrophobicContact CG-CB 4.04Å |
| 337 | N | 72.8 | Confident | 83.6 | Confident | 81 Ų | 81 | 28.9 Ų | 28.9 | 43% | 0.433 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 151.8 | -173.3 | 46.8 | -38.9 | 0 | 0 | 0 | 110.7 | S344 | N337-S344 PolarHBondContact O-N 3.08Å |
| 338 | F | 69.8 | Low | 83.5 | Confident | 76 Ų | 76 | 24.9 Ų | 24.9 | 33% | 0.333 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 132.6 | 173.7 | -169.4 | -104.1 | 0 | 0 | 0 | 110.2 | G340 G342 F343 L382 | F338-G340 WeakPolarHBondContact CE1-O 3.15Å; F338-G340 WeakPolarHBondContact CZ-O 3.23Å; F338-G342 WeakPolarHBondContact CD2-O 3.39Å; F338-F343 HydrophobicContact CB-CD1 4.27Å; F338-F343 HydrophobicContact CB-CE1 4.15Å; F338-F343 HydrophobicContact CD2-CD1 4.12Å; F338-F343 HydrophobicContact CD2-CD2 4.41Å; F338-F343 AromaticContact CD2-CE1 3.84Å; F338-F343 HydrophobicContact CD2-CE1 3.84Å; F338-F343 HydrophobicContact CD2-CE2 4.13Å; F338-F343 HydrophobicContact CD2-CG 4.4Å; F338-F343 AromaticContact CD2-CZ 3.84Å; F338-F343 HydrophobicContact CD2-CZ 3.84Å; F338-F343 HydrophobicContact CE2-CE2 4.48Å; F338-F343 HydrophobicContact CE2-CZ 4.47Å; F338-F343 HydrophobicContact CG-CE1 4.48Å; F338-L382 HydrophobicContact CZ-CD1 4.47Å |
| 339 | I | 64.4 | Low | 83.1 | Confident | 64 Ų | 64 | 25.5 Ų | 25.5 | 33% | 0.328 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 110.8 | 178.9 | -54.3 | -172.7 | 0 | 0 | 0 | 108.8 | T341 G342 S344 | I339-T341 PolarHBondContact O-N 2.9Å; I339-T341 VanDerWaalsContact O-N 3.08Å; I339-G342 CarbonylContact C-O 3.48Å; I339-G342 PolarHBondContact N-O 3.29Å; I339-G342 PolarHBondContact O-N 3.41Å; I339-G342 VanDerWaalsContact O-O 3.12Å; I339-S344 VanDerWaalsContact CD1-CB 3.47Å |
| 340 | G | 66.4 | Low | 82.4 | Confident | 65 Ų | 65 | 31 Ų | 31 | 67% | 0.67 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64 | -108.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F338 | F338-G340 WeakPolarHBondContact CE1-O 3.15Å; F338-G340 WeakPolarHBondContact CZ-O 3.23Å |
| 341 | T | 67.5 | Low | 81.9 | Confident | 111 Ų | 111 | 30.5 Ų | 30.5 | 68% | 0.681 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | 20.7 | -177 | 55 | 0 | 0 | 0 | 0 | 113.3 | I339 I357 | I339-T341 PolarHBondContact O-N 2.9Å; I339-T341 VanDerWaalsContact O-N 3.08Å; T341-I357 VanDerWaalsContact O-CB 3.26Å; T341-I357 WeakPolarHBondContact O-CB 3.45Å; T341-I357 WeakPolarHBondContact O-CG2 3.49Å; T341-I357 PolarHBondContact O-N 2.71Å |
| 342 | G | 78.4 | Confident | 81.5 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.2 | -176.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F338 I339 L355 | F338-G342 WeakPolarHBondContact CD2-O 3.39Å; I339-G342 CarbonylContact C-O 3.48Å; I339-G342 PolarHBondContact N-O 3.29Å; I339-G342 PolarHBondContact O-N 3.41Å; I339-G342 VanDerWaalsContact O-O 3.12Å; G342-L355 CarbonylContact C-O 3.46Å; G342-L355 WeakPolarHBondContact CA-O 3.27Å |
| 343 | F | 85.7 | Confident | 81.4 | Confident | 6 Ų | 6 | 35.6 Ų | 35.6 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 132.9 | 177.7 | -67.3 | -86.1 | 0 | 0 | 0 | 111.3 | I335 F338 V345 V354 L355 I360 F386 | I335-F343 HydrophobicContact CD1-CB 4.05Å; I335-F343 HydrophobicContact CD1-CD1 4.35Å; I335-F343 HydrophobicContact CD1-CG 4.07Å; I335-F343 HydrophobicContact CG2-CD1 3.87Å; I335-F343 HydrophobicContact CG2-CE1 4.5Å; I335-F343 HydrophobicContact CG2-CG 4.47Å; F338-F343 HydrophobicContact CB-CD1 4.27Å; F338-F343 HydrophobicContact CB-CE1 4.15Å; F338-F343 HydrophobicContact CD2-CD1 4.12Å; F338-F343 HydrophobicContact CD2-CD2 4.41Å; F338-F343 AromaticContact CD2-CE1 3.84Å; F338-F343 HydrophobicContact CD2-CE1 3.84Å; F338-F343 HydrophobicContact CD2-CE2 4.13Å; F338-F343 HydrophobicContact CD2-CG 4.4Å; F338-F343 AromaticContact CD2-CZ 3.84Å; F338-F343 HydrophobicContact CD2-CZ 3.84Å; F338-F343 HydrophobicContact CE2-CE2 4.48Å; F338-F343 HydrophobicContact CE2-CZ 4.47Å; F338-F343 HydrophobicContact CG-CE1 4.48Å; F343-V345 HydrophobicContact CB-CG1 4.39Å; F343-V354 CarbonylContact O-C 3.51Å; F343-V354 WeakPolarHBondContact O-CA 3.14Å; F343-L355 HydrophobicContact CB-CB 4.48Å; F343-L355 PolarHBondContact N-O 3.41Å; F343-L355 PolarHBondContact O-N 3.47Å; F343-I360 HydrophobicContact CD2-CD1 3.87Å; F343-I360 HydrophobicContact CE2-CD1 3.79Å; F343-F386 HydrophobicContact CD2-CD2 4.19Å; F343-F386 HydrophobicContact CE1-CD2 4.48Å; F343-F386 AromaticContact CE2-CD2 3.78Å; F343-F386 HydrophobicContact CE2-CD2 3.78Å; F343-F386 HydrophobicContact CE2-CE2 4.27Å; F343-F386 AromaticContact CZ-CD2 3.94Å; F343-F386 HydrophobicContact CZ-CD2 3.94Å |
| 344 | S | 85.8 | Confident | 81.2 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 128.1 | 163.8 | -179 | 0 | 0 | 0 | 0 | 108.9 | Q336 N337 I339 | Q336-S344 WeakPolarHBondContact CB-O 3.1Å; Q336-S344 PolarHBondContact N-O 3.19Å; N337-S344 PolarHBondContact O-N 3.08Å; I339-S344 VanDerWaalsContact CD1-CB 3.47Å |
| 345 | V | 90 | Very high | 81.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 147.9 | -178.9 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | A333 S334 I335 F343 A353 L355 I392 V415 | A333-V345 HydrophobicContact CB-CB 4.14Å; A333-V345 HydrophobicContact CB-CG2 4.23Å; S334-V345 VanDerWaalsContact O-CA 3.28Å; S334-V345 WeakPolarHBondContact O-CA 3.04Å; I335-V345 HydrophobicContact CD1-CG1 4.31Å; F343-V345 HydrophobicContact CB-CG1 4.39Å; V345-A353 HydrophobicContact CG2-CB 3.76Å; V345-A353 PolarHBondContact N-O 3.03Å; V345-A353 PolarHBondContact O-N 3.37Å; V345-L355 HydrophobicContact CG1-CB 4.13Å; V345-I392 HydrophobicContact CG1-CD1 4.07Å; V345-V415 HydrophobicContact CG2-CG2 3.79Å |
| 346 | Q | 88.2 | Confident | 81.4 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 5% | 0.051 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.2 | 178.9 | -175 | -175 | 15.7 | 0 | 0 | 110.3 | A333 S334 Q336 S667 | A333-Q346 CarbonylContact C-O 3.57Å; A333-Q346 VanDerWaalsContact CA-O 3.28Å; A333-Q346 WeakPolarHBondContact CA-O 3.46Å; S334-Q346 PolarHBondContact N-O 2.99Å; S334-Q346 PolarHBondContact O-N 2.69Å; Q336-Q346 HydrophobicContact CG-CB 4.04Å; Q346-S667 VanDerWaalsContact CD-OG 3.28Å; Q346-S667 PolarHBondContact NE2-OG 2.65Å; Q346-S667 PolarHBondContact OE1-OG 3.23Å |
| 347 | M | 91.3 | Very high | 81.5 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 166.4 | 174.7 | -67.9 | -174.5 | -55.5 | 0 | 0 | 111.3 | A333 K350 V351 A353 V394 I396 W413 V415 | A333-M347 HydrophobicContact CB-CG 3.95Å; M347-K350 PolarHBondContact O-N 3.35Å; M347-V351 HydrophobicContact CB-CB 4.23Å; M347-V351 HydrophobicContact CE-CB 3.98Å; M347-V351 HydrophobicContact CE-CG1 3.45Å; M347-V351 VanDerWaalsContact CE-CG1 3.45Å; M347-V351 PolarHBondContact N-O 3.26Å; M347-V351 PolarHBondContact O-N 2.97Å; M347-A353 HydrophobicContact CE-CB 3.98Å; M347-A353 HydrophobicContact SD-CB 4.46Å; M347-V394 HydrophobicContact SD-CG2 4.23Å; M347-I396 HydrophobicContact CE-CD1 3.98Å; M347-I396 HydrophobicContact CE-CG1 4.25Å; M347-I396 HydrophobicContact SD-CD1 3.9Å; M347-I396 HydrophobicContact SD-CG1 4.02Å; M347-W413 HydrophobicContact CE-CB 4.46Å; M347-V415 HydrophobicContact SD-CG1 4.31Å |
| 348 | P | 85.9 | Confident | 81.9 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -47.4 | 146.8 | 173.5 | -30.3 | 33.7 | 0 | 0 | 0 | 113.1 | L320 S331 I332 K350 F577 L669 Y670 | L320-P348 HydrophobicContact CB-CB 4.45Å; L320-P348 HydrophobicContact CD2-CB 4.13Å; L320-P348 WeakPolarHBondContact CD2-O 3.41Å; S331-P348 VanDerWaalsContact OG-CD 3.25Å; S331-P348 WeakPolarHBondContact OG-CD 3.37Å; I332-P348 HydrophobicContact CG2-CG 4.24Å; I332-P348 WeakPolarHBondContact O-CD 3.48Å; P348-K350 PolarHBondContact O-N 3.47Å; P348-F577 HydrophobicContact CB-CD1 4.3Å; P348-F577 HydrophobicContact CG-CD1 4.44Å; P348-L669 HydrophobicContact CG-CD2 4.17Å; P348-Y670 WeakPolarHBondContact CA-OH 3.25Å |
| 349 | G | 80.2 | Confident | 82.7 | Confident | 34 Ų | 34 | 35.8 Ų | 35.8 | 35% | 0.351 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | 67.9 | 17 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L320 V351 | L320-G349 VanDerWaalsContact O-CA 3.29Å; L320-G349 WeakPolarHBondContact O-CA 3.38Å; G349-V351 VanDerWaalsContact C-N 3.29Å; G349-V351 PolarHBondContact O-N 3.21Å |
| 350 | K | 76.5 | Confident | 83.9 | Confident | 116 Ų | 116 | 32.8 Ų | 32.8 | 50% | 0.504 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | 66.8 | 27.7 | 176.4 | -50.1 | 173.8 | -179.9 | 177.3 | 0 | 113.2 | M347 P348 | M347-K350 PolarHBondContact O-N 3.35Å; P348-K350 PolarHBondContact O-N 3.47Å |
| 351 | V | 83.6 | Confident | 85.1 | Confident | 5 Ų | 5 | 29.7 Ų | 29.7 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 127.3 | 172.4 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | L320 M347 G349 W413 | L320-V351 HydrophobicContact CD2-CG2 4.48Å; L320-V351 HydrophobicContact CG-CG2 4.26Å; M347-V351 HydrophobicContact CB-CB 4.23Å; M347-V351 HydrophobicContact CE-CB 3.98Å; M347-V351 HydrophobicContact CE-CG1 3.45Å; M347-V351 VanDerWaalsContact CE-CG1 3.45Å; M347-V351 PolarHBondContact N-O 3.26Å; M347-V351 PolarHBondContact O-N 2.97Å; G349-V351 VanDerWaalsContact C-N 3.29Å; G349-V351 PolarHBondContact O-N 3.21Å; V351-W413 VanDerWaalsContact CG1-CD1 3.46Å; V351-W413 HydrophobicContact CG1-CG 4.5Å |
| 352 | R | 84.5 | Confident | 85.9 | Confident | 109 Ų | 109 | 25.6 Ų | 25.6 | 41% | 0.411 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 132.5 | 179.7 | -173 | -177.5 | -177.7 | -158.2 | -1 | 110.1 | D410 W413 | R352-D410 IonicContact NH1-OD2 3.46Å; R352-W413 PolarHBondContact O-N 3.43Å |
| 353 | A | 90.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 165.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V345 M347 W413 V415 | V345-A353 HydrophobicContact CG2-CB 3.76Å; V345-A353 PolarHBondContact N-O 3.03Å; V345-A353 PolarHBondContact O-N 3.37Å; M347-A353 HydrophobicContact CE-CB 3.98Å; M347-A353 HydrophobicContact SD-CB 4.46Å; A353-W413 CarbonylContact C-O 3.44Å; A353-W413 WeakPolarHBondContact CA-O 3.3Å; A353-W413 HydrophobicContact CB-CB 3.85Å; A353-W413 WeakPolarHBondContact CB-O 3.39Å; A353-V415 HydrophobicContact CB-CG1 3.66Å; A353-V415 HydrophobicContact CB-CG2 4.08Å |
| 354 | V | 89.6 | Confident | 86 | Confident | 27 Ų | 27 | 26.7 Ų | 26.7 | 16% | 0.164 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131 | 176.4 | 177 | 0 | 0 | 0 | 0 | 108.3 | F343 P356 H412 W413 V415 | F343-V354 CarbonylContact O-C 3.51Å; F343-V354 WeakPolarHBondContact O-CA 3.14Å; V354-P356 WeakPolarHBondContact O-CD 3.29Å; V354-H412 WeakPolarHBondContact CG2-CD2 3.34Å; V354-W413 PolarHBondContact N-O 2.83Å; V354-V415 WeakPolarHBondContact O-CG2 3.33Å; V354-V415 PolarHBondContact O-N 2.96Å |
| 355 | L | 91.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 99.8 | 175.8 | 176.5 | 62.2 | 0 | 0 | 0 | 108.8 | G342 F343 V345 I360 I392 V415 | G342-L355 CarbonylContact C-O 3.46Å; G342-L355 WeakPolarHBondContact CA-O 3.27Å; F343-L355 HydrophobicContact CB-CB 4.48Å; F343-L355 PolarHBondContact N-O 3.41Å; F343-L355 PolarHBondContact O-N 3.47Å; V345-L355 HydrophobicContact CG1-CB 4.13Å; L355-I360 HydrophobicContact CD1-CG1 4.43Å; L355-I360 HydrophobicContact CD2-CG1 4.03Å; L355-I360 HydrophobicContact CG-CG1 3.94Å; L355-I392 HydrophobicContact CD2-CD1 3.67Å; L355-V415 HydrophobicContact CB-CG2 3.95Å; L355-V415 HydrophobicContact CD1-CG2 4.32Å; L355-V415 WeakPolarHBondContact CD1-O 3.37Å |
| 356 | P | 88.1 | Confident | 84.9 | Confident | 34 Ų | 34 | 32.1 Ų | 32.1 | 22% | 0.221 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 147.5 | 177.9 | -20.1 | 32.5 | 0 | 0 | 0 | 111.9 | V354 C358 S359 I360 V415 | V354-P356 WeakPolarHBondContact O-CD 3.29Å; P356-C358 VanDerWaalsContact C-N 3.29Å; P356-C358 PolarHBondContact O-N 3.02Å; P356-S359 WeakPolarHBondContact O-CA 3.3Å; P356-S359 WeakPolarHBondContact O-CB 3.23Å; P356-S359 PolarHBondContact O-N 3.37Å; P356-I360 PolarHBondContact O-N 3.12Å; P356-V415 WeakPolarHBondContact CD-O 3.5Å |
| 357 | I | 81 | Confident | 83.9 | Confident | 38 Ų | 38 | 34.3 Ų | 34.3 | 20% | 0.195 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -55.3 | -41.5 | -177.7 | -164 | 173 | 0 | 0 | 0 | 113 | T341 S359 I360 L364 L382 | T341-I357 VanDerWaalsContact O-CB 3.26Å; T341-I357 WeakPolarHBondContact O-CB 3.45Å; T341-I357 WeakPolarHBondContact O-CG2 3.49Å; T341-I357 PolarHBondContact O-N 2.71Å; I357-S359 PolarHBondContact O-N 3.43Å; I357-I360 HydrophobicContact CB-CD1 4.5Å; I357-I360 HydrophobicContact CG1-CD1 4.27Å; I357-I360 WeakPolarHBondContact O-CB 3.42Å; I357-I360 WeakPolarHBondContact O-CG1 3.22Å; I357-I360 PolarHBondContact O-N 3.19Å; I357-L364 HydrophobicContact CG1-CD2 4.24Å; I357-L382 HydrophobicContact CD1-CD1 3.72Å; I357-L382 HydrophobicContact CD1-CD2 3.32Å; I357-L382 HydrophobicContact CD1-CG 4.13Å; I357-L382 HydrophobicContact CG1-CD2 3.93Å |
| 358 | C | 80.5 | Confident | 82.6 | Confident | 91 Ų | 91 | 36.5 Ų | 36.5 | 62% | 0.615 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -69.7 | -18.2 | 179.9 | -41.9 | 0 | 0 | 0 | 0 | 112.9 | P356 | P356-C358 VanDerWaalsContact C-N 3.29Å; P356-C358 PolarHBondContact O-N 3.02Å |
| 359 | S | 88 | Confident | 81.1 | Confident | 36 Ų | 36 | 43.9 Ų | 43.9 | 25% | 0.252 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -101 | 7.5 | -177.8 | -57.2 | 0 | 0 | 0 | 0 | 112.7 | P356 I357 S416 S417 D418 | P356-S359 WeakPolarHBondContact O-CA 3.3Å; P356-S359 WeakPolarHBondContact O-CB 3.23Å; P356-S359 PolarHBondContact O-N 3.37Å; I357-S359 PolarHBondContact O-N 3.43Å; S359-S416 WeakPolarHBondContact O-CA 3.46Å; S359-S416 PolarHBondContact O-OG 3.37Å; S359-S417 PolarHBondContact O-N 3.08Å; S359-S417 VanDerWaalsContact O-N 3.09Å; S359-D418 PolarHBondContact O-N 2.94Å |
| 360 | I | 88.8 | Confident | 79.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -60.2 | 179.1 | -65.8 | 172.2 | 0 | 0 | 0 | 110.2 | F343 L355 P356 I357 L364 F386 S417 D418 V477 | F343-I360 HydrophobicContact CD2-CD1 3.87Å; F343-I360 HydrophobicContact CE2-CD1 3.79Å; L355-I360 HydrophobicContact CD1-CG1 4.43Å; L355-I360 HydrophobicContact CD2-CG1 4.03Å; L355-I360 HydrophobicContact CG-CG1 3.94Å; P356-I360 PolarHBondContact O-N 3.12Å; I357-I360 HydrophobicContact CB-CD1 4.5Å; I357-I360 HydrophobicContact CG1-CD1 4.27Å; I357-I360 WeakPolarHBondContact O-CB 3.42Å; I357-I360 WeakPolarHBondContact O-CG1 3.22Å; I357-I360 PolarHBondContact O-N 3.19Å; I360-L364 HydrophobicContact CB-CD2 3.97Å; I360-L364 HydrophobicContact CD1-CD2 3.82Å; I360-L364 HydrophobicContact CG1-CD2 4.46Å; I360-L364 HydrophobicContact CG2-CD2 4Å; I360-F386 HydrophobicContact CD1-CE2 4.27Å; I360-F386 HydrophobicContact CG2-CE2 3.86Å; I360-F386 HydrophobicContact CG2-CZ 3.93Å; I360-S417 VanDerWaalsContact CA-OG 3.31Å; I360-S417 WeakPolarHBondContact CA-OG 3.18Å; I360-S417 CarbonylContact O-C 3.49Å; I360-S417 VanDerWaalsContact O-C 3.23Å; I360-S417 PolarHBondContact O-OG 3Å; I360-D418 WeakPolarHBondContact O-CA 3.49Å; I360-D418 PolarHBondContact O-N 3.01Å; I360-V477 HydrophobicContact CG2-CG2 3.99Å; I360-V477 VanDerWaalsContact O-CG2 3.26Å; I360-V477 WeakPolarHBondContact O-CG2 3.28Å |
| 361 | S | 90.4 | Very high | 78 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -161.3 | 151.8 | 179.3 | 70.2 | 0 | 0 | 0 | 0 | 112.1 | L364 A365 G475 | S361-L364 PolarHBondContact O-N 3.17Å; S361-L364 WeakPolarHBondContact OG-CB 3.34Å; S361-L364 PolarHBondContact OG-N 2.69Å; S361-A365 PolarHBondContact O-N 2.97Å; S361-G475 WeakPolarHBondContact OG-CA 3.4Å; S361-G475 PolarHBondContact OG-O 2.82Å | ||
| 362 | G | 85.5 | Confident | 76 | Confident | 26 Ų | 26 | 51.1 Ų | 51.1 | 27% | 0.268 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56.2 | -45.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L364 A365 T366 | G362-L364 VanDerWaalsContact C-N 3.34Å; G362-L364 PolarHBondContact O-N 3.37Å; G362-A365 PolarHBondContact O-N 3.44Å; G362-T366 PolarHBondContact O-N 3.15Å; G362-T366 PolarHBondContact O-OG1 3.18Å |
| 363 | P | 84.5 | Confident | 73.9 | Confident | 16 Ų | 16 | 49.2 Ų | 49.2 | 10% | 0.104 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.2 | -38.1 | 176.3 | -25.1 | 34.3 | 0 | 0 | 0 | 113.6 | T366 T367 R442 V474 | P363-T366 PolarHBondContact O-N 2.91Å; P363-T367 PolarHBondContact O-N 2.91Å; P363-T367 PolarHBondContact O-OG1 3.07Å; P363-R442 HydrophobicContact CG-CB 4.41Å; P363-V474 HydrophobicContact CB-CG1 4.23Å |
| 364 | L | 81.4 | Confident | 71 | Confident | 13 Ų | 13 | 55.6 Ų | 55.6 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.7 | -43.8 | 176.6 | -172.8 | 65.8 | 0 | 0 | 0 | 111.4 | I357 I360 S361 G362 T366 T367 A368 L385 | I357-L364 HydrophobicContact CG1-CD2 4.24Å; I360-L364 HydrophobicContact CB-CD2 3.97Å; I360-L364 HydrophobicContact CD1-CD2 3.82Å; I360-L364 HydrophobicContact CG1-CD2 4.46Å; I360-L364 HydrophobicContact CG2-CD2 4Å; S361-L364 PolarHBondContact O-N 3.17Å; S361-L364 WeakPolarHBondContact OG-CB 3.34Å; S361-L364 PolarHBondContact OG-N 2.69Å; G362-L364 VanDerWaalsContact C-N 3.34Å; G362-L364 PolarHBondContact O-N 3.37Å; L364-T366 PolarHBondContact O-N 3.19Å; L364-T367 PolarHBondContact O-N 3.44Å; L364-T367 VanDerWaalsContact O-N 3.11Å; L364-A368 WeakPolarHBondContact O-CB 3.5Å; L364-A368 PolarHBondContact O-N 2.85Å; L364-L385 HydrophobicContact CD1-CD1 3.82Å; L364-L385 HydrophobicContact CD2-CD1 3.79Å; L364-L385 HydrophobicContact CG-CD1 4.49Å |
| 365 | A | 78.5 | Confident | 68.4 | Low | 26 Ų | 26 | 59.6 Ų | 59.6 | 22% | 0.215 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.9 | -38.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S361 G362 Q369 | S361-A365 PolarHBondContact O-N 2.97Å; G362-A365 PolarHBondContact O-N 3.44Å; A365-Q369 VanDerWaalsContact O-CG 3.25Å; A365-Q369 WeakPolarHBondContact O-CG 3.23Å; A365-Q369 PolarHBondContact O-N 2.85Å; A365-Q369 VanDerWaalsContact O-N 3.13Å |
| 366 | T | 75.2 | Confident | 66 | Low | 91 Ų | 91 | 66.6 Ų | 66.6 | 56% | 0.558 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -69.4 | -39 | 176.3 | -45 | 0 | 0 | 0 | 0 | 111.8 | G362 P363 L364 S370 | G362-T366 PolarHBondContact O-N 3.15Å; G362-T366 PolarHBondContact O-OG1 3.18Å; P363-T366 PolarHBondContact O-N 2.91Å; L364-T366 PolarHBondContact O-N 3.19Å; T366-S370 PolarHBondContact O-N 3.18Å |
| 367 | T | 66.6 | Low | 63.6 | Low | 57 Ų | 57 | 71.3 Ų | 71.3 | 35% | 0.35 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.8 | -44.4 | 177 | -47 | 0 | 0 | 0 | 0 | 111.2 | P363 L364 Q369 S370 V371 | P363-T367 PolarHBondContact O-N 2.91Å; P363-T367 PolarHBondContact O-OG1 3.07Å; L364-T367 PolarHBondContact O-N 3.44Å; L364-T367 VanDerWaalsContact O-N 3.11Å; T367-Q369 VanDerWaalsContact C-N 3.31Å; T367-Q369 PolarHBondContact O-N 3.34Å; T367-S370 WeakPolarHBondContact O-CA 3.44Å; T367-S370 WeakPolarHBondContact O-CB 3.36Å; T367-S370 PolarHBondContact O-N 3.3Å; T367-S370 PolarHBondContact O-OG 3.12Å; T367-V371 HydrophobicContact CG2-CG2 4.16Å; T367-V371 VanDerWaalsContact O-CG2 3.31Å; T367-V371 WeakPolarHBondContact O-CG2 3.33Å; T367-V371 PolarHBondContact O-N 3.48Å |
| 368 | A | 62.8 | Low | 61.6 | Low | 46 Ų | 46 | 70.8 Ų | 70.8 | 38% | 0.38 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57 | -44.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L364 S370 V371 | L364-A368 WeakPolarHBondContact O-CB 3.5Å; L364-A368 PolarHBondContact O-N 2.85Å; A368-S370 PolarHBondContact O-N 3.46Å; A368-S370 VanDerWaalsContact O-N 3.08Å; A368-V371 PolarHBondContact O-N 3.45Å |
| 369 | Q | 55.6 | Low | 59.6 | Low | 157 Ų | 157 | 70.8 Ų | 70.8 | 73% | 0.734 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -12.6 | 173.8 | -73.2 | 174.2 | 4.4 | 0 | 0 | 114.6 | A365 T367 | A365-Q369 VanDerWaalsContact O-CG 3.25Å; A365-Q369 WeakPolarHBondContact O-CG 3.23Å; A365-Q369 PolarHBondContact O-N 2.85Å; A365-Q369 VanDerWaalsContact O-N 3.13Å; T367-Q369 VanDerWaalsContact C-N 3.31Å; T367-Q369 PolarHBondContact O-N 3.34Å |
| 370 | S | 48.5 | Very low | 57.5 | Low | 89 Ų | 89 | 72 Ų | 72 | 62% | 0.622 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -12.5 | -178.9 | 75.8 | 0 | 0 | 0 | 0 | 114.5 | T366 T367 A368 | T366-S370 PolarHBondContact O-N 3.18Å; T367-S370 WeakPolarHBondContact O-CA 3.44Å; T367-S370 WeakPolarHBondContact O-CB 3.36Å; T367-S370 PolarHBondContact O-N 3.3Å; T367-S370 PolarHBondContact O-OG 3.12Å; A368-S370 PolarHBondContact O-N 3.46Å; A368-S370 VanDerWaalsContact O-N 3.08Å |
| 371 | V | 42.9 | Very low | 55.8 | Low | 60 Ų | 60 | 76.2 Ų | 76.2 | 36% | 0.364 | 46% | 0.458 | S | S | . | . | trans | -100.9 | 5 | -170.6 | 175.1 | 0 | 0 | 0 | 0 | 113.1 | T367 A368 G373 | T367-V371 HydrophobicContact CG2-CG2 4.16Å; T367-V371 VanDerWaalsContact O-CG2 3.31Å; T367-V371 WeakPolarHBondContact O-CG2 3.33Å; T367-V371 PolarHBondContact O-N 3.48Å; A368-V371 PolarHBondContact O-N 3.45Å; V371-G373 PolarHBondContact O-N 2.92Å | ||
| 372 | D | 40.8 | Very low | 54.5 | Low | 157 Ų | 157 | 77.6 Ų | 77.6 | 84% | 0.84 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 40.1 | 176.9 | -74.8 | -27.7 | 0 | 0 | 0 | 115.2 | ||
| 373 | G | 40.9 | Very low | 53.4 | Low | 70 Ų | 70 | 81.7 Ų | 81.7 | 72% | 0.722 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -160.3 | 12.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | V371 | V371-G373 PolarHBondContact O-N 2.92Š|
| 374 | I | 28.8 | Very low | 52.6 | Low | 134 Ų | 134 | 86.6 Ų | 86.6 | 69% | 0.687 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -136.4 | 124 | 175.1 | -55.8 | 178.6 | 0 | 0 | 0 | 111.2 | ||
| 375 | D | 36 | Very low | 52.4 | Low | 111 Ų | 111 | 86 Ų | 86 | 59% | 0.594 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -41.3 | 136.2 | 179.6 | -65.1 | -45.3 | 0 | 0 | 0 | 115.3 | E377 | D375-E377 PolarHBondContact O-N 2.63Š|
| 376 | N | 41.9 | Very low | 52.4 | Low | 146 Ų | 146 | 85.1 Ų | 85.1 | 78% | 0.781 | 50% | 0.495 | S | S | * | . | S | Bend | trans | 43.1 | -5.5 | 157.9 | -74.1 | -14.8 | 0 | 0 | 0 | 121.5 | T379 | N376-T379 PolarHBondContact O-OG1 2.9Å; N376-T379 VanDerWaalsContact O-OG1 3.06Å |
| 377 | E | 36.3 | Very low | 52.3 | Low | 134 Ų | 134 | 86.3 Ų | 86.3 | 63% | 0.626 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -79.5 | -19.9 | 172.3 | -72.3 | -172.5 | 166.9 | 0 | 0 | 111.8 | D375 T379 S380 I381 | D375-E377 PolarHBondContact O-N 2.63Å; E377-T379 VanDerWaalsContact C-N 3.32Å; E377-T379 PolarHBondContact O-N 3.49Å; E377-S380 PolarHBondContact O-N 2.74Å; E377-S380 PolarHBondContact O-OG 3.21Å; E377-I381 WeakPolarHBondContact O-CG1 3.31Å; E377-I381 PolarHBondContact O-N 2.85Å; E377-I381 VanDerWaalsContact O-N 3.14Å |
| 378 | G | 39.8 | Very low | 52.6 | Low | 26 Ų | 26 | 88.2 Ų | 88.2 | 27% | 0.268 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.3 | -37.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I381 L382 | G378-I381 PolarHBondContact O-N 3.4Å; G378-L382 PolarHBondContact O-N 2.79Å |
| 379 | T | 39 | Very low | 53.2 | Low | 92 Ų | 92 | 86.9 Ų | 86.9 | 56% | 0.564 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.8 | -36.8 | 176.7 | 29.7 | 0 | 0 | 0 | 0 | 112.6 | N376 E377 L382 D383 | N376-T379 PolarHBondContact O-OG1 2.9Å; N376-T379 VanDerWaalsContact O-OG1 3.06Å; E377-T379 VanDerWaalsContact C-N 3.32Å; E377-T379 PolarHBondContact O-N 3.49Å; T379-L382 PolarHBondContact O-N 2.6Å; T379-D383 PolarHBondContact O-N 3.19Å |
| 380 | S | 42.9 | Very low | 54.5 | Low | 60 Ų | 60 | 81.4 Ų | 81.4 | 42% | 0.42 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -72 | -29.6 | 176.9 | 50.3 | 0 | 0 | 0 | 0 | 112.3 | E377 L382 N384 | E377-S380 PolarHBondContact O-N 2.74Å; E377-S380 PolarHBondContact O-OG 3.21Å; S380-L382 VanDerWaalsContact C-N 3.31Å; S380-L382 PolarHBondContact O-N 3.05Å; S380-N384 WeakPolarHBondContact O-CB 3.2Å; S380-N384 PolarHBondContact O-N 3.38Å; S380-N384 PolarHBondContact O-ND2 3.03Å |
| 381 | I | 54.6 | Low | 56.3 | Low | 89 Ų | 89 | 78.8 Ų | 78.8 | 46% | 0.456 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.9 | -36.5 | 172.8 | -63.2 | 164.7 | 0 | 0 | 0 | 111.1 | E377 G378 N384 L385 | E377-I381 WeakPolarHBondContact O-CG1 3.31Å; E377-I381 PolarHBondContact O-N 2.85Å; E377-I381 VanDerWaalsContact O-N 3.14Å; G378-I381 PolarHBondContact O-N 3.4Å; I381-N384 PolarHBondContact O-N 3.23Å; I381-L385 PolarHBondContact O-N 3.26Å |
| 382 | L | 62 | Low | 58.6 | Low | 30 Ų | 30 | 76 Ų | 76 | 16% | 0.157 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -73.6 | -43.3 | -176.5 | -80.8 | 162.5 | 0 | 0 | 0 | 113.9 | F338 I357 G378 T379 S380 N384 L385 | F338-L382 HydrophobicContact CZ-CD1 4.47Å; I357-L382 HydrophobicContact CD1-CD1 3.72Å; I357-L382 HydrophobicContact CD1-CD2 3.32Å; I357-L382 HydrophobicContact CD1-CG 4.13Å; I357-L382 HydrophobicContact CG1-CD2 3.93Å; G378-L382 PolarHBondContact O-N 2.79Å; T379-L382 PolarHBondContact O-N 2.6Å; S380-L382 VanDerWaalsContact C-N 3.31Å; S380-L382 PolarHBondContact O-N 3.05Å; L382-N384 PolarHBondContact O-N 3.27Å; L382-L385 HydrophobicContact CD2-CD1 3.89Å; L382-L385 PolarHBondContact O-N 2.92Å |
| 383 | D | 63.6 | Low | 61.1 | Low | 111 Ų | 111 | 68.7 Ų | 68.7 | 59% | 0.594 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.3 | -22 | 175.5 | -78.2 | -20.9 | 0 | 0 | 0 | 112.2 | T379 | T379-D383 PolarHBondContact O-N 3.19Å |
| 384 | N | 67.3 | Low | 63.7 | Low | 119 Ų | 119 | 65.3 Ų | 65.3 | 64% | 0.636 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -11.9 | 179.2 | -71.3 | -25.5 | 0 | 0 | 0 | 114.4 | S380 I381 L382 | S380-N384 WeakPolarHBondContact O-CB 3.2Å; S380-N384 PolarHBondContact O-N 3.38Å; S380-N384 PolarHBondContact O-ND2 3.03Å; I381-N384 PolarHBondContact O-N 3.23Å; L382-N384 PolarHBondContact O-N 3.27Å |
| 385 | L | 76 | Confident | 66.9 | Low | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -49.4 | -178.3 | -89.8 | 157.8 | 0 | 0 | 0 | 112.2 | L364 I381 L382 P473 K476 | L364-L385 HydrophobicContact CD1-CD1 3.82Å; L364-L385 HydrophobicContact CD2-CD1 3.79Å; L364-L385 HydrophobicContact CG-CD1 4.49Å; I381-L385 PolarHBondContact O-N 3.26Å; L382-L385 HydrophobicContact CD2-CD1 3.89Å; L382-L385 PolarHBondContact O-N 2.92Å; L385-P473 HydrophobicContact CD2-CG 4.26Å; L385-K476 HydrophobicContact CD2-CB 4.01Å; L385-K476 WeakPolarHBondContact O-CD 3.37Å; L385-K476 WeakPolarHBondContact O-CE 3.32Å; L385-K476 PolarHBondContact O-NZ 3.35Å |
| 386 | F | 78.8 | Confident | 69.6 | Low | 7 Ų | 7 | 56.5 Ų | 56.5 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | trans | -131 | 131.1 | -176.1 | -61.7 | -74.7 | 0 | 0 | 0 | 111 | I335 F343 I360 I392 K476 V477 | I335-F386 HydrophobicContact CB-CB 4.4Å; I335-F386 HydrophobicContact CD1-CB 3.8Å; I335-F386 HydrophobicContact CD1-CD1 3.98Å; I335-F386 HydrophobicContact CD1-CD2 3.81Å; I335-F386 HydrophobicContact CD1-CE2 4.37Å; I335-F386 HydrophobicContact CD1-CG 3.59Å; I335-F386 HydrophobicContact CG1-CB 3.86Å; I335-F386 HydrophobicContact CG1-CD1 4.13Å; I335-F386 HydrophobicContact CG1-CG 3.99Å; I335-F386 HydrophobicContact CG2-CB 4.04Å; F343-F386 HydrophobicContact CD2-CD2 4.19Å; F343-F386 HydrophobicContact CE1-CD2 4.48Å; F343-F386 AromaticContact CE2-CD2 3.78Å; F343-F386 HydrophobicContact CE2-CD2 3.78Å; F343-F386 HydrophobicContact CE2-CE2 4.27Å; F343-F386 AromaticContact CZ-CD2 3.94Å; F343-F386 HydrophobicContact CZ-CD2 3.94Å; I360-F386 HydrophobicContact CD1-CE2 4.27Å; I360-F386 HydrophobicContact CG2-CE2 3.86Å; I360-F386 HydrophobicContact CG2-CZ 3.93Å; F386-I392 HydrophobicContact CD1-CG2 4.31Å; F386-I392 HydrophobicContact CE1-CG2 3.94Å; F386-K476 HydrophobicContact CE1-CG 4.33Å; F386-V477 HydrophobicContact CZ-CB 4.37Å | ||
| 387 | K | 74.5 | Confident | 72 | Confident | 117 Ų | 117 | 52.5 Ų | 52.5 | 51% | 0.509 | 29% | 0.29 | S | S | . | . | trans | -80.6 | 145.7 | 170.3 | -64.5 | 173.9 | -179.7 | 174.5 | 0 | 108.9 | S389 D390 E470 | K387-S389 PolarHBondContact O-N 3.33Å; K387-D390 PolarHBondContact N-OD2 3.37Å; K387-D390 VanDerWaalsContact O-CB 3.31Å; K387-D390 WeakPolarHBondContact O-CB 3.47Å; K387-D390 VanDerWaalsContact O-CG 3.29Å; K387-D390 PolarHBondContact O-N 3.39Å; K387-E470 IonicContact NZ-OE1 3.3Å; K387-E470 PolarHBondContact NZ-OE1 3.2Å | ||
| 388 | P | 72.5 | Confident | 74.5 | Confident | 97 Ų | 97 | 47 Ų | 47 | 63% | 0.63 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 131.9 | 171.9 | -24.6 | 33.7 | 0 | 0 | 0 | 110.5 | ||
| 389 | S | 75.2 | Confident | 76.6 | Confident | 18 Ų | 18 | 50.3 Ų | 50.3 | 13% | 0.126 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 4.9 | -172.9 | -39.9 | 0 | 0 | 0 | 0 | 116.5 | I335 K387 L391 R596 G668 | I335-S389 WeakPolarHBondContact O-CA 3.48Å; I335-S389 PolarHBondContact O-N 3.46Å; K387-S389 PolarHBondContact O-N 3.33Å; S389-L391 PolarHBondContact O-N 3.15Å; S389-R596 PolarHBondContact O-NH2 3.27Å; S389-G668 WeakPolarHBondContact OG-CA 3.28Å |
| 390 | D | 82.6 | Confident | 78.4 | Confident | 41 Ų | 41 | 48.7 Ų | 48.7 | 22% | 0.219 | 27% | 0.266 | C | S | . | . | trans | -58.4 | 133.9 | 168.2 | -80.5 | -5.1 | 0 | 0 | 0 | 110.4 | S334 I335 K387 K476 | S334-D390 WeakPolarHBondContact CA-O 3.41Å; I335-D390 HydrophobicContact CG1-CB 4.21Å; I335-D390 PolarHBondContact N-O 3.46Å; K387-D390 PolarHBondContact N-OD2 3.37Å; K387-D390 VanDerWaalsContact O-CB 3.31Å; K387-D390 WeakPolarHBondContact O-CB 3.47Å; K387-D390 VanDerWaalsContact O-CG 3.29Å; K387-D390 PolarHBondContact O-N 3.39Å; D390-K476 IonicContact OD2-NZ 3.41Å | ||
| 391 | L | 87 | Confident | 79.6 | Confident | 35 Ų | 35 | 52.1 Ų | 52.1 | 18% | 0.183 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 133.3 | 175.6 | -69.7 | 177.7 | 0 | 0 | 0 | 110.7 | I332 A333 S389 I479 L593 L669 | I332-L391 HydrophobicContact CD1-CB 4.48Å; I332-L391 HydrophobicContact CD1-CD1 4.08Å; I332-L391 HydrophobicContact CD1-CD2 4.31Å; I332-L391 HydrophobicContact CG1-CD2 4.35Å; A333-L391 WeakPolarHBondContact O-CA 3.13Å; S389-L391 PolarHBondContact O-N 3.15Å; L391-I479 HydrophobicContact CB-CD1 4.38Å; L391-L593 HydrophobicContact CD1-CD2 4.34Å; L391-L593 HydrophobicContact CD2-CD2 4.44Å; L391-L669 HydrophobicContact CD2-CD1 3.67Å |
| 392 | I | 91.1 | Very high | 79.3 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 151.5 | 177.4 | 59.7 | 166 | 0 | 0 | 0 | 110.1 | I332 A333 I335 V345 L355 F386 V394 | I332-I392 CarbonylContact C-O 3.56Å; I332-I392 WeakPolarHBondContact CA-O 3.27Å; A333-I392 HydrophobicContact CB-CG1 4.21Å; A333-I392 PolarHBondContact N-O 2.75Å; A333-I392 WeakPolarHBondContact O-CG1 3.25Å; A333-I392 PolarHBondContact O-N 3.19Å; I335-I392 HydrophobicContact CD1-CD1 4.05Å; I335-I392 HydrophobicContact CG1-CD1 4.42Å; I335-I392 HydrophobicContact CG1-CG2 4.31Å; V345-I392 HydrophobicContact CG1-CD1 4.07Å; L355-I392 HydrophobicContact CD2-CD1 3.67Å; F386-I392 HydrophobicContact CD1-CG2 4.31Å; F386-I392 HydrophobicContact CE1-CG2 3.94Å; I392-V394 HydrophobicContact CD1-CG1 3.46Å; I392-V394 VanDerWaalsContact CD1-CG1 3.46Å; I392-V394 HydrophobicContact CG1-CG1 3.86Å |
| 393 | C | 93 | Very high | 78.4 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.02 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 129.8 | 169.1 | -168.7 | 0 | 0 | 0 | 0 | 108.5 | V422 I479 | C393-V422 HydrophobicContact CB-CG1 4.32Å; C393-I479 HydrophobicContact CB-CD1 4.33Å; C393-I479 HydrophobicContact CB-CG1 4.29Å |
| 394 | V | 94.8 | Very high | 77.2 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 148.7 | -177 | -63.6 | 0 | 0 | 0 | 0 | 111.8 | L330 S331 A333 M347 I392 V415 S416 | L330-V394 WeakPolarHBondContact CA-O 3.37Å; S331-V394 PolarHBondContact N-O 2.87Å; S331-V394 WeakPolarHBondContact O-CG2 3.29Å; S331-V394 PolarHBondContact O-N 3.23Å; A333-V394 HydrophobicContact CB-CG1 4.3Å; A333-V394 HydrophobicContact CB-CG2 3.74Å; M347-V394 HydrophobicContact SD-CG2 4.23Å; I392-V394 HydrophobicContact CD1-CG1 3.46Å; I392-V394 VanDerWaalsContact CD1-CG1 3.46Å; I392-V394 HydrophobicContact CG1-CG1 3.86Å; V394-V415 HydrophobicContact CB-CB 4.01Å; V394-V415 HydrophobicContact CB-CG1 4.44Å; V394-V415 HydrophobicContact CB-CG2 4.29Å; V394-V415 HydrophobicContact CG1-CB 4.49Å; V394-V415 HydrophobicContact CG1-CG2 4.25Å; V394-V415 HydrophobicContact CG2-CB 4.25Å; V394-V415 HydrophobicContact CG2-CG1 4.16Å; V394-S416 WeakPolarHBondContact CA-O 3.39Å |
| 395 | K | 95.4 | Very high | 75.7 | Confident | 58 Ų | 58 | 53.4 Ų | 53.4 | 25% | 0.252 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131.5 | 168.7 | -172.4 | 169.9 | -176.6 | 174.3 | 0 | 109.7 | L330 T397 V415 S416 L421 V422 | L330-K395 HydrophobicContact CD2-CB 3.75Å; L330-K395 HydrophobicContact CD2-CD 4.1Å; L330-K395 HydrophobicContact CD2-CG 3.9Å; K395-T397 PolarHBondContact O-N 3.46Å; K395-V415 CarbonylContact O-C 3.55Å; K395-V415 VanDerWaalsContact O-CA 3.29Å; K395-V415 WeakPolarHBondContact O-CA 3.31Å; K395-S416 PolarHBondContact N-O 3.31Å; K395-S416 PolarHBondContact O-N 2.86Å; K395-L421 HydrophobicContact CD-CB 4.4Å; K395-L421 WeakPolarHBondContact CD-O 3.17Å; K395-L421 PolarHBondContact NZ-O 2.9Å; K395-L421 VanDerWaalsContact NZ-O 3.14Å; K395-V422 HydrophobicContact CB-CG2 4.29Å |
| 396 | I | 94.4 | Very high | 73.8 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 119.2 | 176 | -67.8 | 152.2 | 0 | 0 | 0 | 109.6 | C325 G328 M329 M347 W413 V415 | C325-I396 WeakPolarHBondContact SG-CD1 3.44Å; G328-I396 PolarHBondContact N-O 2.86Å; M329-I396 HydrophobicContact CB-CD1 4.01Å; M329-I396 HydrophobicContact CE-CD1 3.17Å; M329-I396 PolarHBondContact O-N 3.41Å; M347-I396 HydrophobicContact CE-CD1 3.98Å; M347-I396 HydrophobicContact CE-CG1 4.25Å; M347-I396 HydrophobicContact SD-CD1 3.9Å; M347-I396 HydrophobicContact SD-CG1 4.02Å; I396-W413 HydrophobicContact CG2-CD2 4.22Å; I396-W413 HydrophobicContact CG2-CE3 3.41Å; I396-W413 VanDerWaalsContact CG2-CE3 3.41Å; I396-W413 HydrophobicContact CG2-CZ3 3.94Å; I396-V415 HydrophobicContact CB-CG1 4.43Å; I396-V415 HydrophobicContact CG1-CG1 3.72Å |
| 397 | T | 90.6 | Very high | 72 | Confident | 63 Ų | 63 | 59.5 Ų | 59.5 | 39% | 0.387 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -27.3 | -177.2 | 53.6 | 0 | 0 | 0 | 0 | 112.3 | T327 K395 S414 | T327-T397 VanDerWaalsContact CG2-C 3.41Å; T327-T397 WeakPolarHBondContact CG2-O 3.44Å; K395-T397 PolarHBondContact O-N 3.46Å; T397-S414 PolarHBondContact N-O 3.02Å; T397-S414 VanDerWaalsContact OG1-C 3.32Å; T397-S414 PolarHBondContact OG1-O 3.02Å; T397-S414 VanDerWaalsContact OG1-O 3.06Å; T397-S414 PolarHBondContact OG1-OG 3.44Å |
| 398 | G | 89.7 | Confident | 70.3 | Confident | 19 Ų | 19 | 61.1 Ų | 61.1 | 20% | 0.196 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.2 | -179.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S414 | G398-S414 PolarHBondContact N-O 3.24Å; G398-S414 PolarHBondContact O-N 3.4Å |
| 399 | K | 84.4 | Confident | 69.1 | Low | 95 Ų | 95 | 61.9 Ų | 61.9 | 41% | 0.413 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 129.2 | 174.9 | -167.2 | 175 | -175.9 | 174 | 0 | 109.1 | W413 | K399-W413 HydrophobicContact CB-CD2 4.28Å; K399-W413 HydrophobicContact CB-CE3 3.78Å; K399-W413 HydrophobicContact CB-CH2 4.26Å; K399-W413 HydrophobicContact CB-CZ3 3.79Å; K399-W413 HydrophobicContact CD-CH2 4.05Å; K399-W413 HydrophobicContact CD-CZ2 3.91Å; K399-W413 HydrophobicContact CD-CZ3 4.4Å; K399-W413 HydrophobicContact CG-CD2 4.23Å; K399-W413 HydrophobicContact CG-CE3 4.23Å; K399-W413 HydrophobicContact CG-CZ2 4.47Å; K399-W413 HydrophobicContact CG-CZ3 4.39Å |
| 400 | V | 76.5 | Confident | 68.5 | Low | 57 Ų | 57 | 64 Ų | 64 | 35% | 0.345 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 128.8 | -179.6 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | S411 H412 | V400-S411 WeakPolarHBondContact O-CA 3.33Å; V400-H412 PolarHBondContact N-O 2.66Å; V400-H412 PolarHBondContact O-N 2.63Å; V400-H412 VanDerWaalsContact O-O 3.1Å |
| 401 | Q | 68 | Low | 68.1 | Low | 133 Ų | 133 | 63.8 Ų | 63.8 | 62% | 0.621 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 121.1 | 176.1 | -74.5 | -178.5 | -20.9 | 0 | 0 | 108.6 | I409 | Q401-I409 HydrophobicContact CB-CG2 4.2Å; Q401-I409 HydrophobicContact CG-CG2 4.39Å |
| 402 | C | 48.8 | Very low | 67.9 | Low | 56 Ų | 56 | 63.7 Ų | 63.7 | 38% | 0.378 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.1 | 177.5 | -57 | 0 | 0 | 0 | 0 | 109.1 | L404 D410 | C402-L404 PolarHBondContact O-N 3.13Å; C402-D410 PolarHBondContact N-O 3.45Å; C402-D410 PolarHBondContact O-N 2.71Å |
| 403 | T | 43.3 | Very low | 67.9 | Low | 105 Ų | 105 | 64.3 Ų | 64.3 | 64% | 0.644 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 114 | 173 | -36.6 | 0 | 0 | 0 | 0 | 108.3 | I409 | T403-I409 HydrophobicContact CG2-CG1 4.38Å |
| 404 | L | 37.8 | Very low | 67.8 | Low | 77 Ų | 77 | 65.2 Ų | 65.2 | 40% | 0.403 | 37% | 0.374 | S | S | . | . | trans | -69.2 | 156.9 | 175.4 | -65.6 | 170.7 | 0 | 0 | 0 | 109.8 | C402 S406 G407 K408 D410 | C402-L404 PolarHBondContact O-N 3.13Å; L404-S406 PolarHBondContact O-N 3.42Å; L404-G407 WeakPolarHBondContact O-CA 3.35Å; L404-G407 PolarHBondContact O-N 3.16Å; L404-K408 VanDerWaalsContact CB-O 3.3Å; L404-K408 WeakPolarHBondContact CB-O 3.49Å; L404-K408 HydrophobicContact CD1-CB 4.49Å; L404-K408 WeakPolarHBondContact CG-O 3.04Å; L404-K408 PolarHBondContact N-O 3.41Å; L404-D410 HydrophobicContact CD1-CB 3.98Å; L404-D410 HydrophobicContact CG-CB 4.07Å | ||
| 405 | P | 34.7 | Very low | 67.8 | Low | 138 Ų | 138 | 65.2 Ų | 65.2 | 90% | 0.896 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -18.6 | 177 | -25.9 | 33.6 | 0 | 0 | 0 | 114.8 | G407 | P405-G407 PolarHBondContact O-N 3.01Š|
| 406 | S | 36.3 | Very low | 67.7 | Low | 81 Ų | 81 | 62.5 Ų | 62.5 | 57% | 0.566 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 6 | 173.6 | 57.3 | 0 | 0 | 0 | 0 | 114.3 | L404 K408 | L404-S406 PolarHBondContact O-N 3.42Å; S406-K408 PolarHBondContact O-N 2.83Å |
| 407 | G | 40.9 | Very low | 67.7 | Low | 54 Ų | 54 | 62.5 Ų | 62.5 | 56% | 0.557 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 75.5 | -8.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L404 P405 I409 | L404-G407 WeakPolarHBondContact O-CA 3.35Å; L404-G407 PolarHBondContact O-N 3.16Å; P405-G407 PolarHBondContact O-N 3.01Å; G407-I409 PolarHBondContact O-N 3.29Å |
| 408 | K | 38.3 | Very low | 67.9 | Low | 152 Ų | 152 | 60.9 Ų | 60.9 | 66% | 0.661 | 35% | 0.351 | S | S | * | . | trans | -73.9 | 123.4 | 177.5 | -73.6 | -173.1 | 177.5 | 178.3 | 0 | 111.2 | L404 S406 D410 | L404-K408 VanDerWaalsContact CB-O 3.3Å; L404-K408 WeakPolarHBondContact CB-O 3.49Å; L404-K408 HydrophobicContact CD1-CB 4.49Å; L404-K408 WeakPolarHBondContact CG-O 3.04Å; L404-K408 PolarHBondContact N-O 3.41Å; S406-K408 PolarHBondContact O-N 2.83Å; K408-D410 PolarHBondContact O-N 2.82Å | ||
| 409 | I | 48.4 | Very low | 68.2 | Low | 112 Ų | 112 | 60 Ų | 60 | 57% | 0.574 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 111.2 | 173.1 | -55.5 | 171.2 | 0 | 0 | 0 | 108.5 | Q401 T403 G407 | Q401-I409 HydrophobicContact CB-CG2 4.2Å; Q401-I409 HydrophobicContact CG-CG2 4.39Å; T403-I409 HydrophobicContact CG2-CG1 4.38Å; G407-I409 PolarHBondContact O-N 3.29Å |
| 410 | D | 62.6 | Low | 68.6 | Low | 63 Ų | 63 | 59 Ų | 59 | 34% | 0.337 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 117 | 169.1 | -169.2 | 17 | 0 | 0 | 0 | 108.8 | R352 C402 L404 K408 | R352-D410 IonicContact NH1-OD2 3.46Å; C402-D410 PolarHBondContact N-O 3.45Å; C402-D410 PolarHBondContact O-N 2.71Å; L404-D410 HydrophobicContact CD1-CB 3.98Å; L404-D410 HydrophobicContact CG-CB 4.07Å; K408-D410 PolarHBondContact O-N 2.82Å |
| 411 | S | 74.3 | Confident | 69.3 | Low | 37 Ų | 37 | 59.8 Ų | 59.8 | 26% | 0.259 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 127.7 | -178.3 | 77.3 | 0 | 0 | 0 | 0 | 110.7 | V400 | V400-S411 WeakPolarHBondContact O-CA 3.33Å |
| 412 | H | 82.5 | Confident | 70.5 | Confident | 32 Ų | 32 | 53.5 Ų | 53.5 | 15% | 0.148 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 160.5 | 175.5 | 61.2 | -84.9 | 0 | 0 | 0 | 110.8 | V354 V400 | V354-H412 WeakPolarHBondContact CG2-CD2 3.34Å; V400-H412 PolarHBondContact N-O 2.66Å; V400-H412 PolarHBondContact O-N 2.63Å; V400-H412 VanDerWaalsContact O-O 3.1Å |
| 413 | W | 90.7 | Very high | 72.7 | Confident | 14 Ų | 14 | 50.9 Ų | 50.9 | 5% | 0.053 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 142.3 | 174.9 | -66 | 91.7 | 0 | 0 | 0 | 110.8 | N322 C325 M347 V351 R352 A353 V354 I396 K399 | N322-W413 VanDerWaalsContact OD1-CD1 3.3Å; N322-W413 PolarHBondContact OD1-NE1 2.52Å; C325-W413 HydrophobicContact CB-CH2 4.36Å; C325-W413 HydrophobicContact CB-CZ2 3.64Å; C325-W413 WeakPolarHBondContact O-CH2 3.48Å; C325-W413 VanDerWaalsContact O-CZ2 3.31Å; C325-W413 WeakPolarHBondContact O-CZ2 3.39Å; M347-W413 HydrophobicContact CE-CB 4.46Å; V351-W413 VanDerWaalsContact CG1-CD1 3.46Å; V351-W413 HydrophobicContact CG1-CG 4.5Å; R352-W413 PolarHBondContact O-N 3.43Å; A353-W413 CarbonylContact C-O 3.44Å; A353-W413 WeakPolarHBondContact CA-O 3.3Å; A353-W413 HydrophobicContact CB-CB 3.85Å; A353-W413 WeakPolarHBondContact CB-O 3.39Å; V354-W413 PolarHBondContact N-O 2.83Å; I396-W413 HydrophobicContact CG2-CD2 4.22Å; I396-W413 HydrophobicContact CG2-CE3 3.41Å; I396-W413 VanDerWaalsContact CG2-CE3 3.41Å; I396-W413 HydrophobicContact CG2-CZ3 3.94Å; K399-W413 HydrophobicContact CB-CD2 4.28Å; K399-W413 HydrophobicContact CB-CE3 3.78Å; K399-W413 HydrophobicContact CB-CH2 4.26Å; K399-W413 HydrophobicContact CB-CZ3 3.79Å; K399-W413 HydrophobicContact CD-CH2 4.05Å; K399-W413 HydrophobicContact CD-CZ2 3.91Å; K399-W413 HydrophobicContact CD-CZ3 4.4Å; K399-W413 HydrophobicContact CG-CD2 4.23Å; K399-W413 HydrophobicContact CG-CE3 4.23Å; K399-W413 HydrophobicContact CG-CZ2 4.47Å; K399-W413 HydrophobicContact CG-CZ3 4.39Å |
| 414 | S | 91.3 | Very high | 74.8 | Confident | 23 Ų | 23 | 48.5 Ų | 48.5 | 16% | 0.161 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 135.6 | 166 | -173.7 | 0 | 0 | 0 | 0 | 108.8 | T397 G398 | T397-S414 PolarHBondContact N-O 3.02Å; T397-S414 VanDerWaalsContact OG1-C 3.32Å; T397-S414 PolarHBondContact OG1-O 3.02Å; T397-S414 VanDerWaalsContact OG1-O 3.06Å; T397-S414 PolarHBondContact OG1-OG 3.44Å; G398-S414 PolarHBondContact N-O 3.24Å; G398-S414 PolarHBondContact O-N 3.4Å |
| 415 | V | 94.3 | Very high | 77.1 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 159.5 | -179.1 | -65.9 | 0 | 0 | 0 | 0 | 111.1 | V345 M347 A353 V354 L355 P356 V394 K395 I396 | V345-V415 HydrophobicContact CG2-CG2 3.79Å; M347-V415 HydrophobicContact SD-CG1 4.31Å; A353-V415 HydrophobicContact CB-CG1 3.66Å; A353-V415 HydrophobicContact CB-CG2 4.08Å; V354-V415 WeakPolarHBondContact O-CG2 3.33Å; V354-V415 PolarHBondContact O-N 2.96Å; L355-V415 HydrophobicContact CB-CG2 3.95Å; L355-V415 HydrophobicContact CD1-CG2 4.32Å; L355-V415 WeakPolarHBondContact CD1-O 3.37Å; P356-V415 WeakPolarHBondContact CD-O 3.5Å; V394-V415 HydrophobicContact CB-CB 4.01Å; V394-V415 HydrophobicContact CB-CG1 4.44Å; V394-V415 HydrophobicContact CB-CG2 4.29Å; V394-V415 HydrophobicContact CG1-CB 4.49Å; V394-V415 HydrophobicContact CG1-CG2 4.25Å; V394-V415 HydrophobicContact CG2-CB 4.25Å; V394-V415 HydrophobicContact CG2-CG1 4.16Å; K395-V415 CarbonylContact O-C 3.55Å; K395-V415 VanDerWaalsContact O-CA 3.29Å; K395-V415 WeakPolarHBondContact O-CA 3.31Å; I396-V415 HydrophobicContact CB-CG1 4.43Å; I396-V415 HydrophobicContact CG1-CG1 3.72Å |
| 416 | S | 94.7 | Very high | 79.7 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 143.3 | 170.4 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | S359 V394 K395 D418 | S359-S416 WeakPolarHBondContact O-CA 3.46Å; S359-S416 PolarHBondContact O-OG 3.37Å; V394-S416 WeakPolarHBondContact CA-O 3.39Å; K395-S416 PolarHBondContact N-O 3.31Å; K395-S416 PolarHBondContact O-N 2.86Å; S416-D418 WeakPolarHBondContact OG-CB 3.21Å; S416-D418 PolarHBondContact OG-N 3.22Å; S416-D418 VanDerWaalsContact OG-N 3.11Å |
| 417 | S | 94.1 | Very high | 81.9 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | -106.2 | 8.8 | 171 | 61.1 | 0 | 0 | 0 | 0 | 112.4 | S359 I360 P419 | S359-S417 PolarHBondContact O-N 3.08Å; S359-S417 VanDerWaalsContact O-N 3.09Å; I360-S417 VanDerWaalsContact CA-OG 3.31Å; I360-S417 WeakPolarHBondContact CA-OG 3.18Å; I360-S417 CarbonylContact O-C 3.49Å; I360-S417 VanDerWaalsContact O-C 3.23Å; I360-S417 PolarHBondContact O-OG 3Å; S417-P419 WeakPolarHBondContact O-CD 3.35Å | ||
| 418 | D | 94.3 | Very high | 83.9 | Confident | 30 Ų | 30 | 42.1 Ų | 42.1 | 16% | 0.16 | 24% | 0.237 | C | C | . | . | trans | -62.9 | 122.2 | -178.8 | -174 | -17.5 | 0 | 0 | 0 | 109.6 | S359 I360 S416 V420 L421 V422 | S359-D418 PolarHBondContact O-N 2.94Å; I360-D418 WeakPolarHBondContact O-CA 3.49Å; I360-D418 PolarHBondContact O-N 3.01Å; S416-D418 WeakPolarHBondContact OG-CB 3.21Å; S416-D418 PolarHBondContact OG-N 3.22Å; S416-D418 VanDerWaalsContact OG-N 3.11Å; D418-V420 PolarHBondContact O-N 3.31Å; D418-V420 VanDerWaalsContact O-N 3.08Å; D418-V420 PolarHBondContact OD1-N 3.49Å; D418-L421 PolarHBondContact O-N 3.03Å; D418-V422 WeakPolarHBondContact O-CG2 3.48Å; D418-V422 PolarHBondContact O-N 2.7Å | ||
| 419 | P | 95.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -49.6 | -33.9 | 176.8 | -29.3 | 36 | 0 | 0 | 0 | 113.8 | S417 L421 N423 A440 L453 | S417-P419 WeakPolarHBondContact O-CD 3.35Å; P419-L421 VanDerWaalsContact C-N 3.29Å; P419-L421 PolarHBondContact O-N 3.28Å; P419-N423 VanDerWaalsContact O-CB 3.23Å; P419-N423 WeakPolarHBondContact O-CB 3.47Å; P419-N423 PolarHBondContact O-N 3.01Å; P419-A440 HydrophobicContact CG-CB 3.79Å; P419-L453 VanDerWaalsContact CB-C 3.49Å |
| 420 | V | 92.9 | Very high | 87.3 | Confident | 75 Ų | 75 | 33 Ų | 33 | 46% | 0.455 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.1 | -39.7 | 177.3 | 178 | 0 | 0 | 0 | 0 | 111.5 | D418 G424 | D418-V420 PolarHBondContact O-N 3.31Å; D418-V420 VanDerWaalsContact O-N 3.08Å; D418-V420 PolarHBondContact OD1-N 3.49Å; V420-G424 WeakPolarHBondContact O-CA 3.04Å; V420-G424 PolarHBondContact O-N 3.23Å |
| 421 | L | 92 | Very high | 88.4 | Confident | 73 Ų | 73 | 30.1 Ų | 30.1 | 38% | 0.382 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -86.3 | -41.6 | -177.9 | -66.7 | 178.9 | 0 | 0 | 0 | 112.3 | K395 D418 P419 | K395-L421 HydrophobicContact CD-CB 4.4Å; K395-L421 WeakPolarHBondContact CD-O 3.17Å; K395-L421 PolarHBondContact NZ-O 2.9Å; K395-L421 VanDerWaalsContact NZ-O 3.14Å; D418-L421 PolarHBondContact O-N 3.03Å; P419-L421 VanDerWaalsContact C-N 3.29Å; P419-L421 PolarHBondContact O-N 3.28Å |
| 422 | V | 93.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.2 | -47.6 | -177.8 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | L330 C393 K395 D418 H425 A438 M521 | L330-V422 HydrophobicContact CD2-CG1 4.39Å; C393-V422 HydrophobicContact CB-CG1 4.32Å; K395-V422 HydrophobicContact CB-CG2 4.29Å; D418-V422 WeakPolarHBondContact O-CG2 3.48Å; D418-V422 PolarHBondContact O-N 2.7Å; V422-H425 PolarHBondContact O-CE1 3.49Å; V422-H425 VanDerWaalsContact O-CE1 3.24Å; V422-H425 PolarHBondContact O-ND1 3.14Å; V422-A438 HydrophobicContact CB-CB 4.21Å; V422-A438 HydrophobicContact CG1-CB 3.7Å; V422-M521 HydrophobicContact CG1-CE 3.84Å |
| 423 | N | 93.7 | Very high | 89 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -90.4 | 1.2 | -178.4 | -55 | -30.5 | 0 | 0 | 0 | 113.3 | P419 H425 L426 I437 A438 L453 F455 | P419-N423 VanDerWaalsContact O-CB 3.23Å; P419-N423 WeakPolarHBondContact O-CB 3.47Å; P419-N423 PolarHBondContact O-N 3.01Å; N423-H425 PolarHBondContact O-N 2.62Å; N423-L426 HydrophobicContact CB-CD1 4.2Å; N423-L426 WeakPolarHBondContact O-CB 3.42Å; N423-L426 PolarHBondContact O-N 2.8Å; N423-I437 VanDerWaalsContact ND2-CG1 3.34Å; N423-I437 WeakPolarHBondContact ND2-CG1 3.25Å; N423-A438 PolarHBondContact ND2-O 2.96Å; N423-A438 PolarHBondContact OD1-N 2.77Å; N423-L453 PolarHBondContact ND2-O 3.41Å; N423-F455 HydrophobicContact CB-CE1 4.41Å; N423-F455 HydrophobicContact CB-CZ 4.25Å |
| 424 | G | 88.2 | Confident | 88.7 | Confident | 56 Ų | 56 | 36.2 Ų | 36.2 | 58% | 0.577 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -8.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | V420 | V420-G424 WeakPolarHBondContact O-CA 3.04Å; V420-G424 PolarHBondContact O-N 3.23Å |
| 425 | H | 85.8 | Confident | 88.6 | Confident | 80 Ų | 80 | 35.1 Ų | 35.1 | 37% | 0.37 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -9.3 | 173.3 | 64.3 | -74.1 | 0 | 0 | 0 | 113.3 | L330 V422 N423 M521 | L330-H425 VanDerWaalsContact CD1-CE1 3.42Å; L330-H425 WeakPolarHBondContact CD1-CE1 3.26Å; V422-H425 PolarHBondContact O-CE1 3.49Å; V422-H425 VanDerWaalsContact O-CE1 3.24Å; V422-H425 PolarHBondContact O-ND1 3.14Å; N423-H425 PolarHBondContact O-N 2.62Å; H425-M521 PolarHBondContact CE1-SD 2.78Å; H425-M521 PolarHBondContact NE2-SD 2.98Å; H425-M521 VanDerWaalsContact NE2-SD 3.36Å |
| 426 | L | 88.7 | Confident | 88.4 | Confident | 11 Ų | 11 | 35.4 Ų | 35.4 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | trans | -92.4 | 151.6 | 179.5 | -57.3 | 177.2 | 0 | 0 | 0 | 110.2 | N423 F455 M518 L519 | N423-L426 HydrophobicContact CB-CD1 4.2Å; N423-L426 WeakPolarHBondContact O-CB 3.42Å; N423-L426 PolarHBondContact O-N 2.8Å; L426-F455 HydrophobicContact CB-CE1 4.03Å; L426-F455 HydrophobicContact CB-CZ 3.78Å; L426-F455 VanDerWaalsContact O-CE1 3.29Å; L426-F455 WeakPolarHBondContact O-CE1 3.47Å; L426-M518 WeakPolarHBondContact CD2-O 3.39Å; L426-L519 HydrophobicContact CD2-CD2 4.03Å | ||
| 427 | T | 84.5 | Confident | 88.4 | Confident | 78 Ų | 78 | 35.4 Ų | 35.4 | 48% | 0.479 | 21% | 0.21 | S | C | . | . | trans | -117.5 | 140.3 | 169.3 | 53.2 | 0 | 0 | 0 | 0 | 109.5 | G429 A430 | T427-G429 VanDerWaalsContact C-N 3.28Å; T427-G429 PolarHBondContact O-N 2.76Å; T427-G429 VanDerWaalsContact O-N 3.14Å; T427-A430 WeakPolarHBondContact O-CB 3.31Å; T427-A430 PolarHBondContact O-N 2.89Å; T427-A430 WeakPolarHBondContact OG1-CB 3.34Å | ||
| 428 | P | 80.9 | Confident | 88.3 | Confident | 46 Ų | 46 | 35.5 Ų | 35.5 | 30% | 0.299 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -52.1 | -41 | -175.5 | -28.2 | 33.3 | 0 | 0 | 0 | 114.6 | A430 L431 F455 V458 | P428-A430 PolarHBondContact O-N 2.68Å; P428-L431 WeakPolarHBondContact O-CB 3.37Å; P428-L431 PolarHBondContact O-N 3.04Å; P428-F455 HydrophobicContact CG-CB 4Å; P428-F455 HydrophobicContact CG-CD1 4.05Å; P428-F455 HydrophobicContact CG-CD2 4.05Å; P428-F455 HydrophobicContact CG-CG 3.76Å; P428-V458 HydrophobicContact CB-CG1 4.44Å; P428-V458 HydrophobicContact CB-CG2 4.02Å; P428-V458 HydrophobicContact CG-CB 4.46Å; P428-V458 HydrophobicContact CG-CG2 4.02Å |
| 429 | G | 77.8 | Confident | 88.3 | Confident | 57 Ų | 57 | 34.1 Ų | 34.1 | 59% | 0.588 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -70.8 | -14.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | T427 R432 | T427-G429 VanDerWaalsContact C-N 3.28Å; T427-G429 PolarHBondContact O-N 2.76Å; T427-G429 VanDerWaalsContact O-N 3.14Å; G429-R432 PolarHBondContact O-NH1 3.05Å |
| 430 | A | 81.2 | Confident | 88.3 | Confident | 17 Ų | 17 | 34.1 Ų | 34.1 | 14% | 0.14 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -83.9 | -15.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | T427 P428 L519 | T427-A430 WeakPolarHBondContact O-CB 3.31Å; T427-A430 PolarHBondContact O-N 2.89Å; T427-A430 WeakPolarHBondContact OG1-CB 3.34Å; P428-A430 PolarHBondContact O-N 2.68Å; A430-L519 HydrophobicContact CB-CD2 4.43Å; A430-L519 VanDerWaalsContact O-CD1 3.25Å; A430-L519 WeakPolarHBondContact O-CD1 3.15Å; A430-L519 WeakPolarHBondContact O-CD2 3.38Å |
| 431 | L | 85.1 | Confident | 88.3 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | trans | -61.2 | 144.3 | 180 | -64.5 | 171.9 | 0 | 0 | 0 | 110.7 | P428 A435 I437 F455 F487 I494 L519 | P428-L431 WeakPolarHBondContact O-CB 3.37Å; P428-L431 PolarHBondContact O-N 3.04Å; L431-A435 HydrophobicContact CD2-CB 4.42Å; L431-I437 HydrophobicContact CD1-CD1 4.36Å; L431-I437 HydrophobicContact CD2-CD1 4.24Å; L431-F455 HydrophobicContact CD1-CE2 3.97Å; L431-F487 HydrophobicContact CB-CD1 4.41Å; L431-F487 HydrophobicContact CB-CE1 3.68Å; L431-F487 HydrophobicContact CB-CZ 3.91Å; L431-F487 WeakPolarHBondContact O-CD1 3.19Å; L431-F487 VanDerWaalsContact O-CD2 3.27Å; L431-F487 WeakPolarHBondContact O-CD2 3.47Å; L431-F487 WeakPolarHBondContact O-CE2 3.47Å; L431-F487 VanDerWaalsContact O-CG 3.24Å; L431-F487 WeakPolarHBondContact O-CG 3.21Å; L431-I494 HydrophobicContact CD1-CD1 3.4Å; L431-I494 VanDerWaalsContact CD1-CD1 3.4Å; L431-L519 HydrophobicContact CD2-CD2 4.37Å | ||
| 432 | R | 84 | Confident | 88.2 | Confident | 110 Ų | 110 | 33 Ų | 33 | 42% | 0.415 | 19% | 0.186 | S | C | . | . | trans | -140.1 | 159.9 | -178.8 | -66.5 | -65.8 | -179.6 | -96 | 3.8 | 109 | G429 R434 A435 V482 L519 | G429-R432 PolarHBondContact O-NH1 3.05Å; R432-R434 PolarHBondContact O-N 2.96Å; R432-A435 WeakPolarHBondContact O-CB 3.47Å; R432-A435 PolarHBondContact O-N 3.22Å; R432-V482 WeakPolarHBondContact O-CB 3.44Å; R432-V482 WeakPolarHBondContact O-CG1 3.42Å; R432-L519 HydrophobicContact CB-CD1 3.94Å; R432-L519 HydrophobicContact CG-CD1 3.9Å | ||
| 433 | H | 85.4 | Confident | 88 | Confident | 59 Ų | 59 | 34.5 Ų | 34.5 | 27% | 0.273 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 136.4 | 172.8 | -177.1 | -86.3 | 0 | 0 | 0 | 111.1 | A435 V483 D484 E485 | H433-A435 VanDerWaalsContact C-N 3.27Å; H433-A435 PolarHBondContact O-N 2.77Å; H433-V483 PolarHBondContact CD2-O 3.35Å; H433-V483 VanDerWaalsContact CD2-O 3.23Å; H433-D484 WeakPolarHBondContact CB-O 3.38Å; H433-E485 VanDerWaalsContact CD2-CG 3.49Å; H433-E485 WeakPolarHBondContact CD2-CG 3.07Å |
| 434 | R | 84.9 | Confident | 87.7 | Confident | 42 Ų | 42 | 38.1 Ų | 38.1 | 16% | 0.158 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 1.9 | -171.7 | -53.2 | -161.4 | 162.4 | 159.3 | -13.9 | 117.4 | R432 V436 V482 N508 E510 L511 | R432-R434 PolarHBondContact O-N 2.96Å; R434-V436 PolarHBondContact O-N 2.99Å; R434-V482 PolarHBondContact N-O 2.82Å; R434-N508 PolarHBondContact NH1-O 3.44Å; R434-N508 PolarHBondContact NH2-O 2.86Å; R434-E510 PolarHBondContact NH1-O 2.85Å; R434-L511 HydrophobicContact CB-CD2 4.47Å |
| 435 | A | 89.3 | Confident | 87.7 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | trans | -59.2 | 134.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L431 R432 H433 S481 V482 F515 L519 | L431-A435 HydrophobicContact CD2-CB 4.42Å; R432-A435 WeakPolarHBondContact O-CB 3.47Å; R432-A435 PolarHBondContact O-N 3.22Å; H433-A435 VanDerWaalsContact C-N 3.27Å; H433-A435 PolarHBondContact O-N 2.77Å; A435-S481 WeakPolarHBondContact O-CA 3.45Å; A435-V482 HydrophobicContact CB-CB 4.43Å; A435-V482 HydrophobicContact CB-CG2 4.11Å; A435-V482 PolarHBondContact O-N 3.12Å; A435-F515 HydrophobicContact CB-CZ 4.4Å; A435-L519 HydrophobicContact CB-CD1 4.3Å | ||
| 436 | V | 91 | Very high | 87.5 | Confident | 6 Ų | 6 | 44.9 Ų | 44.9 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 131 | 178.5 | 175.2 | 0 | 0 | 0 | 0 | 109.2 | R434 I479 C480 L499 M521 L524 | R434-V436 PolarHBondContact O-N 2.99Å; V436-I479 HydrophobicContact CG1-CG2 3.48Å; V436-I479 VanDerWaalsContact CG1-CG2 3.48Å; V436-C480 WeakPolarHBondContact CA-O 3.14Å; V436-L499 HydrophobicContact CG1-CD2 4.46Å; V436-L499 HydrophobicContact CG2-CD1 4.15Å; V436-M521 HydrophobicContact CB-CB 4.08Å; V436-M521 HydrophobicContact CG1-CB 4.3Å; V436-M521 WeakPolarHBondContact O-CG 3.31Å; V436-L524 HydrophobicContact CG2-CB 4.17Å; V436-L524 HydrophobicContact CG2-CD1 4.06Å |
| 437 | I | 93 | Very high | 87.3 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 140.3 | -176.1 | -169.1 | 163 | 0 | 0 | 0 | 110.9 | N423 L431 L453 F455 C480 V482 L496 | N423-I437 VanDerWaalsContact ND2-CG1 3.34Å; N423-I437 WeakPolarHBondContact ND2-CG1 3.25Å; L431-I437 HydrophobicContact CD1-CD1 4.36Å; L431-I437 HydrophobicContact CD2-CD1 4.24Å; I437-L453 HydrophobicContact CD1-CB 4.17Å; I437-L453 HydrophobicContact CD1-CD1 4.31Å; I437-L453 HydrophobicContact CD1-CD2 4.36Å; I437-F455 HydrophobicContact CD1-CE2 3.65Å; I437-F455 HydrophobicContact CD1-CZ 4.1Å; I437-C480 HydrophobicContact CG2-CB 4.23Å; I437-C480 PolarHBondContact N-O 3.31Å; I437-C480 PolarHBondContact O-N 2.78Å; I437-V482 HydrophobicContact CG2-CG2 4.42Å; I437-L496 HydrophobicContact CG2-CD1 4.36Å; I437-L496 HydrophobicContact CG2-CD2 3.96Å |
| 438 | A | 93.7 | Very high | 87.5 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 2% | 0.017 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 132.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | V422 N423 | V422-A438 HydrophobicContact CB-CB 4.21Å; V422-A438 HydrophobicContact CG1-CB 3.7Å; N423-A438 PolarHBondContact ND2-O 2.96Å; N423-A438 PolarHBondContact OD1-N 2.77Å |
| 439 | A | 93.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 134.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L451 D452 L453 V477 L478 C480 L496 | A439-L451 HydrophobicContact CB-CB 4.13Å; A439-L451 HydrophobicContact CB-CD1 4.13Å; A439-D452 WeakPolarHBondContact CA-O 3.18Å; A439-L453 HydrophobicContact CB-CD2 3.63Å; A439-V477 CarbonylContact O-C 3.48Å; A439-V477 WeakPolarHBondContact O-CA 3.41Å; A439-L478 PolarHBondContact N-O 3.42Å; A439-L478 PolarHBondContact O-N 2.92Å; A439-C480 HydrophobicContact CB-CB 4.41Å; A439-L496 HydrophobicContact CB-CD1 4.15Å |
| 440 | A | 94.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 136.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | P419 R442 L451 D452 K476 V477 | P419-A440 HydrophobicContact CG-CB 3.79Å; A440-R442 PolarHBondContact O-N 3.21Å; A440-R442 VanDerWaalsContact O-N 3.11Å; A440-L451 CarbonylContact O-C 3.56Å; A440-L451 VanDerWaalsContact O-CA 3.3Å; A440-L451 WeakPolarHBondContact O-CA 3.24Å; A440-D452 HydrophobicContact CB-CB 4.49Å; A440-D452 PolarHBondContact N-O 3.2Å; A440-D452 PolarHBondContact O-N 3.05Å; A440-K476 CarbonylContact C-O 3.6Å; A440-K476 WeakPolarHBondContact CA-O 3.5Å; A440-V477 HydrophobicContact CB-CG2 4.1Å |
| 441 | V | 92.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 114.2 | 176.3 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | Y449 L451 L472 V474 G475 K476 L478 | V441-Y449 HydrophobicContact CG1-CD1 4.11Å; V441-L451 HydrophobicContact CB-CD2 4.41Å; V441-L451 HydrophobicContact CG2-CD2 3.89Å; V441-L472 HydrophobicContact CG2-CB 4.11Å; V441-V474 HydrophobicContact CG1-CG2 4.47Å; V441-G475 PolarHBondContact O-N 3.03Å; V441-K476 HydrophobicContact CG2-CB 4.32Å; V441-K476 PolarHBondContact N-O 2.94Å; V441-L478 HydrophobicContact CG2-CD1 4.3Å |
| 442 | R | 90.5 | Very high | 89.8 | Confident | 125 Ų | 125 | 46.3 Ų | 46.3 | 47% | 0.472 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -44.8 | -179.4 | -178 | 179.8 | 175.3 | 177.8 | 1.5 | 111.5 | P363 A440 L450 D452 L459 V474 | P363-R442 HydrophobicContact CG-CB 4.41Å; A440-R442 PolarHBondContact O-N 3.21Å; A440-R442 VanDerWaalsContact O-N 3.11Å; R442-L450 WeakPolarHBondContact CB-O 3.48Å; R442-L450 PolarHBondContact N-O 2.98Å; R442-D452 HydrophobicContact CB-CB 4.33Å; R442-L459 VanDerWaalsContact NH1-CD2 3.33Å; R442-V474 WeakPolarHBondContact O-CG1 3.41Å |
| 443 | S | 90.3 | Very high | 90.2 | Very high | 31 Ų | 31 | 41.1 Ų | 41.1 | 22% | 0.217 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 152.7 | 178.1 | 48.6 | 0 | 0 | 0 | 0 | 111.3 | E445 L450 | S443-E445 WeakPolarHBondContact CB-OE1 3.43Å; S443-E445 PolarHBondContact OG-OE1 3.48Å; S443-L450 PolarHBondContact N-O 3.34Å; S443-L450 PolarHBondContact O-N 2.66Å; S443-L450 WeakPolarHBondContact OG-CB 3.19Å |
| 444 | N | 86.7 | Confident | 90.5 | Very high | 78 Ų | 78 | 39.3 Ų | 39.3 | 42% | 0.417 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 117.7 | 169.1 | -64.2 | 6 | 0 | 0 | 0 | 107.2 | Y449 | N444-Y449 HydrophobicContact CB-CD1 4.45Å; N444-Y449 WeakPolarHBondContact OD1-CD1 3.49Å; N444-Y449 WeakPolarHBondContact OD1-CE1 3.44Å |
| 445 | E | 88.3 | Confident | 90.7 | Very high | 88 Ų | 88 | 38.6 Ų | 38.6 | 41% | 0.411 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 174 | 178.5 | -56.1 | -63.1 | 153.9 | 0 | 0 | 110.3 | S443 K447 G448 L450 F464 | S443-E445 WeakPolarHBondContact CB-OE1 3.43Å; S443-E445 PolarHBondContact OG-OE1 3.48Å; E445-K447 VanDerWaalsContact C-N 3.26Å; E445-K447 PolarHBondContact O-N 3.24Å; E445-G448 WeakPolarHBondContact CA-O 3.36Å; E445-G448 WeakPolarHBondContact CB-O 3.46Å; E445-G448 PolarHBondContact N-O 3.09Å; E445-L450 HydrophobicContact CG-CB 3.99Å; E445-F464 WeakPolarHBondContact O-CE2 3.4Å; E445-F464 WeakPolarHBondContact O-CZ 3.35Å |
| 446 | E | 81.4 | Confident | 90.4 | Very high | 190 Ų | 190 | 47.5 Ų | 47.5 | 89% | 0.888 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -27.1 | -176.8 | -67.7 | -178.9 | 174.9 | 0 | 0 | 114.6 | ||
| 447 | K | 84.4 | Confident | 89.9 | Confident | 167 Ų | 167 | 53.4 Ų | 53.4 | 73% | 0.726 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.4 | -1.4 | -174.4 | -65 | -172.5 | 178.4 | -176.4 | 0 | 114.7 | E445 F461 F464 | E445-K447 VanDerWaalsContact C-N 3.26Å; E445-K447 PolarHBondContact O-N 3.24Å; K447-F461 HydrophobicContact CB-CZ 4.19Å; K447-F464 VanDerWaalsContact C-CD2 3.49Å |
| 448 | G | 88.6 | Confident | 89.6 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.2 | -171.5 | -175 | 0 | 0 | 0 | 0 | 0 | 112.8 | E445 M462 | E445-G448 WeakPolarHBondContact CA-O 3.36Å; E445-G448 WeakPolarHBondContact CB-O 3.46Å; E445-G448 PolarHBondContact N-O 3.09Å; G448-M462 CarbonylContact C-O 3.53Å; G448-M462 VanDerWaalsContact CA-O 3.28Å; G448-M462 WeakPolarHBondContact CA-O 3.23Å |
| 449 | Y | 92.8 | Very high | 89.5 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 4% | 0.039 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 132.7 | 177.2 | -56.9 | -79.4 | 0 | 0 | 0 | 110.7 | V441 N444 M462 F464 C467 E470 S471 L472 | V441-Y449 HydrophobicContact CG1-CD1 4.11Å; N444-Y449 HydrophobicContact CB-CD1 4.45Å; N444-Y449 WeakPolarHBondContact OD1-CD1 3.49Å; N444-Y449 WeakPolarHBondContact OD1-CE1 3.44Å; Y449-M462 HydrophobicContact CD2-CE 3.97Å; Y449-M462 PolarHBondContact N-O 3Å; Y449-M462 PolarHBondContact O-N 2.85Å; Y449-F464 AromaticContact CD1-CE1 3.96Å; Y449-F464 HydrophobicContact CD1-CE1 3.96Å; Y449-F464 AromaticContact CD2-CD1 3.81Å; Y449-F464 HydrophobicContact CD2-CD1 3.81Å; Y449-F464 AromaticContact CD2-CE1 3.91Å; Y449-F464 HydrophobicContact CD2-CE1 3.91Å; Y449-F464 HydrophobicContact CE1-CD1 4.23Å; Y449-F464 AromaticContact CE1-CE1 3.64Å; Y449-F464 HydrophobicContact CE1-CE1 3.64Å; Y449-F464 AromaticContact CE2-CD1 3.34Å; Y449-F464 HydrophobicContact CE2-CD1 3.34Å; Y449-F464 AromaticContact CE2-CE1 3.61Å; Y449-F464 HydrophobicContact CE2-CE1 3.61Å; Y449-F464 HydrophobicContact CG-CD1 4.45Å; Y449-F464 HydrophobicContact CG-CE1 4.09Å; Y449-F464 AromaticContact CZ-CD1 3.56Å; Y449-F464 AromaticContact CZ-CE1 3.45Å; Y449-F464 VanDerWaalsContact CZ-CE1 3.45Å; Y449-C467 HydrophobicContact CE2-CB 4.31Å; Y449-E470 PolarHBondContact OH-O 3.04Å; Y449-S471 WeakPolarHBondContact OH-CA 3.49Å; Y449-L472 HydrophobicContact CD1-CB 4.28Å; Y449-L472 HydrophobicContact CD2-CD1 3.92Å; Y449-L472 HydrophobicContact CE1-CB 3.79Å; Y449-L472 HydrophobicContact CE2-CB 4.32Å; Y449-L472 HydrophobicContact CE2-CD1 3.72Å; Y449-L472 HydrophobicContact CE2-CG 4.19Å; Y449-L472 HydrophobicContact CG-CD1 4.4Å; Y449-L472 PolarHBondContact OH-N 3.32Å |
| 450 | L | 92.5 | Very high | 89.4 | Confident | 31 Ų | 31 | 55.7 Ų | 55.7 | 16% | 0.162 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 128.3 | 165.9 | -155.7 | 77.2 | 0 | 0 | 0 | 108.5 | R442 S443 E445 L459 | R442-L450 WeakPolarHBondContact CB-O 3.48Å; R442-L450 PolarHBondContact N-O 2.98Å; S443-L450 PolarHBondContact N-O 3.34Å; S443-L450 PolarHBondContact O-N 2.66Å; S443-L450 WeakPolarHBondContact OG-CB 3.19Å; E445-L450 HydrophobicContact CG-CB 3.99Å; L450-L459 HydrophobicContact CD1-CD1 4.45Å; L450-L459 HydrophobicContact CD2-CD1 3.71Å; L450-L459 HydrophobicContact CG-CD1 4.12Å |
| 451 | L | 94 | Very high | 89.4 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 135.3 | -172.8 | -60.8 | 170 | 0 | 0 | 0 | 110.8 | A439 A440 V441 L453 G460 M462 L496 | A439-L451 HydrophobicContact CB-CB 4.13Å; A439-L451 HydrophobicContact CB-CD1 4.13Å; A440-L451 CarbonylContact O-C 3.56Å; A440-L451 VanDerWaalsContact O-CA 3.3Å; A440-L451 WeakPolarHBondContact O-CA 3.24Å; V441-L451 HydrophobicContact CB-CD2 4.41Å; V441-L451 HydrophobicContact CG2-CD2 3.89Å; L451-L453 HydrophobicContact CB-CD2 4.44Å; L451-G460 PolarHBondContact N-O 2.85Å; L451-G460 PolarHBondContact O-N 3.06Å; L451-M462 HydrophobicContact CD1-CB 3.67Å; L451-M462 HydrophobicContact CD1-CE 4.32Å; L451-M462 HydrophobicContact CD1-SD 4.19Å; L451-M462 HydrophobicContact CD2-CE 4.45Å; L451-M462 HydrophobicContact CG-CB 4.43Å; L451-L496 HydrophobicContact CD1-CB 4.21Å; L451-L496 HydrophobicContact CD1-CD1 3.75Å |
| 452 | D | 94 | Very high | 89.4 | Confident | 32 Ų | 32 | 58.3 Ų | 58.3 | 17% | 0.171 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 124.7 | 168.9 | -172 | -1.4 | 0 | 0 | 0 | 110 | A439 A440 R442 G454 | A439-D452 WeakPolarHBondContact CA-O 3.18Å; A440-D452 HydrophobicContact CB-CB 4.49Å; A440-D452 PolarHBondContact N-O 3.2Å; A440-D452 PolarHBondContact O-N 3.05Å; R442-D452 HydrophobicContact CB-CB 4.33Å; D452-G454 PolarHBondContact OD1-N 3.32Å |
| 453 | L | 93.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -103.1 | -2 | -179.1 | -52 | -178.2 | 0 | 0 | 0 | 112.5 | P419 N423 I437 A439 L451 F455 I494 L496 | P419-L453 VanDerWaalsContact CB-C 3.49Å; N423-L453 PolarHBondContact ND2-O 3.41Å; I437-L453 HydrophobicContact CD1-CB 4.17Å; I437-L453 HydrophobicContact CD1-CD1 4.31Å; I437-L453 HydrophobicContact CD1-CD2 4.36Å; A439-L453 HydrophobicContact CB-CD2 3.63Å; L451-L453 HydrophobicContact CB-CD2 4.44Å; L453-F455 VanDerWaalsContact C-N 3.25Å; L453-F455 HydrophobicContact CB-CD2 3.75Å; L453-F455 HydrophobicContact CB-CE2 4.08Å; L453-F455 HydrophobicContact CD1-CD2 4.42Å; L453-F455 PolarHBondContact O-N 2.93Å; L453-I494 HydrophobicContact CD1-CD1 4.4Å; L453-L496 HydrophobicContact CD2-CD1 3.51Å | ||
| 454 | G | 90.5 | Very high | 89.2 | Confident | 22 Ų | 22 | 56.3 Ų | 56.3 | 23% | 0.227 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 79.6 | 2.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D452 | D452-G454 PolarHBondContact OD1-N 3.32Š|
| 455 | F | 90 | Very high | 88.9 | Confident | 26 Ų | 26 | 58.9 Ų | 58.9 | 11% | 0.114 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -90.7 | 148.8 | 173.6 | -56.7 | -51 | 0 | 0 | 0 | 111.5 | N423 L426 P428 L431 I437 L453 D457 V458 | N423-F455 HydrophobicContact CB-CE1 4.41Å; N423-F455 HydrophobicContact CB-CZ 4.25Å; L426-F455 HydrophobicContact CB-CE1 4.03Å; L426-F455 HydrophobicContact CB-CZ 3.78Å; L426-F455 VanDerWaalsContact O-CE1 3.29Å; L426-F455 WeakPolarHBondContact O-CE1 3.47Å; P428-F455 HydrophobicContact CG-CB 4Å; P428-F455 HydrophobicContact CG-CD1 4.05Å; P428-F455 HydrophobicContact CG-CD2 4.05Å; P428-F455 HydrophobicContact CG-CG 3.76Å; L431-F455 HydrophobicContact CD1-CE2 3.97Å; I437-F455 HydrophobicContact CD1-CE2 3.65Å; I437-F455 HydrophobicContact CD1-CZ 4.1Å; L453-F455 VanDerWaalsContact C-N 3.25Å; L453-F455 HydrophobicContact CB-CD2 3.75Å; L453-F455 HydrophobicContact CB-CE2 4.08Å; L453-F455 HydrophobicContact CD1-CD2 4.42Å; L453-F455 PolarHBondContact O-N 2.93Å; F455-D457 PolarHBondContact O-N 2.98Å; F455-V458 HydrophobicContact CB-CB 4.04Å |
| 456 | K | 81.6 | Confident | 88.4 | Confident | 189 Ų | 189 | 56 Ų | 56 | 82% | 0.822 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | 121.5 | 174 | -164 | 177.7 | 179.4 | -178.5 | 0 | 109.5 | V458 | K456-V458 VanDerWaalsContact C-N 3.25Å; K456-V458 PolarHBondContact O-N 3Å |
| 457 | D | 81.2 | Confident | 88 | Confident | 130 Ų | 130 | 47.1 Ų | 47.1 | 70% | 0.695 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 13.3 | 176.6 | -52.6 | -44.7 | 0 | 0 | 0 | 116.8 | F455 | F455-D457 PolarHBondContact O-N 2.98Š|
| 458 | V | 87.6 | Confident | 87.2 | Confident | 18 Ų | 18 | 44 Ų | 44 | 11% | 0.109 | 23% | 0.227 | C | C | . | . | trans | -122.6 | 124.9 | 173.9 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | P428 F455 K456 R492 I494 | P428-V458 HydrophobicContact CB-CG1 4.44Å; P428-V458 HydrophobicContact CB-CG2 4.02Å; P428-V458 HydrophobicContact CG-CB 4.46Å; P428-V458 HydrophobicContact CG-CG2 4.02Å; F455-V458 HydrophobicContact CB-CB 4.04Å; K456-V458 VanDerWaalsContact C-N 3.25Å; K456-V458 PolarHBondContact O-N 3Å; V458-R492 WeakPolarHBondContact CA-O 3.23Å; V458-I494 HydrophobicContact CG1-CD1 3.67Å; V458-I494 HydrophobicContact CG1-CG1 4.03Å | ||
| 459 | L | 91.4 | Very high | 86.1 | Confident | 32 Ų | 32 | 47.8 Ų | 47.8 | 17% | 0.168 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 159.2 | -177 | -61.1 | 174 | 0 | 0 | 0 | 111.3 | R442 L450 R492 V493 I494 | R442-L459 VanDerWaalsContact NH1-CD2 3.33Å; L450-L459 HydrophobicContact CD1-CD1 4.45Å; L450-L459 HydrophobicContact CD2-CD1 3.71Å; L450-L459 HydrophobicContact CG-CD1 4.12Å; L459-R492 PolarHBondContact N-O 3.33Å; L459-V493 CarbonylContact O-C 3.5Å; L459-V493 VanDerWaalsContact O-CA 3.27Å; L459-V493 WeakPolarHBondContact O-CA 3.03Å; L459-I494 PolarHBondContact O-N 3.35Å |
| 460 | G | 91.9 | Very high | 85 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 149.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111 | L451 I494 | L451-G460 PolarHBondContact N-O 2.85Å; L451-G460 PolarHBondContact O-N 3.06Å; G460-I494 CarbonylContact C-O 3.53Å; G460-I494 VanDerWaalsContact CA-O 3.28Å; G460-I494 WeakPolarHBondContact CA-O 3.37Å |
| 461 | F | 93.5 | Very high | 84.3 | Confident | 55 Ų | 55 | 53.8 Ų | 53.8 | 24% | 0.241 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 133.3 | 168.1 | -179.3 | -101.5 | 0 | 0 | 0 | 109.5 | K447 P463 V493 I494 L496 | K447-F461 HydrophobicContact CB-CZ 4.19Å; F461-P463 HydrophobicContact CD1-CG 4.32Å; F461-P463 HydrophobicContact CE1-CB 4.48Å; F461-P463 HydrophobicContact CE1-CG 3.92Å; F461-V493 HydrophobicContact CB-CG1 3.49Å; F461-V493 VanDerWaalsContact CB-CG1 3.49Å; F461-I494 PolarHBondContact N-O 3.43Å; F461-L496 PolarHBondContact O-N 3.35Å |
| 462 | M | 92.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 110.7 | -179.2 | -176.5 | 168 | 74.2 | 0 | 0 | 110.1 | G448 Y449 L451 L472 L478 P498 | G448-M462 CarbonylContact C-O 3.53Å; G448-M462 VanDerWaalsContact CA-O 3.28Å; G448-M462 WeakPolarHBondContact CA-O 3.23Å; Y449-M462 HydrophobicContact CD2-CE 3.97Å; Y449-M462 PolarHBondContact N-O 3Å; Y449-M462 PolarHBondContact O-N 2.85Å; L451-M462 HydrophobicContact CD1-CB 3.67Å; L451-M462 HydrophobicContact CD1-CE 4.32Å; L451-M462 HydrophobicContact CD1-SD 4.19Å; L451-M462 HydrophobicContact CD2-CE 4.45Å; L451-M462 HydrophobicContact CG-CB 4.43Å; M462-L472 HydrophobicContact CE-CD1 3.41Å; M462-L472 VanDerWaalsContact CE-CD1 3.41Å; M462-L478 HydrophobicContact CE-CD1 3.72Å; M462-P498 HydrophobicContact CE-CG 4.46Å; M462-P498 VanDerWaalsContact SD-CD 3.57Å; M462-P498 HydrophobicContact SD-CG 3.61Å |
| 463 | P | 89.7 | Confident | 83.5 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 23% | 0.234 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 150.6 | -179.6 | -20.3 | 31.3 | 0 | 0 | 0 | 113.3 | F461 D465 V466 | F461-P463 HydrophobicContact CD1-CG 4.32Å; F461-P463 HydrophobicContact CE1-CB 4.48Å; F461-P463 HydrophobicContact CE1-CG 3.92Å; P463-D465 WeakPolarHBondContact CB-OD1 3.34Å; P463-D465 PolarHBondContact O-N 3.5Å; P463-V466 HydrophobicContact CB-CG2 3.93Å; P463-V466 HydrophobicContact CG-CG2 4.13Å; P463-V466 PolarHBondContact O-N 3.2Å |
| 464 | F | 87 | Confident | 83.1 | Confident | 79 Ų | 79 | 57.4 Ų | 57.4 | 35% | 0.346 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -65.9 | -35.5 | -176.4 | -70.8 | -47.5 | 0 | 0 | 0 | 114 | E445 K447 Y449 V466 C467 | E445-F464 WeakPolarHBondContact O-CE2 3.4Å; E445-F464 WeakPolarHBondContact O-CZ 3.35Å; K447-F464 VanDerWaalsContact C-CD2 3.49Å; Y449-F464 AromaticContact CD1-CE1 3.96Å; Y449-F464 HydrophobicContact CD1-CE1 3.96Å; Y449-F464 AromaticContact CD2-CD1 3.81Å; Y449-F464 HydrophobicContact CD2-CD1 3.81Å; Y449-F464 AromaticContact CD2-CE1 3.91Å; Y449-F464 HydrophobicContact CD2-CE1 3.91Å; Y449-F464 HydrophobicContact CE1-CD1 4.23Å; Y449-F464 AromaticContact CE1-CE1 3.64Å; Y449-F464 HydrophobicContact CE1-CE1 3.64Å; Y449-F464 AromaticContact CE2-CD1 3.34Å; Y449-F464 HydrophobicContact CE2-CD1 3.34Å; Y449-F464 AromaticContact CE2-CE1 3.61Å; Y449-F464 HydrophobicContact CE2-CE1 3.61Å; Y449-F464 HydrophobicContact CG-CD1 4.45Å; Y449-F464 HydrophobicContact CG-CE1 4.09Å; Y449-F464 AromaticContact CZ-CD1 3.56Å; Y449-F464 AromaticContact CZ-CE1 3.45Å; Y449-F464 VanDerWaalsContact CZ-CE1 3.45Å; F464-V466 PolarHBondContact O-N 3.18Å; F464-C467 PolarHBondContact O-N 3.4Å; F464-C467 VanDerWaalsContact O-N 3.09Å |
| 465 | D | 80.2 | Confident | 83 | Confident | 131 Ų | 131 | 56.3 Ų | 56.3 | 70% | 0.701 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -59.3 | -24.6 | 176.2 | 51.1 | -46.5 | 0 | 0 | 0 | 112.8 | P463 C467 | P463-D465 WeakPolarHBondContact CB-OD1 3.34Å; P463-D465 PolarHBondContact O-N 3.5Å; D465-C467 VanDerWaalsContact C-N 3.28Å; D465-C467 PolarHBondContact O-N 3.27Å |
| 466 | V | 79 | Confident | 83 | Confident | 28 Ų | 28 | 56 Ų | 56 | 17% | 0.17 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -85 | 0.4 | 179.8 | -163.2 | 0 | 0 | 0 | 0 | 112 | P463 F464 R497 Q501 | P463-V466 HydrophobicContact CB-CG2 3.93Å; P463-V466 HydrophobicContact CG-CG2 4.13Å; P463-V466 PolarHBondContact O-N 3.2Å; F464-V466 PolarHBondContact O-N 3.18Å; V466-R497 HydrophobicContact CG1-CB 3.6Å; V466-Q501 VanDerWaalsContact O-CD 3.24Å; V466-Q501 PolarHBondContact O-NE2 3.21Å; V466-Q501 PolarHBondContact O-OE1 3.38Å |
| 467 | C | 72.6 | Confident | 83.5 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.02 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -105.5 | 14.3 | -178 | -63.3 | 0 | 0 | 0 | 0 | 114.5 | Y449 F464 D465 G469 E470 R500 | Y449-C467 HydrophobicContact CE2-CB 4.31Å; F464-C467 PolarHBondContact O-N 3.4Å; F464-C467 VanDerWaalsContact O-N 3.09Å; D465-C467 VanDerWaalsContact C-N 3.28Å; D465-C467 PolarHBondContact O-N 3.27Å; C467-G469 PolarHBondContact O-N 3.38Å; C467-E470 PolarHBondContact O-N 2.83Å; C467-R500 VanDerWaalsContact C-NH2 3.34Å; C467-R500 PolarHBondContact O-NH2 3.38Å |
| 468 | D | 67.6 | Low | 84 | Confident | 102 Ų | 102 | 42.3 Ų | 42.3 | 55% | 0.545 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 32.7 | -179.9 | -44.1 | -51.5 | 0 | 0 | 0 | 114.2 | E470 R500 Q501 | D468-E470 PolarHBondContact O-N 3.38Å; D468-R500 IonicContact OD2-CZ 3.42Å; D468-R500 IonicContact OD2-NE 3.22Å; D468-R500 PolarHBondContact OD2-NE 3.38Å; D468-R500 IonicContact OD2-NH2 2.74Å; D468-R500 PolarHBondContact OD2-NH2 2.95Å; D468-Q501 PolarHBondContact OD1-NE2 3.45Å |
| 469 | G | 65.9 | Low | 84.1 | Confident | 80 Ų | 80 | 42.2 Ų | 42.2 | 83% | 0.825 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 1.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | C467 | C467-G469 PolarHBondContact O-N 3.38Š|
| 470 | E | 69.7 | Low | 84.1 | Confident | 64 Ų | 64 | 40.7 Ų | 40.7 | 30% | 0.299 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -79.1 | 124.8 | 174.2 | -76.2 | -166.8 | 144.8 | 0 | 0 | 112.2 | K387 Y449 C467 D468 R500 | K387-E470 IonicContact NZ-OE1 3.3Å; K387-E470 PolarHBondContact NZ-OE1 3.2Å; Y449-E470 PolarHBondContact OH-O 3.04Å; C467-E470 PolarHBondContact O-N 2.83Å; D468-E470 PolarHBondContact O-N 3.38Å; E470-R500 IonicContact OE2-CZ 2.7Å; E470-R500 IonicContact OE2-NH1 2.72Å; E470-R500 PolarHBondContact OE2-NH1 3.42Å; E470-R500 IonicContact OE2-NH2 2.7Å |
| 471 | S | 76.9 | Confident | 84 | Confident | 102 Ų | 102 | 40.7 Ų | 40.7 | 71% | 0.713 | 24% | 0.242 | S | C | * | . | P | Polyproline II helix | trans | -74.6 | 121 | 168.4 | 169.3 | 0 | 0 | 0 | 0 | 110.1 | Y449 | Y449-S471 WeakPolarHBondContact OH-CA 3.49Š|
| 472 | L | 85.2 | Confident | 83.9 | Confident | 9 Ų | 9 | 38.1 Ų | 38.1 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -98.6 | 125 | -178.2 | -62.7 | 166.7 | 0 | 0 | 0 | 111.1 | V441 Y449 M462 K476 L478 | V441-L472 HydrophobicContact CG2-CB 4.11Å; Y449-L472 HydrophobicContact CD1-CB 4.28Å; Y449-L472 HydrophobicContact CD2-CD1 3.92Å; Y449-L472 HydrophobicContact CE1-CB 3.79Å; Y449-L472 HydrophobicContact CE2-CB 4.32Å; Y449-L472 HydrophobicContact CE2-CD1 3.72Å; Y449-L472 HydrophobicContact CE2-CG 4.19Å; Y449-L472 HydrophobicContact CG-CD1 4.4Å; Y449-L472 PolarHBondContact OH-N 3.32Å; M462-L472 HydrophobicContact CE-CD1 3.41Å; M462-L472 VanDerWaalsContact CE-CD1 3.41Å; L472-K476 HydrophobicContact CD2-CD 3.94Å; L472-L478 HydrophobicContact CD1-CD1 3.67Å; L472-L478 HydrophobicContact CD2-CD1 4.3Å; L472-L478 HydrophobicContact CD2-CD2 4.36Å |
| 473 | P | 86.7 | Confident | 83.6 | Confident | 39 Ų | 39 | 40.8 Ų | 40.8 | 25% | 0.253 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -75.6 | 146.5 | 178.5 | 27.8 | -31.3 | 0 | 0 | 0 | 112.3 | L385 G475 K476 | L385-P473 HydrophobicContact CD2-CG 4.26Å; P473-G475 PolarHBondContact O-N 3.42Å; P473-K476 HydrophobicContact CG-CB 4.22Å; P473-K476 HydrophobicContact CG-CD 4.32Å; P473-K476 VanDerWaalsContact O-CB 3.28Å; P473-K476 WeakPolarHBondContact O-CB 3.44Å; P473-K476 PolarHBondContact O-N 3.15Å; P473-K476 VanDerWaalsContact O-N 3.15Å |
| 474 | V | 84.4 | Confident | 83.1 | Confident | 60 Ų | 60 | 40 Ų | 40 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 131.5 | 175.7 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | P363 V441 R442 | P363-V474 HydrophobicContact CB-CG1 4.23Å; V441-V474 HydrophobicContact CG1-CG2 4.47Å; R442-V474 WeakPolarHBondContact O-CG1 3.41Å |
| 475 | G | 88.7 | Confident | 82.2 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96 | -13.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S361 V441 P473 V477 | S361-G475 WeakPolarHBondContact OG-CA 3.4Å; S361-G475 PolarHBondContact OG-O 2.82Å; V441-G475 PolarHBondContact O-N 3.03Å; P473-G475 PolarHBondContact O-N 3.42Å; G475-V477 PolarHBondContact O-N 2.99Å |
| 476 | K | 90.4 | Very high | 81.3 | Confident | 18 Ų | 18 | 41 Ų | 41 | 8% | 0.078 | 25% | 0.251 | C | S | . | . | trans | -63.1 | 131.8 | 175.2 | -174.3 | 166.3 | -178.1 | 140.8 | 0 | 110.7 | L385 F386 D390 A440 V441 L472 P473 L478 | L385-K476 HydrophobicContact CD2-CB 4.01Å; L385-K476 WeakPolarHBondContact O-CD 3.37Å; L385-K476 WeakPolarHBondContact O-CE 3.32Å; L385-K476 PolarHBondContact O-NZ 3.35Å; F386-K476 HydrophobicContact CE1-CG 4.33Å; D390-K476 IonicContact OD2-NZ 3.41Å; A440-K476 CarbonylContact C-O 3.6Å; A440-K476 WeakPolarHBondContact CA-O 3.5Å; V441-K476 HydrophobicContact CG2-CB 4.32Å; V441-K476 PolarHBondContact N-O 2.94Å; L472-K476 HydrophobicContact CD2-CD 3.94Å; P473-K476 HydrophobicContact CG-CB 4.22Å; P473-K476 HydrophobicContact CG-CD 4.32Å; P473-K476 VanDerWaalsContact O-CB 3.28Å; P473-K476 WeakPolarHBondContact O-CB 3.44Å; P473-K476 PolarHBondContact O-N 3.15Å; P473-K476 VanDerWaalsContact O-N 3.15Å; K476-L478 HydrophobicContact CD-CD2 4.38Å; K476-L478 HydrophobicContact CG-CD2 4.33Å | ||
| 477 | V | 92.2 | Very high | 80.6 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.024 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 135.3 | 175.5 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | I360 F386 A439 A440 G475 | I360-V477 HydrophobicContact CG2-CG2 3.99Å; I360-V477 VanDerWaalsContact O-CG2 3.26Å; I360-V477 WeakPolarHBondContact O-CG2 3.28Å; F386-V477 HydrophobicContact CZ-CB 4.37Å; A439-V477 CarbonylContact O-C 3.48Å; A439-V477 WeakPolarHBondContact O-CA 3.41Å; A440-V477 HydrophobicContact CB-CG2 4.1Å; G475-V477 PolarHBondContact O-N 2.99Å |
| 478 | L | 89.8 | Confident | 79.7 | Confident | 29 Ų | 29 | 50.9 Ų | 50.9 | 15% | 0.152 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 151.4 | -178.7 | -61.6 | 167.3 | 0 | 0 | 0 | 109.6 | A439 V441 M462 L472 K476 | A439-L478 PolarHBondContact N-O 3.42Å; A439-L478 PolarHBondContact O-N 2.92Å; V441-L478 HydrophobicContact CG2-CD1 4.3Å; M462-L478 HydrophobicContact CE-CD1 3.72Å; L472-L478 HydrophobicContact CD1-CD1 3.67Å; L472-L478 HydrophobicContact CD2-CD1 4.3Å; L472-L478 HydrophobicContact CD2-CD2 4.36Å; K476-L478 HydrophobicContact CD-CD2 4.38Å; K476-L478 HydrophobicContact CG-CD2 4.33Å |
| 479 | I | 90.9 | Very high | 79.1 | Confident | 15 Ų | 15 | 53.5 Ų | 53.5 | 8% | 0.077 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 120 | 165.3 | -49.7 | 176.8 | 0 | 0 | 0 | 106.9 | I332 L391 C393 V436 L499 | I332-I479 HydrophobicContact CD1-CD1 4.33Å; I332-I479 HydrophobicContact CG1-CD1 4.24Å; L391-I479 HydrophobicContact CB-CD1 4.38Å; C393-I479 HydrophobicContact CB-CD1 4.33Å; C393-I479 HydrophobicContact CB-CG1 4.29Å; V436-I479 HydrophobicContact CG1-CG2 3.48Å; V436-I479 VanDerWaalsContact CG1-CG2 3.48Å; I479-L499 HydrophobicContact CB-CB 4.23Å; I479-L499 HydrophobicContact CB-CD2 4.23Å; I479-L499 HydrophobicContact CG2-CB 4.05Å; I479-L499 HydrophobicContact CG2-CD2 3.5Å; I479-L499 HydrophobicContact CG2-CG 4.38Å; I479-L499 VanDerWaalsContact O-CB 3.24Å; I479-L499 WeakPolarHBondContact O-CB 3.3Å; I479-L499 PolarHBondContact O-N 3.32Å |
| 480 | C | 91.8 | Very high | 78.6 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 158.6 | -176.2 | -65.9 | 0 | 0 | 0 | 0 | 110.9 | V436 I437 A439 L496 R497 | V436-C480 WeakPolarHBondContact CA-O 3.14Å; I437-C480 HydrophobicContact CG2-CB 4.23Å; I437-C480 PolarHBondContact N-O 3.31Å; I437-C480 PolarHBondContact O-N 2.78Å; A439-C480 HydrophobicContact CB-CB 4.41Å; C480-L496 HydrophobicContact CB-CB 4.18Å; C480-L496 HydrophobicContact CB-CD1 4.14Å; C480-R497 CarbonylContact C-O 3.36Å; C480-R497 VanDerWaalsContact CA-O 3.28Å; C480-R497 WeakPolarHBondContact CA-O 3.47Å |
| 481 | S | 89.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 146.6 | 165.9 | 79.6 | 0 | 0 | 0 | 0 | 110.4 | A435 L496 R497 L502 | A435-S481 WeakPolarHBondContact O-CA 3.45Å; S481-L496 WeakPolarHBondContact O-CA 3.24Å; S481-R497 PolarHBondContact N-O 3.33Å; S481-R497 PolarHBondContact O-N 2.97Å; S481-R497 VanDerWaalsContact O-N 3.09Å; S481-R497 WeakPolarHBondContact OG-CG 3.45Å; S481-R497 PolarHBondContact OG-NE 3.01Å; S481-L502 WeakPolarHBondContact OG-CD1 3.49Å |
| 482 | V | 90.5 | Very high | 78.9 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 125.9 | 173 | 174 | 0 | 0 | 0 | 0 | 110.5 | R432 R434 A435 I437 D484 F487 I494 L496 | R432-V482 WeakPolarHBondContact O-CB 3.44Å; R432-V482 WeakPolarHBondContact O-CG1 3.42Å; R434-V482 PolarHBondContact N-O 2.82Å; A435-V482 HydrophobicContact CB-CB 4.43Å; A435-V482 HydrophobicContact CB-CG2 4.11Å; A435-V482 PolarHBondContact O-N 3.12Å; I437-V482 HydrophobicContact CG2-CG2 4.42Å; V482-D484 HydrophobicContact CG1-CB 4.49Å; V482-F487 HydrophobicContact CG1-CE2 3.91Å; V482-F487 HydrophobicContact CG1-CZ 3.49Å; V482-F487 VanDerWaalsContact CG1-CZ 3.49Å; V482-I494 HydrophobicContact CG1-CG2 4.17Å; V482-I494 HydrophobicContact CG2-CG2 4.47Å; V482-L496 HydrophobicContact CG2-CD2 3.96Å |
| 483 | V | 86.6 | Confident | 78.9 | Confident | 56 Ų | 56 | 63 Ų | 63 | 34% | 0.339 | 33% | 0.328 | S | S | . | . | trans | -97 | -24.5 | 178.6 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | H433 E485 S495 R497 | H433-V483 PolarHBondContact CD2-O 3.35Å; H433-V483 VanDerWaalsContact CD2-O 3.23Å; V483-E485 PolarHBondContact O-N 2.87Å; V483-S495 PolarHBondContact N-O 3.06Å; V483-R497 HydrophobicContact CG2-CB 3.85Å; V483-R497 HydrophobicContact CG2-CG 3.54Å | ||
| 484 | D | 80 | Confident | 79 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 10% | 0.102 | 32% | 0.317 | C | S | . | . | trans | -65 | 127.4 | -178.9 | -69.9 | -31.4 | 0 | 0 | 0 | 111 | H433 V482 F487 I494 S495 | H433-D484 WeakPolarHBondContact CB-O 3.38Å; V482-D484 HydrophobicContact CG1-CB 4.49Å; D484-F487 HydrophobicContact CB-CE2 4.24Å; D484-F487 HydrophobicContact CB-CZ 4.13Å; D484-F487 WeakPolarHBondContact O-CE2 3.12Å; D484-I494 WeakPolarHBondContact OD2-CA 3.5Å; D484-S495 WeakPolarHBondContact OD1-CB 3.22Å; D484-S495 PolarHBondContact OD1-OG 3.39Å; D484-S495 PolarHBondContact OD2-N 3.07Å | ||
| 485 | E | 68.2 | Low | 79.3 | Confident | 161 Ų | 161 | 60.6 Ų | 60.6 | 75% | 0.752 | 31% | 0.314 | S | S | * | . | trans | -85.5 | -31 | 176.4 | -68.4 | -177.5 | 170.9 | 0 | 0 | 112.5 | H433 V483 | H433-E485 VanDerWaalsContact CD2-CG 3.49Å; H433-E485 WeakPolarHBondContact CD2-CG 3.07Å; V483-E485 PolarHBondContact O-N 2.87Å | ||
| 486 | S | 61 | Low | 79.5 | Confident | 71 Ų | 71 | 60.8 Ų | 60.8 | 50% | 0.497 | 32% | 0.315 | S | S | . | . | trans | -106.9 | 119.9 | -174.5 | 55.4 | 0 | 0 | 0 | 0 | 113 | K491 | S486-K491 PolarHBondContact O-NZ 3.25Å; S486-K491 PolarHBondContact OG-NZ 3.03Å | ||
| 487 | F | 62.9 | Low | 79.4 | Confident | 40 Ų | 40 | 62.2 Ų | 62.2 | 18% | 0.175 | 32% | 0.32 | C | S | . | . | trans | -117.3 | 10.5 | -179.7 | -78.8 | -83.9 | 0 | 0 | 0 | 114 | L431 V482 D484 E489 I494 | L431-F487 HydrophobicContact CB-CD1 4.41Å; L431-F487 HydrophobicContact CB-CE1 3.68Å; L431-F487 HydrophobicContact CB-CZ 3.91Å; L431-F487 WeakPolarHBondContact O-CD1 3.19Å; L431-F487 VanDerWaalsContact O-CD2 3.27Å; L431-F487 WeakPolarHBondContact O-CD2 3.47Å; L431-F487 WeakPolarHBondContact O-CE2 3.47Å; L431-F487 VanDerWaalsContact O-CG 3.24Å; L431-F487 WeakPolarHBondContact O-CG 3.21Å; V482-F487 HydrophobicContact CG1-CE2 3.91Å; V482-F487 HydrophobicContact CG1-CZ 3.49Å; V482-F487 VanDerWaalsContact CG1-CZ 3.49Å; D484-F487 HydrophobicContact CB-CE2 4.24Å; D484-F487 HydrophobicContact CB-CZ 4.13Å; D484-F487 WeakPolarHBondContact O-CE2 3.12Å; F487-E489 PolarHBondContact O-N 3.33Å; F487-I494 HydrophobicContact CE1-CD1 4.49Å | ||
| 488 | E | 54.6 | Low | 79.2 | Confident | 199 Ų | 199 | 62.4 Ų | 62.4 | 93% | 0.93 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -65.6 | -24.4 | -177.7 | -67.1 | -173.4 | 161.6 | 0 | 0 | 113.1 | ||
| 489 | E | 53.9 | Low | 78.9 | Confident | 157 Ų | 157 | 61.5 Ų | 61.5 | 73% | 0.734 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -112.1 | 140 | 174.7 | -66.4 | -178.6 | 172.1 | 0 | 0 | 111 | F487 K491 | F487-E489 PolarHBondContact O-N 3.33Å; E489-K491 VanDerWaalsContact C-N 3.26Å; E489-K491 PolarHBondContact O-N 3.4Å |
| 490 | A | 57.4 | Low | 78.1 | Confident | 108 Ų | 108 | 65.1 Ų | 65.1 | 89% | 0.893 | 33% | 0.33 | S | S | * | . | trans | -67 | 80.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R492 | A490-R492 PolarHBondContact O-N 3.03Š| ||
| 491 | K | 68.1 | Low | 76.9 | Confident | 77 Ų | 77 | 66.9 Ų | 66.9 | 34% | 0.335 | 34% | 0.338 | S | S | . | . | trans | -67 | 124.7 | 174.8 | -72.6 | 176.1 | -179.7 | 164.1 | 0 | 109.9 | S486 E489 V493 | S486-K491 PolarHBondContact O-NZ 3.25Å; S486-K491 PolarHBondContact OG-NZ 3.03Å; E489-K491 VanDerWaalsContact C-N 3.26Å; E489-K491 PolarHBondContact O-N 3.4Å; K491-V493 VanDerWaalsContact C-N 3.27Å | ||
| 492 | R | 83.4 | Confident | 75.8 | Confident | 199 Ų | 199 | 67.3 Ų | 67.3 | 75% | 0.751 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -74.1 | -20.3 | 172.7 | -69.1 | -174.6 | -179.5 | -175.9 | 0.1 | 112.9 | V458 L459 A490 | V458-R492 WeakPolarHBondContact CA-O 3.23Å; L459-R492 PolarHBondContact N-O 3.33Å; A490-R492 PolarHBondContact O-N 3.03Å |
| 493 | V | 86.4 | Confident | 74.5 | Confident | 70 Ų | 70 | 68 Ų | 68 | 42% | 0.424 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125.8 | -179.6 | -176 | 0 | 0 | 0 | 0 | 108.2 | L459 F461 K491 | L459-V493 CarbonylContact O-C 3.5Å; L459-V493 VanDerWaalsContact O-CA 3.27Å; L459-V493 WeakPolarHBondContact O-CA 3.03Å; F461-V493 HydrophobicContact CB-CG1 3.49Å; F461-V493 VanDerWaalsContact CB-CG1 3.49Å; K491-V493 VanDerWaalsContact C-N 3.27Å |
| 494 | I | 88.9 | Confident | 73.1 | Confident | 4 Ų | 4 | 68.7 Ų | 68.7 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 130.3 | -176.8 | -58.4 | 177.3 | 0 | 0 | 0 | 109 | L431 L453 V458 L459 G460 F461 V482 D484 F487 L496 | L431-I494 HydrophobicContact CD1-CD1 3.4Å; L431-I494 VanDerWaalsContact CD1-CD1 3.4Å; L453-I494 HydrophobicContact CD1-CD1 4.4Å; V458-I494 HydrophobicContact CG1-CD1 3.67Å; V458-I494 HydrophobicContact CG1-CG1 4.03Å; L459-I494 PolarHBondContact O-N 3.35Å; G460-I494 CarbonylContact C-O 3.53Å; G460-I494 VanDerWaalsContact CA-O 3.28Å; G460-I494 WeakPolarHBondContact CA-O 3.37Å; F461-I494 PolarHBondContact N-O 3.43Å; V482-I494 HydrophobicContact CG1-CG2 4.17Å; V482-I494 HydrophobicContact CG2-CG2 4.47Å; D484-I494 WeakPolarHBondContact OD2-CA 3.5Å; F487-I494 HydrophobicContact CE1-CD1 4.49Å; I494-L496 HydrophobicContact CG2-CD2 4.16Å |
| 495 | S | 89.9 | Confident | 71.7 | Confident | 45 Ų | 45 | 73.7 Ų | 73.7 | 32% | 0.315 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 127 | 178.5 | -47.3 | 0 | 0 | 0 | 0 | 110.7 | V483 D484 | V483-S495 PolarHBondContact N-O 3.06Å; D484-S495 WeakPolarHBondContact OD1-CB 3.22Å; D484-S495 PolarHBondContact OD1-OG 3.39Å; D484-S495 PolarHBondContact OD2-N 3.07Å |
| 496 | L | 92.2 | Very high | 71 | Confident | 3 Ų | 3 | 74 Ų | 74 | 2% | 0.016 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 153.2 | -176.9 | -62.2 | -177.4 | 0 | 0 | 0 | 111.6 | I437 A439 L451 L453 F461 C480 S481 V482 I494 | I437-L496 HydrophobicContact CG2-CD1 4.36Å; I437-L496 HydrophobicContact CG2-CD2 3.96Å; A439-L496 HydrophobicContact CB-CD1 4.15Å; L451-L496 HydrophobicContact CD1-CB 4.21Å; L451-L496 HydrophobicContact CD1-CD1 3.75Å; L453-L496 HydrophobicContact CD2-CD1 3.51Å; F461-L496 PolarHBondContact O-N 3.35Å; C480-L496 HydrophobicContact CB-CB 4.18Å; C480-L496 HydrophobicContact CB-CD1 4.14Å; S481-L496 WeakPolarHBondContact O-CA 3.24Å; V482-L496 HydrophobicContact CG2-CD2 3.96Å; I494-L496 HydrophobicContact CG2-CD2 4.16Å |
| 497 | R | 89.3 | Confident | 70.4 | Confident | 48 Ų | 48 | 74.2 Ų | 74.2 | 18% | 0.181 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 150.7 | 167.1 | 63.2 | -177.2 | 159.9 | -177.6 | -13.8 | 111 | V466 C480 S481 V483 L499 | V466-R497 HydrophobicContact CG1-CB 3.6Å; C480-R497 CarbonylContact C-O 3.36Å; C480-R497 VanDerWaalsContact CA-O 3.28Å; C480-R497 WeakPolarHBondContact CA-O 3.47Å; S481-R497 PolarHBondContact N-O 3.33Å; S481-R497 PolarHBondContact O-N 2.97Å; S481-R497 VanDerWaalsContact O-N 3.09Å; S481-R497 WeakPolarHBondContact OG-CG 3.45Å; S481-R497 PolarHBondContact OG-NE 3.01Å; V483-R497 HydrophobicContact CG2-CB 3.85Å; V483-R497 HydrophobicContact CG2-CG 3.54Å; R497-L499 PolarHBondContact O-N 2.61Å |
| 498 | P | 88 | Confident | 70 | Confident | 9 Ų | 9 | 77.9 Ų | 77.9 | 6% | 0.058 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 135.9 | 174.5 | -21.3 | 34.1 | 0 | 0 | 0 | 111.4 | M462 R500 Q501 | M462-P498 HydrophobicContact CE-CG 4.46Å; M462-P498 VanDerWaalsContact SD-CD 3.57Å; M462-P498 HydrophobicContact SD-CG 3.61Å; P498-R500 HydrophobicContact CB-CG 4.05Å; P498-R500 PolarHBondContact O-N 2.99Å; P498-R500 VanDerWaalsContact O-N 3.16Å; P498-Q501 PolarHBondContact O-N 2.99Å |
| 499 | L | 84.1 | Confident | 70 | Confident | 10 Ų | 10 | 69.8 Ų | 69.8 | 5% | 0.052 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.7 | -27.1 | 177.9 | -174.1 | 66.5 | 0 | 0 | 0 | 112 | V436 I479 R497 Q501 L502 L503 | V436-L499 HydrophobicContact CG1-CD2 4.46Å; V436-L499 HydrophobicContact CG2-CD1 4.15Å; I479-L499 HydrophobicContact CB-CB 4.23Å; I479-L499 HydrophobicContact CB-CD2 4.23Å; I479-L499 HydrophobicContact CG2-CB 4.05Å; I479-L499 HydrophobicContact CG2-CD2 3.5Å; I479-L499 HydrophobicContact CG2-CG 4.38Å; I479-L499 VanDerWaalsContact O-CB 3.24Å; I479-L499 WeakPolarHBondContact O-CB 3.3Å; I479-L499 PolarHBondContact O-N 3.32Å; R497-L499 PolarHBondContact O-N 2.61Å; L499-Q501 PolarHBondContact O-N 3.49Å; L499-L502 HydrophobicContact CD1-CB 4.39Å; L499-L502 HydrophobicContact CD1-CD1 4.23Å; L499-L502 WeakPolarHBondContact O-CB 3.4Å; L499-L502 PolarHBondContact O-N 3.41Å; L499-L502 VanDerWaalsContact O-N 3.15Å; L499-L503 HydrophobicContact CG-CD1 4.44Å; L499-L503 WeakPolarHBondContact O-CG 3.41Å; L499-L503 PolarHBondContact O-N 3.35Å |
| 500 | R | 72.8 | Confident | 70.5 | Confident | 90 Ų | 90 | 68.6 Ų | 68.6 | 34% | 0.34 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.6 | -33.5 | 179.8 | 78.5 | 176.9 | -170.1 | -162 | -2.3 | 113.7 | C467 D468 E470 P498 L503 S504 | C467-R500 VanDerWaalsContact C-NH2 3.34Å; C467-R500 PolarHBondContact O-NH2 3.38Å; D468-R500 IonicContact OD2-CZ 3.42Å; D468-R500 IonicContact OD2-NE 3.22Å; D468-R500 PolarHBondContact OD2-NE 3.38Å; D468-R500 IonicContact OD2-NH2 2.74Å; D468-R500 PolarHBondContact OD2-NH2 2.95Å; E470-R500 IonicContact OE2-CZ 2.7Å; E470-R500 IonicContact OE2-NH1 2.72Å; E470-R500 PolarHBondContact OE2-NH1 3.42Å; E470-R500 IonicContact OE2-NH2 2.7Å; P498-R500 HydrophobicContact CB-CG 4.05Å; P498-R500 PolarHBondContact O-N 2.99Å; P498-R500 VanDerWaalsContact O-N 3.16Å; R500-L503 WeakPolarHBondContact O-CB 3.41Å; R500-L503 PolarHBondContact O-N 3.44Å; R500-S504 PolarHBondContact O-N 3.31Å |
| 501 | Q | 67.7 | Low | 71.2 | Confident | 37 Ų | 37 | 64.2 Ų | 64.2 | 17% | 0.173 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -74.5 | -33.6 | 180 | -78.4 | -173.8 | -23.5 | 0 | 0 | 112 | V466 D468 P498 L499 L503 S504 | V466-Q501 VanDerWaalsContact O-CD 3.24Å; V466-Q501 PolarHBondContact O-NE2 3.21Å; V466-Q501 PolarHBondContact O-OE1 3.38Å; D468-Q501 PolarHBondContact OD1-NE2 3.45Å; P498-Q501 PolarHBondContact O-N 2.99Å; L499-Q501 PolarHBondContact O-N 3.49Å; Q501-L503 PolarHBondContact O-N 3.45Å; Q501-S504 WeakPolarHBondContact CA-OG 3.26Å; Q501-S504 PolarHBondContact O-N 3.11Å; Q501-S504 VanDerWaalsContact O-N 3.12Å; Q501-S504 PolarHBondContact O-OG 2.82Å |
| 502 | L | 65.3 | Low | 71.2 | Confident | 10 Ų | 10 | 68.1 Ų | 68.1 | 5% | 0.052 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.5 | -20.7 | 170.1 | -95.5 | 156.9 | 0 | 0 | 0 | 112.7 | S481 L499 | S481-L502 WeakPolarHBondContact OG-CD1 3.49Å; L499-L502 HydrophobicContact CD1-CB 4.39Å; L499-L502 HydrophobicContact CD1-CD1 4.23Å; L499-L502 WeakPolarHBondContact O-CB 3.4Å; L499-L502 PolarHBondContact O-N 3.41Å; L499-L502 VanDerWaalsContact O-N 3.15Å |
| 503 | L | 64.4 | Low | 70.1 | Confident | 16 Ų | 16 | 64 Ų | 64 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -4.3 | 178.1 | -58.1 | 170.1 | 0 | 0 | 0 | 112.8 | L499 R500 Q501 T525 M574 L594 | L499-L503 HydrophobicContact CG-CD1 4.44Å; L499-L503 WeakPolarHBondContact O-CG 3.41Å; L499-L503 PolarHBondContact O-N 3.35Å; R500-L503 WeakPolarHBondContact O-CB 3.41Å; R500-L503 PolarHBondContact O-N 3.44Å; Q501-L503 PolarHBondContact O-N 3.45Å; L503-T525 HydrophobicContact CD2-CG2 3.84Å; L503-M574 HydrophobicContact CD1-CE 4.04Å; L503-M574 HydrophobicContact CD2-CE 3.69Å; L503-L594 VanDerWaalsContact CD2-O 3.24Å; L503-L594 WeakPolarHBondContact CD2-O 3.47Å |
| 504 | S | 56.8 | Low | 69.2 | Low | 70 Ų | 70 | 67.2 Ų | 67.2 | 49% | 0.49 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -17.7 | 177.7 | 52.6 | 0 | 0 | 0 | 0 | 114.3 | R500 Q501 | R500-S504 PolarHBondContact O-N 3.31Å; Q501-S504 WeakPolarHBondContact CA-OG 3.26Å; Q501-S504 PolarHBondContact O-N 3.11Å; Q501-S504 VanDerWaalsContact O-N 3.12Å; Q501-S504 PolarHBondContact O-OG 2.82Å |
| 505 | E | 50.8 | Low | 68.9 | Low | 124 Ų | 124 | 67.7 Ų | 67.7 | 58% | 0.579 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -112.1 | 146.5 | -171.6 | -68.3 | -177.3 | 158.5 | 0 | 0 | 113.1 | D507 | E505-D507 HydrophobicContact CB-CB 4.29Å; E505-D507 PolarHBondContact O-N 2.91Å |
| 506 | N | 53.3 | Low | 68.6 | Low | 168 Ų | 168 | 67.7 Ų | 67.7 | 90% | 0.898 | 35% | 0.348 | S | S | * | . | trans | -70.1 | 30.7 | 172 | -94.9 | -12.4 | 0 | 0 | 0 | 112.5 | ||||
| 507 | D | 48.4 | Very low | 68.1 | Low | 74 Ų | 74 | 71.4 Ų | 71.4 | 40% | 0.396 | 37% | 0.368 | S | S | . | . | trans | -69.2 | 138.1 | -172.6 | -134.8 | 14.6 | 0 | 0 | 0 | 109.6 | E505 N509 | E505-D507 HydrophobicContact CB-CB 4.29Å; E505-D507 PolarHBondContact O-N 2.91Å; D507-N509 VanDerWaalsContact C-N 3.31Å; D507-N509 PolarHBondContact O-N 2.94Å | ||
| 508 | N | 54.1 | Low | 67.9 | Low | 117 Ų | 117 | 74.2 Ų | 74.2 | 63% | 0.626 | 38% | 0.384 | S | S | * | . | trans | -64.7 | 93.4 | 179.2 | -86 | -31.3 | 0 | 0 | 0 | 109.1 | R434 E510 | R434-N508 PolarHBondContact NH1-O 3.44Å; R434-N508 PolarHBondContact NH2-O 2.86Å; N508-E510 PolarHBondContact O-N 2.68Å | ||
| 509 | N | 55.5 | Low | 67.9 | Low | 29 Ų | 29 | 73.9 Ų | 73.9 | 16% | 0.155 | 38% | 0.382 | C | S | . | . | trans | -74.6 | 46.3 | -179.1 | -78.5 | -28 | 0 | 0 | 0 | 112.8 | D507 L511 | D507-N509 VanDerWaalsContact C-N 3.31Å; D507-N509 PolarHBondContact O-N 2.94Å; N509-L511 PolarHBondContact O-N 2.79Å | ||
| 510 | E | 63 | Low | 68.1 | Low | 132 Ų | 132 | 73.9 Ų | 73.9 | 62% | 0.617 | 38% | 0.383 | S | S | * | . | trans | -81.2 | 112.4 | 170.7 | -76.5 | 176.4 | -170.8 | 0 | 0 | 109.4 | R434 N508 K527 | R434-E510 PolarHBondContact NH1-O 2.85Å; N508-E510 PolarHBondContact O-N 2.68Å; E510-K527 HydrophobicContact CG-CD 4.48Å | ||
| 511 | L | 73.7 | Confident | 69 | Low | 17 Ų | 17 | 69.7 Ų | 69.7 | 9% | 0.089 | 37% | 0.367 | C | S | . | . | trans | -72.5 | 143 | 162.8 | -80.7 | 156.2 | 0 | 0 | 0 | 108 | R434 N509 F515 L524 T525 A526 P543 | R434-L511 HydrophobicContact CB-CD2 4.47Å; N509-L511 PolarHBondContact O-N 2.79Å; L511-F515 HydrophobicContact CD2-CD1 4.47Å; L511-F515 HydrophobicContact CD2-CD2 3.59Å; L511-F515 HydrophobicContact CD2-CE2 3.75Å; L511-F515 HydrophobicContact CD2-CG 3.97Å; L511-F515 HydrophobicContact CD2-CZ 4.25Å; L511-L524 HydrophobicContact CD1-CD1 4.2Å; L511-L524 HydrophobicContact CD1-CD2 4.24Å; L511-L524 HydrophobicContact CD1-CG 4.21Å; L511-L524 HydrophobicContact CD2-CD1 4.16Å; L511-T525 VanDerWaalsContact CD1-O 3.27Å; L511-T525 WeakPolarHBondContact CD1-O 3.3Å; L511-A526 HydrophobicContact CD1-CB 3.67Å; L511-P543 HydrophobicContact CB-CB 4.47Å | ||
| 512 | Q | 66.7 | Low | 70.1 | Confident | 158 Ų | 158 | 67.9 Ų | 67.9 | 74% | 0.738 | 36% | 0.358 | S | S | * | . | trans | -59.4 | 143.1 | 170.4 | -71.6 | 179.8 | -5.5 | 0 | 0 | 109.7 | D514 F515 | Q512-D514 PolarHBondContact O-N 3.45Å; Q512-F515 WeakPolarHBondContact O-CB 3.33Å; Q512-F515 PolarHBondContact O-N 3.39Å | ||
| 513 | V | 61.6 | Low | 71.2 | Confident | 114 Ų | 114 | 67.4 Ų | 67.4 | 69% | 0.691 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -27.3 | -179.5 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | F515 | V513-F515 VanDerWaalsContact C-N 3.34Å; V513-F515 PolarHBondContact O-N 3.14Å |
| 514 | D | 67.9 | Low | 72.4 | Confident | 137 Ų | 137 | 66.9 Ų | 66.9 | 73% | 0.733 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 20.7 | -172.1 | -45.6 | -6.7 | 0 | 0 | 0 | 112.6 | Q512 P516 | Q512-D514 PolarHBondContact O-N 3.45Å; D514-P516 VanDerWaalsContact O-CD 3.3Å; D514-P516 WeakPolarHBondContact O-CD 3.39Å |
| 515 | F | 82.2 | Confident | 73.9 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 6% | 0.061 | 33% | 0.334 | C | S | . | . | trans | -65.3 | 119.4 | -176.5 | -167.1 | -95.5 | 0 | 0 | 0 | 111.6 | A435 L511 Q512 V513 L517 L519 V520 L524 F544 | A435-F515 HydrophobicContact CB-CZ 4.4Å; L511-F515 HydrophobicContact CD2-CD1 4.47Å; L511-F515 HydrophobicContact CD2-CD2 3.59Å; L511-F515 HydrophobicContact CD2-CE2 3.75Å; L511-F515 HydrophobicContact CD2-CG 3.97Å; L511-F515 HydrophobicContact CD2-CZ 4.25Å; Q512-F515 WeakPolarHBondContact O-CB 3.33Å; Q512-F515 PolarHBondContact O-N 3.39Å; V513-F515 VanDerWaalsContact C-N 3.34Å; V513-F515 PolarHBondContact O-N 3.14Å; F515-L517 PolarHBondContact O-N 3.26Å; F515-L519 HydrophobicContact CD1-CB 4.35Å; F515-L519 HydrophobicContact CE1-CB 3.48Å; F515-L519 VanDerWaalsContact CE1-CB 3.48Å; F515-L519 HydrophobicContact CE2-CB 4.47Å; F515-L519 HydrophobicContact CE2-CD1 4.2Å; F515-L519 HydrophobicContact CZ-CB 3.56Å; F515-L519 HydrophobicContact CZ-CD1 4.07Å; F515-L519 HydrophobicContact CZ-CG 4.49Å; F515-V520 HydrophobicContact CD1-CG2 4.43Å; F515-V520 HydrophobicContact CE1-CG2 4.41Å; F515-L524 HydrophobicContact CD1-CD2 4.35Å; F515-L524 HydrophobicContact CE1-CD2 3.74Å; F515-L524 HydrophobicContact CZ-CD1 4.29Å; F515-L524 HydrophobicContact CZ-CD2 4.33Å; F515-F544 HydrophobicContact CB-CB 4.35Å; F515-F544 HydrophobicContact CD1-CD1 4.45Å; F515-F544 WeakPolarHBondContact O-CB 3.24Å | ||
| 516 | P | 82.4 | Confident | 75.7 | Confident | 44 Ų | 44 | 58.6 Ų | 58.6 | 29% | 0.286 | 31% | 0.308 | S | S | . | . | trans | -62.2 | 132.6 | -174.5 | -23.2 | 31.7 | 0 | 0 | 0 | 113 | D514 M518 L519 | D514-P516 VanDerWaalsContact O-CD 3.3Å; D514-P516 WeakPolarHBondContact O-CD 3.39Å; P516-M518 HydrophobicContact CB-CG 3.98Å; P516-M518 HydrophobicContact CB-SD 4.29Å; P516-M518 PolarHBondContact O-N 3.25Å; P516-M518 VanDerWaalsContact O-N 3.12Å; P516-L519 HydrophobicContact CB-CD1 4.27Å; P516-L519 HydrophobicContact CB-CG 4.19Å; P516-L519 HydrophobicContact CG-CD1 3.99Å; P516-L519 HydrophobicContact CG-CG 4.44Å; P516-L519 WeakPolarHBondContact O-CB 3.1Å; P516-L519 PolarHBondContact O-N 3.4Å | ||
| 517 | L | 82.2 | Confident | 77.3 | Confident | 81 Ų | 81 | 53 Ų | 53 | 42% | 0.424 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -56.5 | -33.7 | -179.2 | -159.2 | 82.8 | 0 | 0 | 0 | 113 | F515 L519 V520 F544 Q546 T583 | F515-L517 PolarHBondContact O-N 3.26Å; L517-L519 PolarHBondContact O-N 3.31Å; L517-V520 VanDerWaalsContact O-CB 3.3Å; L517-V520 WeakPolarHBondContact O-CB 3.33Å; L517-V520 WeakPolarHBondContact O-CG2 3.11Å; L517-V520 PolarHBondContact O-N 2.67Å; L517-V520 VanDerWaalsContact O-N 3.1Å; L517-F544 HydrophobicContact CD1-CD2 4.03Å; L517-Q546 HydrophobicContact CD1-CG 3.34Å; L517-T583 HydrophobicContact CD2-CG2 4.12Å |
| 518 | M | 85.1 | Confident | 79.3 | Confident | 107 Ų | 107 | 49.5 Ų | 49.5 | 53% | 0.527 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -65.4 | -18 | 178.1 | 65.7 | -148.4 | -61.4 | 0 | 0 | 114.2 | L426 P516 | L426-M518 WeakPolarHBondContact CD2-O 3.39Å; P516-M518 HydrophobicContact CB-CG 3.98Å; P516-M518 HydrophobicContact CB-SD 4.29Å; P516-M518 PolarHBondContact O-N 3.25Å; P516-M518 VanDerWaalsContact O-N 3.12Å |
| 519 | L | 87.1 | Confident | 80.9 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -90 | -1 | 175.6 | -61.6 | -179.5 | 0 | 0 | 0 | 112.9 | L426 A430 L431 R432 A435 F515 P516 L517 M521 | L426-L519 HydrophobicContact CD2-CD2 4.03Å; A430-L519 HydrophobicContact CB-CD2 4.43Å; A430-L519 VanDerWaalsContact O-CD1 3.25Å; A430-L519 WeakPolarHBondContact O-CD1 3.15Å; A430-L519 WeakPolarHBondContact O-CD2 3.38Å; L431-L519 HydrophobicContact CD2-CD2 4.37Å; R432-L519 HydrophobicContact CB-CD1 3.94Å; R432-L519 HydrophobicContact CG-CD1 3.9Å; A435-L519 HydrophobicContact CB-CD1 4.3Å; F515-L519 HydrophobicContact CD1-CB 4.35Å; F515-L519 HydrophobicContact CE1-CB 3.48Å; F515-L519 VanDerWaalsContact CE1-CB 3.48Å; F515-L519 HydrophobicContact CE2-CB 4.47Å; F515-L519 HydrophobicContact CE2-CD1 4.2Å; F515-L519 HydrophobicContact CZ-CB 3.56Å; F515-L519 HydrophobicContact CZ-CD1 4.07Å; F515-L519 HydrophobicContact CZ-CG 4.49Å; P516-L519 HydrophobicContact CB-CD1 4.27Å; P516-L519 HydrophobicContact CB-CG 4.19Å; P516-L519 HydrophobicContact CG-CD1 3.99Å; P516-L519 HydrophobicContact CG-CG 4.44Å; P516-L519 WeakPolarHBondContact O-CB 3.1Å; P516-L519 PolarHBondContact O-N 3.4Å; L517-L519 PolarHBondContact O-N 3.31Å; L519-M521 PolarHBondContact O-N 3.5Å |
| 520 | V | 89 | Confident | 82.6 | Confident | 11 Ų | 11 | 44.9 Ų | 44.9 | 7% | 0.067 | 24% | 0.235 | C | C | . | . | trans | -74.4 | 97.9 | 179.9 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | F515 L517 L524 F544 V575 C578 L585 | F515-V520 HydrophobicContact CD1-CG2 4.43Å; F515-V520 HydrophobicContact CE1-CG2 4.41Å; L517-V520 VanDerWaalsContact O-CB 3.3Å; L517-V520 WeakPolarHBondContact O-CB 3.33Å; L517-V520 WeakPolarHBondContact O-CG2 3.11Å; L517-V520 PolarHBondContact O-N 2.67Å; L517-V520 VanDerWaalsContact O-N 3.1Å; V520-L524 HydrophobicContact CB-CD2 4.49Å; V520-L524 HydrophobicContact CG1-CD2 4.33Å; V520-L524 HydrophobicContact CG2-CD2 4.26Å; V520-F544 HydrophobicContact CG1-CE2 4.48Å; V520-F544 HydrophobicContact CG1-CZ 4.2Å; V520-F544 HydrophobicContact CG2-CD1 4.4Å; V520-F544 HydrophobicContact CG2-CD2 4.11Å; V520-F544 HydrophobicContact CG2-CE1 4.21Å; V520-F544 HydrophobicContact CG2-CE2 3.9Å; V520-F544 HydrophobicContact CG2-CG 4.34Å; V520-F544 HydrophobicContact CG2-CZ 3.94Å; V520-V575 HydrophobicContact CG1-CG1 4.3Å; V520-V575 HydrophobicContact CG1-CG2 4.05Å; V520-C578 PolarHBondContact O-SG 3.36Å; V520-C578 VanDerWaalsContact O-SG 3.35Å; V520-L585 HydrophobicContact CG1-CD1 3.86Å; V520-L585 HydrophobicContact CG1-CD2 3.83Å | ||
| 521 | M | 91.1 | Very high | 83.8 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | trans | -109.3 | 150.8 | -178.4 | -77.8 | -72.2 | -88.1 | 0 | 0 | 111.8 | L330 V422 H425 V436 L519 G523 L524 | L330-M521 HydrophobicContact CD1-SD 3.78Å; V422-M521 HydrophobicContact CG1-CE 3.84Å; H425-M521 PolarHBondContact CE1-SD 2.78Å; H425-M521 PolarHBondContact NE2-SD 2.98Å; H425-M521 VanDerWaalsContact NE2-SD 3.36Å; V436-M521 HydrophobicContact CB-CB 4.08Å; V436-M521 HydrophobicContact CG1-CB 4.3Å; V436-M521 WeakPolarHBondContact O-CG 3.31Å; L519-M521 PolarHBondContact O-N 3.5Å; M521-G523 PolarHBondContact O-N 2.85Å; M521-L524 VanDerWaalsContact O-CB 3.28Å; M521-L524 WeakPolarHBondContact O-CB 3.49Å; M521-L524 PolarHBondContact O-N 2.96Å | ||
| 522 | P | 91.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 129.3 | 169 | -22.6 | 33.1 | 0 | 0 | 0 | 111.1 | L330 I332 V575 | L330-P522 HydrophobicContact CB-CG 3.84Å; I332-P522 HydrophobicContact CB-CB 4.25Å; P522-V575 CarbonylContact C-O 3.49Å; P522-V575 WeakPolarHBondContact CA-O 3.45Å |
| 523 | G | 89.1 | Confident | 85 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.5 | -18 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | M521 T525 V575 | M521-G523 PolarHBondContact O-N 2.85Å; G523-T525 PolarHBondContact O-N 3.28Å; G523-V575 PolarHBondContact N-O 3.04Å |
| 524 | L | 89.7 | Confident | 85.9 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | trans | -62.6 | 127.8 | 176.8 | -175.1 | 68.3 | 0 | 0 | 0 | 110.7 | V436 L511 F515 V520 M521 F544 M574 V575 | V436-L524 HydrophobicContact CG2-CB 4.17Å; V436-L524 HydrophobicContact CG2-CD1 4.06Å; L511-L524 HydrophobicContact CD1-CD1 4.2Å; L511-L524 HydrophobicContact CD1-CD2 4.24Å; L511-L524 HydrophobicContact CD1-CG 4.21Å; L511-L524 HydrophobicContact CD2-CD1 4.16Å; F515-L524 HydrophobicContact CD1-CD2 4.35Å; F515-L524 HydrophobicContact CE1-CD2 3.74Å; F515-L524 HydrophobicContact CZ-CD1 4.29Å; F515-L524 HydrophobicContact CZ-CD2 4.33Å; V520-L524 HydrophobicContact CB-CD2 4.49Å; V520-L524 HydrophobicContact CG1-CD2 4.33Å; V520-L524 HydrophobicContact CG2-CD2 4.26Å; M521-L524 VanDerWaalsContact O-CB 3.28Å; M521-L524 WeakPolarHBondContact O-CB 3.49Å; M521-L524 PolarHBondContact O-N 2.96Å; L524-F544 HydrophobicContact CD2-CE1 4.21Å; L524-M574 WeakPolarHBondContact O-CA 3.43Å; L524-V575 HydrophobicContact CB-CG2 4.35Å; L524-V575 PolarHBondContact O-N 2.8Å | ||
| 525 | T | 88 | Confident | 86 | Confident | 16 Ų | 16 | 41.7 Ų | 41.7 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 139.8 | 176.1 | 53.7 | 0 | 0 | 0 | 0 | 110.7 | L503 L511 G523 V573 M574 L594 | L503-T525 HydrophobicContact CD2-CG2 3.84Å; L511-T525 VanDerWaalsContact CD1-O 3.27Å; L511-T525 WeakPolarHBondContact CD1-O 3.3Å; G523-T525 PolarHBondContact O-N 3.28Å; T525-V573 CarbonylContact C-O 3.49Å; T525-V573 WeakPolarHBondContact CA-O 3.25Å; T525-M574 HydrophobicContact CG2-CB 4.31Å; T525-M574 HydrophobicContact CG2-CE 3.78Å; T525-M574 HydrophobicContact CG2-CG 4.39Å; T525-L594 HydrophobicContact CG2-CD2 3.77Å |
| 526 | A | 87.2 | Confident | 85.7 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 149.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L511 L542 P543 V573 | L511-A526 HydrophobicContact CD1-CB 3.67Å; A526-L542 HydrophobicContact CB-CD2 4.33Å; A526-P543 HydrophobicContact CB-CG 4.26Å; A526-V573 HydrophobicContact CB-CG2 4.49Å; A526-V573 PolarHBondContact N-O 3.09Å; A526-V573 WeakPolarHBondContact O-CG2 3.47Å; A526-V573 PolarHBondContact O-N 2.75Å |
| 527 | K | 87.5 | Confident | 85.8 | Confident | 51 Ų | 51 | 40.7 Ų | 40.7 | 22% | 0.222 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 114.4 | 163.8 | -77.3 | -177.7 | -178.7 | 175.7 | 0 | 109.1 | E510 P543 D572 | E510-K527 HydrophobicContact CG-CD 4.48Å; K527-P543 WeakPolarHBondContact O-CD 3.11Å; K527-P543 WeakPolarHBondContact O-CG 3.29Å; K527-D572 VanDerWaalsContact CG-OD1 3.32Å; K527-D572 WeakPolarHBondContact CG-OD1 3.45Å |
| 528 | A | 89.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 142.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V540 H541 L542 L570 I571 V573 | A528-V540 HydrophobicContact CB-CB 3.76Å; A528-V540 HydrophobicContact CB-CG1 4.44Å; A528-V540 HydrophobicContact CB-CG2 3.84Å; A528-H541 CarbonylContact C-O 3.59Å; A528-H541 VanDerWaalsContact CA-O 3.24Å; A528-H541 WeakPolarHBondContact CA-O 3.27Å; A528-H541 WeakPolarHBondContact CB-O 3.41Å; A528-L542 HydrophobicContact CB-CD2 3.91Å; A528-L570 CarbonylContact O-C 3.59Å; A528-L570 WeakPolarHBondContact O-CA 3.3Å; A528-I571 HydrophobicContact CB-CG2 4.3Å; A528-I571 PolarHBondContact N-O 2.99Å; A528-I571 PolarHBondContact O-N 2.91Å; A528-V573 HydrophobicContact CB-CG1 4.3Å; A528-V573 HydrophobicContact CB-CG2 3.82Å |
| 529 | T | 89.2 | Confident | 86.3 | Confident | 50 Ų | 50 | 32 Ų | 32 | 31% | 0.307 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 123.8 | 175.8 | -53.6 | 0 | 0 | 0 | 0 | 109.3 | L531 V540 H541 L570 | T529-L531 PolarHBondContact O-N 3.31Å; T529-L531 VanDerWaalsContact O-N 3.1Å; T529-V540 CarbonylContact O-C 3.54Å; T529-V540 VanDerWaalsContact O-CA 3.27Å; T529-V540 WeakPolarHBondContact O-CA 3.14Å; T529-H541 PolarHBondContact N-O 2.89Å; T529-H541 PolarHBondContact O-N 3.09Å; T529-L570 WeakPolarHBondContact OG1-CD2 3.33Å |
| 530 | V | 90.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 111 | 176.2 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | L538 V540 S567 G568 S569 I571 | V530-L538 HydrophobicContact CG1-CD2 4.26Å; V530-L538 HydrophobicContact CG2-CD1 4.28Å; V530-V540 HydrophobicContact CG2-CG1 4.25Å; V530-S567 CarbonylContact O-C 3.54Å; V530-S567 WeakPolarHBondContact O-CA 3.44Å; V530-G568 PolarHBondContact O-N 3.48Å; V530-S569 WeakPolarHBondContact CB-O 3.23Å; V530-S569 WeakPolarHBondContact CG2-O 3.21Å; V530-S569 PolarHBondContact N-O 2.78Å; V530-I571 HydrophobicContact CG2-CB 4.36Å; V530-I571 HydrophobicContact CG2-CG2 3.84Å |
| 531 | L | 87.4 | Confident | 86.4 | Confident | 74 Ų | 74 | 34.1 Ų | 34.1 | 39% | 0.387 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | -50.1 | 174.9 | -67.5 | 175.4 | 0 | 0 | 0 | 110.3 | T529 L539 H541 I547 S567 | T529-L531 PolarHBondContact O-N 3.31Å; T529-L531 VanDerWaalsContact O-N 3.1Å; L531-L539 HydrophobicContact CB-CD2 4.4Å; L531-L539 HydrophobicContact CD1-CD2 4.32Å; L531-L539 HydrophobicContact CD1-CG 4.48Å; L531-L539 PolarHBondContact N-O 2.91Å; L531-H541 HydrophobicContact CD1-CB 3.91Å; L531-H541 HydrophobicContact CD2-CB 3.88Å; L531-H541 HydrophobicContact CG-CB 3.82Å; L531-I547 HydrophobicContact CD1-CD1 4.49Å; L531-I547 HydrophobicContact CD1-CG1 4.29Å; L531-I547 HydrophobicContact CD1-CG2 4.36Å; L531-S567 WeakPolarHBondContact O-CB 3.48Å; L531-S567 PolarHBondContact O-OG 3.04Å |
| 532 | R | 84.1 | Confident | 86.4 | Confident | 139 Ų | 139 | 34.1 Ų | 34.1 | 53% | 0.525 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 142.7 | -172.9 | -160.6 | 170.6 | -174.9 | 165.7 | 2.4 | 111.6 | L539 | R532-L539 HydrophobicContact CB-CB 4.23Å; R532-L539 HydrophobicContact CB-CD2 4.46Å; R532-L539 PolarHBondContact N-O 2.76Å; R532-L539 PolarHBondContact O-N 3.36Å |
| 533 | T | 82.4 | Confident | 85.8 | Confident | 41 Ų | 41 | 35.6 Ų | 35.6 | 25% | 0.252 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 122.4 | -179 | -42.7 | 0 | 0 | 0 | 0 | 109.5 | L538 A562 H565 | T533-L538 HydrophobicContact CG2-CD2 3.64Å; T533-A562 VanDerWaalsContact CG2-C 3.41Å; T533-A562 HydrophobicContact CG2-CB 4.2Å; T533-A562 WeakPolarHBondContact CG2-O 3.33Å; T533-H565 PolarHBondContact OG1-O 2.84Å |
| 534 | W | 80 | Confident | 85.6 | Confident | 31 Ų | 31 | 36.2 Ų | 36.2 | 12% | 0.117 | 18% | 0.175 | C | C | . | . | trans | -115.4 | 163.3 | 175 | -70.1 | -42.6 | 0 | 0 | 0 | 111 | E313 S536 G537 L539 Y549 A562 | E313-W534 HydrophobicContact CB-CD2 4.38Å; E313-W534 HydrophobicContact CB-CE3 4.41Å; E313-W534 HydrophobicContact CB-CH2 4.2Å; E313-W534 HydrophobicContact CB-CZ2 4.16Å; E313-W534 HydrophobicContact CB-CZ3 4.32Å; E313-W534 HydrophobicContact CG-CD2 3.81Å; E313-W534 HydrophobicContact CG-CE3 3.73Å; E313-W534 HydrophobicContact CG-CG 4.28Å; E313-W534 HydrophobicContact CG-CH2 4.39Å; E313-W534 HydrophobicContact CG-CZ2 4.46Å; E313-W534 HydrophobicContact CG-CZ3 4.04Å; E313-W534 WeakPolarHBondContact OE1-CB 3.44Å; W534-S536 PolarHBondContact O-N 3.24Å; W534-G537 CarbonylContact C-O 3.51Å; W534-G537 WeakPolarHBondContact CA-O 3.26Å; W534-G537 PolarHBondContact N-O 3.14Å; W534-G537 PolarHBondContact O-N 3.22Å; W534-L539 HydrophobicContact CE3-CB 4.48Å; W534-L539 HydrophobicContact CH2-CB 4.42Å; W534-L539 HydrophobicContact CH2-CD1 4.22Å; W534-L539 HydrophobicContact CH2-CD2 4.3Å; W534-L539 HydrophobicContact CZ3-CB 4.15Å; W534-L539 HydrophobicContact CZ3-CD1 4.12Å; W534-Y549 HydrophobicContact CE3-CD2 4.2Å; W534-Y549 AromaticContact CE3-CE2 3.88Å; W534-Y549 HydrophobicContact CE3-CE2 3.88Å; W534-Y549 HydrophobicContact CZ3-CD2 4.08Å; W534-Y549 HydrophobicContact CZ3-CE2 4.15Å; W534-A562 VanDerWaalsContact O-CB 3.27Å; W534-A562 WeakPolarHBondContact O-CB 3.43Å | ||
| 535 | K | 70.4 | Confident | 85.2 | Confident | 205 Ų | 205 | 41.9 Ų | 41.9 | 89% | 0.891 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -65 | -25.5 | 173.3 | -72.2 | -176.9 | -179.9 | 175.4 | 0 | 112.1 | ||
| 536 | S | 76 | Confident | 84.9 | Confident | 38 Ų | 38 | 43 Ų | 43 | 27% | 0.266 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -87.6 | -17.9 | -178.5 | 67.3 | 0 | 0 | 0 | 0 | 114 | E313 W534 Y549 Q552 | E313-S536 WeakPolarHBondContact OE1-CB 3.36Å; E313-S536 PolarHBondContact OE1-OG 3.42Å; W534-S536 PolarHBondContact O-N 3.24Å; S536-Y549 WeakPolarHBondContact CB-OH 3.19Å; S536-Y549 PolarHBondContact O-OH 3.05Å; S536-Y549 PolarHBondContact OG-OH 2.95Å; S536-Q552 WeakPolarHBondContact O-CB 3.08Å; S536-Q552 PolarHBondContact O-N 3.43Å |
| 537 | G | 85.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.5 | -162.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | W534 V550 | W534-G537 CarbonylContact C-O 3.51Å; W534-G537 WeakPolarHBondContact CA-O 3.26Å; W534-G537 PolarHBondContact N-O 3.14Å; W534-G537 PolarHBondContact O-N 3.22Å; G537-V550 CarbonylContact C-O 3.51Å; G537-V550 VanDerWaalsContact CA-O 3.24Å; G537-V550 WeakPolarHBondContact CA-O 3.5Å |
| 538 | L | 88.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 132.4 | -179 | -56.6 | 175.7 | 0 | 0 | 0 | 110.2 | V530 T533 V540 Y549 V550 L555 A562 H565 I571 | V530-L538 HydrophobicContact CG1-CD2 4.26Å; V530-L538 HydrophobicContact CG2-CD1 4.28Å; T533-L538 HydrophobicContact CG2-CD2 3.64Å; L538-V540 HydrophobicContact CB-CG1 4.11Å; L538-Y549 WeakPolarHBondContact O-CA 3.36Å; L538-V550 HydrophobicContact CB-CB 4.44Å; L538-V550 PolarHBondContact N-O 2.86Å; L538-V550 PolarHBondContact O-N 3.23Å; L538-L555 HydrophobicContact CD1-CD2 3.5Å; L538-L555 HydrophobicContact CG-CD2 4Å; L538-A562 HydrophobicContact CD2-CB 3.83Å; L538-A562 HydrophobicContact CG-CB 4.34Å; L538-H565 HydrophobicContact CD1-CB 4.17Å; L538-H565 HydrophobicContact CD2-CB 3.99Å; L538-I571 HydrophobicContact CD1-CD1 3.73Å |
| 539 | L | 88.7 | Confident | 84.7 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 126.7 | 165.5 | -169.4 | 76.2 | 0 | 0 | 0 | 108.3 | L311 W316 L531 R532 W534 I547 | L311-L539 HydrophobicContact CD2-CD2 3.69Å; W316-L539 HydrophobicContact CD2-CD1 4.33Å; W316-L539 HydrophobicContact CG-CD1 4.29Å; L531-L539 HydrophobicContact CB-CD2 4.4Å; L531-L539 HydrophobicContact CD1-CD2 4.32Å; L531-L539 HydrophobicContact CD1-CG 4.48Å; L531-L539 PolarHBondContact N-O 2.91Å; R532-L539 HydrophobicContact CB-CB 4.23Å; R532-L539 HydrophobicContact CB-CD2 4.46Å; R532-L539 PolarHBondContact N-O 2.76Å; R532-L539 PolarHBondContact O-N 3.36Å; W534-L539 HydrophobicContact CE3-CB 4.48Å; W534-L539 HydrophobicContact CH2-CB 4.42Å; W534-L539 HydrophobicContact CH2-CD1 4.22Å; W534-L539 HydrophobicContact CH2-CD2 4.3Å; W534-L539 HydrophobicContact CZ3-CB 4.15Å; W534-L539 HydrophobicContact CZ3-CD1 4.12Å; L539-I547 HydrophobicContact CD1-CG2 3.63Å; L539-I547 HydrophobicContact CD2-CG2 4.33Å; L539-I547 HydrophobicContact CG-CG2 3.92Å |
| 540 | V | 90.9 | Very high | 84.7 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 149.2 | -172.1 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | A528 T529 V530 L538 I547 G548 V550 I571 L587 | A528-V540 HydrophobicContact CB-CB 3.76Å; A528-V540 HydrophobicContact CB-CG1 4.44Å; A528-V540 HydrophobicContact CB-CG2 3.84Å; T529-V540 CarbonylContact O-C 3.54Å; T529-V540 VanDerWaalsContact O-CA 3.27Å; T529-V540 WeakPolarHBondContact O-CA 3.14Å; V530-V540 HydrophobicContact CG2-CG1 4.25Å; L538-V540 HydrophobicContact CB-CG1 4.11Å; V540-I547 WeakPolarHBondContact O-CA 3.19Å; V540-G548 WeakPolarHBondContact CG2-O 3.23Å; V540-G548 PolarHBondContact N-O 3.06Å; V540-G548 PolarHBondContact O-N 2.77Å; V540-V550 HydrophobicContact CG1-CG2 4.3Å; V540-V550 HydrophobicContact CG2-CG2 4.2Å; V540-I571 HydrophobicContact CG1-CG2 3.96Å; V540-L587 HydrophobicContact CG2-CD1 3.61Å |
| 541 | H | 88.1 | Confident | 84.4 | Confident | 56 Ų | 56 | 42.3 Ų | 42.3 | 26% | 0.259 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 127.6 | 171.4 | -174.7 | -96.7 | 0 | 0 | 0 | 109.4 | A528 T529 L531 N545 | A528-H541 CarbonylContact C-O 3.59Å; A528-H541 VanDerWaalsContact CA-O 3.24Å; A528-H541 WeakPolarHBondContact CA-O 3.27Å; A528-H541 WeakPolarHBondContact CB-O 3.41Å; T529-H541 PolarHBondContact N-O 2.89Å; T529-H541 PolarHBondContact O-N 3.09Å; L531-H541 HydrophobicContact CD1-CB 3.91Å; L531-H541 HydrophobicContact CD2-CB 3.88Å; L531-H541 HydrophobicContact CG-CB 3.82Å; H541-N545 PolarHBondContact NE2-OD1 3.26Å |
| 542 | L | 89.4 | Confident | 84.1 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 152.5 | -178.1 | -66.1 | 160.3 | 0 | 0 | 0 | 110.5 | A526 A528 F544 N545 Q546 V573 L585 L587 | A526-L542 HydrophobicContact CB-CD2 4.33Å; A528-L542 HydrophobicContact CB-CD2 3.91Å; L542-F544 VanDerWaalsContact C-N 3.25Å; L542-F544 HydrophobicContact CB-CD2 4.25Å; L542-F544 HydrophobicContact CB-CE1 4.17Å; L542-F544 HydrophobicContact CB-CE2 3.83Å; L542-F544 HydrophobicContact CB-CZ 3.8Å; L542-F544 HydrophobicContact CD1-CE2 3.69Å; L542-F544 HydrophobicContact CD1-CZ 3.68Å; L542-F544 HydrophobicContact CD2-CZ 4.26Å; L542-F544 HydrophobicContact CG-CE2 4.33Å; L542-F544 HydrophobicContact CG-CZ 4.13Å; L542-F544 PolarHBondContact O-N 2.99Å; L542-F544 VanDerWaalsContact O-N 3.14Å; L542-N545 PolarHBondContact O-N 3.29Å; L542-Q546 HydrophobicContact CB-CB 4.38Å; L542-Q546 WeakPolarHBondContact CB-O 3.45Å; L542-Q546 HydrophobicContact CD1-CB 4.04Å; L542-Q546 PolarHBondContact N-O 3.27Å; L542-V573 HydrophobicContact CD2-CG2 3.72Å; L542-L585 HydrophobicContact CD1-CD1 3.8Å; L542-L587 HydrophobicContact CD1-CD1 4.16Å; L542-L587 HydrophobicContact CD1-CD2 4.35Å; L542-L587 HydrophobicContact CD2-CD1 4.26Å; L542-L587 HydrophobicContact CD2-CD2 4.45Å; L542-L587 HydrophobicContact CG-CD1 4.48Å |
| 543 | P | 80.5 | Confident | 83.7 | Confident | 31 Ų | 31 | 36.6 Ų | 36.6 | 20% | 0.201 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -34.4 | -175.1 | -24.7 | 33 | 0 | 0 | 0 | 114.5 | L511 A526 K527 N545 | L511-P543 HydrophobicContact CB-CB 4.47Å; A526-P543 HydrophobicContact CB-CG 4.26Å; K527-P543 WeakPolarHBondContact O-CD 3.11Å; K527-P543 WeakPolarHBondContact O-CG 3.29Å; P543-N545 PolarHBondContact O-N 2.59Å; P543-N545 VanDerWaalsContact O-N 3.11Å |
| 544 | F | 84.4 | Confident | 83.8 | Confident | 14 Ų | 14 | 35.6 Ų | 35.6 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 33.1 | 177.4 | 45.3 | -96.8 | 0 | 0 | 0 | 112.8 | F515 L517 V520 L524 L542 Q546 L585 | F515-F544 HydrophobicContact CB-CB 4.35Å; F515-F544 HydrophobicContact CD1-CD1 4.45Å; F515-F544 WeakPolarHBondContact O-CB 3.24Å; L517-F544 HydrophobicContact CD1-CD2 4.03Å; V520-F544 HydrophobicContact CG1-CE2 4.48Å; V520-F544 HydrophobicContact CG1-CZ 4.2Å; V520-F544 HydrophobicContact CG2-CD1 4.4Å; V520-F544 HydrophobicContact CG2-CD2 4.11Å; V520-F544 HydrophobicContact CG2-CE1 4.21Å; V520-F544 HydrophobicContact CG2-CE2 3.9Å; V520-F544 HydrophobicContact CG2-CG 4.34Å; V520-F544 HydrophobicContact CG2-CZ 3.94Å; L524-F544 HydrophobicContact CD2-CE1 4.21Å; L542-F544 VanDerWaalsContact C-N 3.25Å; L542-F544 HydrophobicContact CB-CD2 4.25Å; L542-F544 HydrophobicContact CB-CE1 4.17Å; L542-F544 HydrophobicContact CB-CE2 3.83Å; L542-F544 HydrophobicContact CB-CZ 3.8Å; L542-F544 HydrophobicContact CD1-CE2 3.69Å; L542-F544 HydrophobicContact CD1-CZ 3.68Å; L542-F544 HydrophobicContact CD2-CZ 4.26Å; L542-F544 HydrophobicContact CG-CE2 4.33Å; L542-F544 HydrophobicContact CG-CZ 4.13Å; L542-F544 PolarHBondContact O-N 2.99Å; L542-F544 VanDerWaalsContact O-N 3.14Å; F544-Q546 HydrophobicContact CD2-CB 3.92Å; F544-Q546 HydrophobicContact CD2-CG 3.73Å; F544-Q546 HydrophobicContact CE2-CB 3.84Å; F544-Q546 HydrophobicContact CE2-CG 3.92Å; F544-Q546 PolarHBondContact O-N 2.84Å; F544-L585 HydrophobicContact CE2-CD1 3.82Å; F544-L585 HydrophobicContact CZ-CD1 4.05Å |
| 545 | N | 80.8 | Confident | 84 | Confident | 122 Ų | 122 | 34.1 Ų | 34.1 | 65% | 0.652 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 41.7 | 174.1 | -154.5 | 22.7 | 0 | 0 | 0 | 115.1 | H541 L542 P543 | H541-N545 PolarHBondContact NE2-OD1 3.26Å; L542-N545 PolarHBondContact O-N 3.29Å; P543-N545 PolarHBondContact O-N 2.59Å; P543-N545 VanDerWaalsContact O-N 3.11Å |
| 546 | Q | 82.6 | Confident | 84.4 | Confident | 39 Ų | 39 | 29.4 Ų | 29.4 | 18% | 0.182 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 146.3 | 173.4 | -73.5 | -63.7 | -42.5 | 0 | 0 | 111.3 | L517 L542 F544 | L517-Q546 HydrophobicContact CD1-CG 3.34Å; L542-Q546 HydrophobicContact CB-CB 4.38Å; L542-Q546 WeakPolarHBondContact CB-O 3.45Å; L542-Q546 HydrophobicContact CD1-CB 4.04Å; L542-Q546 PolarHBondContact N-O 3.27Å; F544-Q546 HydrophobicContact CD2-CB 3.92Å; F544-Q546 HydrophobicContact CD2-CG 3.73Å; F544-Q546 HydrophobicContact CE2-CB 3.84Å; F544-Q546 HydrophobicContact CE2-CG 3.92Å; F544-Q546 PolarHBondContact O-N 2.84Å |
| 547 | I | 84.8 | Confident | 84.2 | Confident | 61 Ų | 61 | 31.3 Ų | 31.3 | 31% | 0.313 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 134.8 | 171 | -59.3 | 174.2 | 0 | 0 | 0 | 108 | W316 L531 L539 V540 | W316-I547 HydrophobicContact CH2-CB 4.04Å; W316-I547 HydrophobicContact CH2-CG2 4.08Å; W316-I547 HydrophobicContact CZ2-CB 4.48Å; W316-I547 HydrophobicContact CZ2-CG2 4.26Å; W316-I547 HydrophobicContact CZ3-CG2 4.36Å; W316-I547 VanDerWaalsContact CZ3-O 3.32Å; W316-I547 WeakPolarHBondContact CZ3-O 3.21Å; L531-I547 HydrophobicContact CD1-CD1 4.49Å; L531-I547 HydrophobicContact CD1-CG1 4.29Å; L531-I547 HydrophobicContact CD1-CG2 4.36Å; L539-I547 HydrophobicContact CD1-CG2 3.63Å; L539-I547 HydrophobicContact CD2-CG2 4.33Å; L539-I547 HydrophobicContact CG-CG2 3.92Å; V540-I547 WeakPolarHBondContact O-CA 3.19Å |
| 548 | G | 87 | Confident | 83.4 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 169.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V540 | V540-G548 WeakPolarHBondContact CG2-O 3.23Å; V540-G548 PolarHBondContact N-O 3.06Å; V540-G548 PolarHBondContact O-N 2.77Å |
| 549 | Y | 88 | Confident | 82.3 | Confident | 20 Ų | 20 | 35.3 Ų | 35.3 | 8% | 0.078 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 130.3 | -178.7 | 175.2 | -96.8 | 0 | 0 | 0 | 110.9 | W316 A317 W534 S536 L538 S551 | W316-Y549 HydrophobicContact CB-CD2 4.33Å; W316-Y549 HydrophobicContact CB-CG 4.24Å; W316-Y549 VanDerWaalsContact O-CD1 3.26Å; W316-Y549 WeakPolarHBondContact O-CD1 3.17Å; A317-Y549 VanDerWaalsContact CA-CE1 3.48Å; A317-Y549 HydrophobicContact CB-CE1 3.95Å; A317-Y549 HydrophobicContact CB-CE2 4.43Å; W534-Y549 HydrophobicContact CE3-CD2 4.2Å; W534-Y549 AromaticContact CE3-CE2 3.88Å; W534-Y549 HydrophobicContact CE3-CE2 3.88Å; W534-Y549 HydrophobicContact CZ3-CD2 4.08Å; W534-Y549 HydrophobicContact CZ3-CE2 4.15Å; S536-Y549 WeakPolarHBondContact CB-OH 3.19Å; S536-Y549 PolarHBondContact O-OH 3.05Å; S536-Y549 PolarHBondContact OG-OH 2.95Å; L538-Y549 WeakPolarHBondContact O-CA 3.36Å; Y549-S551 VanDerWaalsContact CE1-CA 3.5Å |
| 550 | V | 88.7 | Confident | 81.5 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 107 | 174.7 | -176 | 0 | 0 | 0 | 0 | 107.9 | G537 L538 V540 H554 L555 V573 L587 A589 | G537-V550 CarbonylContact C-O 3.51Å; G537-V550 VanDerWaalsContact CA-O 3.24Å; G537-V550 WeakPolarHBondContact CA-O 3.5Å; L538-V550 HydrophobicContact CB-CB 4.44Å; L538-V550 PolarHBondContact N-O 2.86Å; L538-V550 PolarHBondContact O-N 3.23Å; V540-V550 HydrophobicContact CG1-CG2 4.3Å; V540-V550 HydrophobicContact CG2-CG2 4.2Å; V550-H554 HydrophobicContact CG1-CB 4.15Å; V550-L555 HydrophobicContact CG1-CD2 4.05Å; V550-V573 HydrophobicContact CG2-CG1 3.77Å; V550-L587 HydrophobicContact CG2-CB 3.84Å; V550-L587 HydrophobicContact CG2-CD1 4.29Å; V550-A589 HydrophobicContact CG1-CB 4Å |
| 551 | S | 85 | Confident | 80.7 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 6% | 0.056 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 156.3 | 178.8 | 91.6 | 0 | 0 | 0 | 0 | 111.5 | Y549 S553 H554 L555 | Y549-S551 VanDerWaalsContact CE1-CA 3.5Å; S551-S553 PolarHBondContact O-N 3.13Å; S551-S553 VanDerWaalsContact O-N 3.1Å; S551-S553 PolarHBondContact OG-N 2.65Å; S551-S553 PolarHBondContact OG-OG 3.33Å; S551-H554 WeakPolarHBondContact O-CA 3.39Å; S551-H554 WeakPolarHBondContact O-CB 3.36Å; S551-H554 PolarHBondContact O-N 2.73Å; S551-H554 PolarHBondContact OG-CD2 3Å; S551-H554 PolarHBondContact OG-N 2.98Å; S551-L555 PolarHBondContact O-N 2.86Å |
| 552 | Q | 80.5 | Confident | 80.1 | Confident | 39 Ų | 39 | 37.5 Ų | 37.5 | 18% | 0.182 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -49.4 | -36.8 | 172 | -179.9 | 63.5 | 19.9 | 0 | 0 | 113 | S536 H554 D560 A562 | S536-Q552 WeakPolarHBondContact O-CB 3.08Å; S536-Q552 PolarHBondContact O-N 3.43Å; Q552-H554 PolarHBondContact O-N 2.76Å; Q552-D560 PolarHBondContact NE2-O 3.4Å; Q552-A562 VanDerWaalsContact OE1-CB 3.3Å |
| 553 | S | 77 | Confident | 79.3 | Confident | 55 Ų | 55 | 41 Ų | 41 | 39% | 0.385 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -72.2 | -16.1 | 179.1 | 71.8 | 0 | 0 | 0 | 0 | 113.9 | S551 R590 | S551-S553 PolarHBondContact O-N 3.13Å; S551-S553 VanDerWaalsContact O-N 3.1Å; S551-S553 PolarHBondContact OG-N 2.65Å; S551-S553 PolarHBondContact OG-OG 3.33Å; S553-R590 PolarHBondContact O-NE 2.84Å; S553-R590 PolarHBondContact O-NH2 2.74Å |
| 554 | H | 83.7 | Confident | 79.1 | Confident | 19 Ų | 19 | 46.3 Ų | 46.3 | 9% | 0.088 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -106.8 | 7.7 | -175.1 | -82.9 | -85.2 | 0 | 0 | 0 | 113.3 | V550 S551 Q552 S588 A589 R590 Y670 | V550-H554 HydrophobicContact CG1-CB 4.15Å; S551-H554 WeakPolarHBondContact O-CA 3.39Å; S551-H554 WeakPolarHBondContact O-CB 3.36Å; S551-H554 PolarHBondContact O-N 2.73Å; S551-H554 PolarHBondContact OG-CD2 3Å; S551-H554 PolarHBondContact OG-N 2.98Å; Q552-H554 PolarHBondContact O-N 2.76Å; H554-S588 WeakPolarHBondContact ND1-CB 3.46Å; H554-S588 PolarHBondContact ND1-OG 2.91Å; H554-A589 CarbonylContact O-C 3.57Å; H554-A589 WeakPolarHBondContact O-CA 3.47Å; H554-A589 PolarHBondContact O-N 3.49Å; H554-R590 PolarHBondContact O-N 3.02Å; H554-R590 VanDerWaalsContact O-N 3.16Å; H554-Y670 AromaticContact CE1-CE1 3.84Å; H554-Y670 AromaticContact CE1-CZ 3.79Å; H554-Y670 PolarHBondContact CE1-OH 2.74Å |
| 555 | L | 84.2 | Confident | 78.8 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -69.7 | 168.3 | 169.5 | -62.4 | 176.9 | 0 | 0 | 0 | 111.8 | L538 V550 S551 H557 D560 A562 I571 R590 | L538-L555 HydrophobicContact CD1-CD2 3.5Å; L538-L555 HydrophobicContact CG-CD2 4Å; V550-L555 HydrophobicContact CG1-CD2 4.05Å; S551-L555 PolarHBondContact O-N 2.86Å; L555-H557 VanDerWaalsContact C-N 3.35Å; L555-H557 PolarHBondContact O-N 2.7Å; L555-D560 HydrophobicContact CB-CB 4.32Å; L555-A562 HydrophobicContact CD1-CB 4.19Å; L555-I571 HydrophobicContact CD2-CD1 4.34Å; L555-R590 VanDerWaalsContact O-CG 3.25Å; L555-R590 WeakPolarHBondContact O-CG 2.98Å |
| 556 | R | 77.9 | Confident | 78.8 | Confident | 105 Ų | 105 | 50.4 Ų | 50.4 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -44.3 | -55.2 | -175.1 | -91 | -164.3 | -176.8 | 166.8 | 6.4 | 113.4 | D572 A589 D591 R595 | R556-D572 IonicContact NH2-OD2 2.86Å; R556-A589 VanDerWaalsContact CA-O 3.27Å; R556-A589 WeakPolarHBondContact CA-O 3.44Å; R556-A589 WeakPolarHBondContact CG-O 3.49Å; R556-A589 PolarHBondContact N-O 3.09Å; R556-D591 WeakPolarHBondContact CG-OD1 3.43Å; R556-D591 IonicContact NE-OD1 2.78Å; R556-R595 VanDerWaalsContact CZ-NH2 3.28Å |
| 557 | H | 71.9 | Confident | 78.7 | Confident | 79 Ų | 79 | 52.2 Ų | 52.2 | 37% | 0.366 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -119.2 | 149.4 | 177.2 | -65.8 | -52.9 | 0 | 0 | 0 | 112.2 | L555 S559 D560 D591 | L555-H557 VanDerWaalsContact C-N 3.35Å; L555-H557 PolarHBondContact O-N 2.7Å; H557-S559 PolarHBondContact O-N 3.14Å; H557-D560 IonicContact CD2-OD2 2.74Å; H557-D560 PolarHBondContact O-N 3.22Å; H557-D591 IonicContact CE1-OD2 2.94Å; H557-D591 IonicContact NE2-OD2 3.77Å |
| 558 | P | 67.8 | Low | 78.5 | Confident | 25 Ų | 25 | 52 Ų | 52 | 16% | 0.162 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -20.6 | 175.2 | -22.9 | 32.8 | 0 | 0 | 0 | 114.3 | T625 Y633 | P558-T625 HydrophobicContact CB-CG2 4.3Å; P558-Y633 HydrophobicContact CG-CD1 4.18Å; P558-Y633 HydrophobicContact CG-CD2 4.19Å; P558-Y633 HydrophobicContact CG-CE1 4.48Å; P558-Y633 HydrophobicContact CG-CG 4.02Å |
| 559 | S | 66 | Low | 78.6 | Confident | 59 Ų | 59 | 53.7 Ų | 53.7 | 41% | 0.413 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -4.3 | 177.4 | 54.5 | 0 | 0 | 0 | 0 | 114.3 | H557 | H557-S559 PolarHBondContact O-N 3.14Š|
| 560 | D | 72.1 | Confident | 78.6 | Confident | 28 Ų | 28 | 57.8 Ų | 57.8 | 15% | 0.15 | 32% | 0.323 | C | S | . | . | trans | -73.6 | 147.2 | 177 | -92.5 | -34.2 | 0 | 0 | 0 | 111.5 | Q552 L555 H557 K564 | Q552-D560 PolarHBondContact NE2-O 3.4Å; L555-D560 HydrophobicContact CB-CB 4.32Å; H557-D560 IonicContact CD2-OD2 2.74Å; H557-D560 PolarHBondContact O-N 3.22Å; D560-K564 IonicContact OD1-NZ 2.84Å; D560-K564 PolarHBondContact OD1-NZ 3.12Å | ||
| 561 | N | 74.3 | Confident | 78.5 | Confident | 80 Ų | 80 | 58.4 Ų | 58.4 | 43% | 0.428 | 33% | 0.326 | S | S | . | . | trans | -113.7 | 127.9 | -178.3 | -170.3 | -4.5 | 0 | 0 | 0 | 108.6 | A563 K564 | N561-A563 PolarHBondContact O-N 2.91Å; N561-A563 VanDerWaalsContact O-N 3.07Å; N561-A563 PolarHBondContact OD1-N 3.16Å; N561-K564 WeakPolarHBondContact O-CB 3.31Å; N561-K564 PolarHBondContact O-N 3.21Å | ||
| 562 | A | 74.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -49.7 | -36.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T533 W534 L538 Q552 L555 K564 H565 | T533-A562 VanDerWaalsContact CG2-C 3.41Å; T533-A562 HydrophobicContact CG2-CB 4.2Å; T533-A562 WeakPolarHBondContact CG2-O 3.33Å; W534-A562 VanDerWaalsContact O-CB 3.27Å; W534-A562 WeakPolarHBondContact O-CB 3.43Å; L538-A562 HydrophobicContact CD2-CB 3.83Å; L538-A562 HydrophobicContact CG-CB 4.34Å; Q552-A562 VanDerWaalsContact OE1-CB 3.3Å; L555-A562 HydrophobicContact CD1-CB 4.19Å; A562-K564 PolarHBondContact O-N 3.05Å; A562-H565 PolarHBondContact O-N 2.89Å |
| 563 | A | 73.4 | Confident | 79.2 | Confident | 75 Ų | 75 | 58.4 Ų | 58.4 | 62% | 0.62 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -56.1 | -17.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | N561 H565 | N561-A563 PolarHBondContact O-N 2.91Å; N561-A563 VanDerWaalsContact O-N 3.07Å; N561-A563 PolarHBondContact OD1-N 3.16Å; A563-H565 VanDerWaalsContact C-N 3.31Å |
| 564 | K | 75.7 | Confident | 79.8 | Confident | 141 Ų | 141 | 55.9 Ų | 55.9 | 61% | 0.613 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -73 | -21.5 | 174.5 | -66.4 | -177.2 | -174.8 | 173.2 | 0 | 113.2 | D560 N561 A562 | D560-K564 IonicContact OD1-NZ 2.84Å; D560-K564 PolarHBondContact OD1-NZ 3.12Å; N561-K564 WeakPolarHBondContact O-CB 3.31Å; N561-K564 PolarHBondContact O-N 3.21Å; A562-K564 PolarHBondContact O-N 3.05Å |
| 565 | H | 79.2 | Confident | 80.2 | Confident | 49 Ų | 49 | 55.1 Ų | 55.1 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -91.9 | 123.3 | -177.2 | -64.1 | -89.4 | 0 | 0 | 0 | 110.5 | T533 L538 A562 A563 | T533-H565 PolarHBondContact OG1-O 2.84Å; L538-H565 HydrophobicContact CD1-CB 4.17Å; L538-H565 HydrophobicContact CD2-CB 3.99Å; A562-H565 PolarHBondContact O-N 2.89Å; A563-H565 VanDerWaalsContact C-N 3.31Å |
| 566 | K | 79.7 | Confident | 80.6 | Confident | 173 Ų | 173 | 55.1 Ų | 55.1 | 75% | 0.752 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -83 | 144.5 | 175.9 | -65.2 | -176.4 | 179.8 | -178.4 | 0 | 110.3 | G568 S569 | K566-G568 PolarHBondContact O-N 3.08Å; K566-S569 VanDerWaalsContact O-CB 3.3Å; K566-S569 WeakPolarHBondContact O-CB 3.49Å; K566-S569 PolarHBondContact O-N 2.78Å; K566-S569 PolarHBondContact O-OG 2.86Å |
| 567 | S | 81.6 | Confident | 81.3 | Confident | 78 Ų | 78 | 51 Ų | 51 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 134.5 | 167.6 | -71.9 | 0 | 0 | 0 | 0 | 110 | V530 L531 | V530-S567 CarbonylContact O-C 3.54Å; V530-S567 WeakPolarHBondContact O-CA 3.44Å; L531-S567 WeakPolarHBondContact O-CB 3.48Å; L531-S567 PolarHBondContact O-OG 3.04Å |
| 568 | G | 80.9 | Confident | 82.1 | Confident | 55 Ų | 55 | 48 Ų | 48 | 57% | 0.567 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.2 | -12.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115 | V530 K566 | V530-G568 PolarHBondContact O-N 3.48Å; K566-G568 PolarHBondContact O-N 3.08Å |
| 569 | S | 88.7 | Confident | 82.9 | Confident | 38 Ų | 38 | 48.5 Ų | 48.5 | 27% | 0.266 | 28% | 0.279 | S | S | . | . | trans | -71.9 | 145 | 176.4 | 63.6 | 0 | 0 | 0 | 0 | 112.1 | V530 K566 | V530-S569 WeakPolarHBondContact CB-O 3.23Å; V530-S569 WeakPolarHBondContact CG2-O 3.21Å; V530-S569 PolarHBondContact N-O 2.78Å; K566-S569 VanDerWaalsContact O-CB 3.3Å; K566-S569 WeakPolarHBondContact O-CB 3.49Å; K566-S569 PolarHBondContact O-N 2.78Å; K566-S569 PolarHBondContact O-OG 2.86Å | ||
| 570 | L | 86.5 | Confident | 83.5 | Confident | 107 Ų | 107 | 48.6 Ų | 48.6 | 56% | 0.56 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 140.4 | 175.8 | -65 | 171.1 | 0 | 0 | 0 | 110.7 | A528 T529 | A528-L570 CarbonylContact O-C 3.59Å; A528-L570 WeakPolarHBondContact O-CA 3.3Å; T529-L570 WeakPolarHBondContact OG1-CD2 3.33Å |
| 571 | I | 88.3 | Confident | 83.6 | Confident | 12 Ų | 12 | 54.6 Ų | 54.6 | 6% | 0.062 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 132.1 | 174.5 | -171.1 | 169 | 0 | 0 | 0 | 110.3 | A528 V530 L538 V540 L555 V573 A589 | A528-I571 HydrophobicContact CB-CG2 4.3Å; A528-I571 PolarHBondContact N-O 2.99Å; A528-I571 PolarHBondContact O-N 2.91Å; V530-I571 HydrophobicContact CG2-CB 4.36Å; V530-I571 HydrophobicContact CG2-CG2 3.84Å; L538-I571 HydrophobicContact CD1-CD1 3.73Å; V540-I571 HydrophobicContact CG1-CG2 3.96Å; L555-I571 HydrophobicContact CD2-CD1 4.34Å; I571-V573 HydrophobicContact CG2-CG1 4.13Å; I571-A589 HydrophobicContact CD1-CB 3.72Å; I571-A589 HydrophobicContact CG1-CB 4.03Å |
| 572 | D | 89 | Confident | 83.7 | Confident | 46 Ų | 46 | 53 Ų | 53 | 25% | 0.246 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 129.5 | 174 | -54.7 | -50.6 | 0 | 0 | 0 | 109.4 | K527 R556 A589 L594 | K527-D572 VanDerWaalsContact CG-OD1 3.32Å; K527-D572 WeakPolarHBondContact CG-OD1 3.45Å; R556-D572 IonicContact NH2-OD2 2.86Å; D572-A589 WeakPolarHBondContact O-CB 3.34Å; D572-L594 HydrophobicContact CB-CD1 3.93Å; D572-L594 VanDerWaalsContact O-CD1 3.32Å; D572-L594 WeakPolarHBondContact O-CD1 3.23Å |
| 573 | V | 90.5 | Very high | 83.6 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.4 | 178.9 | -61.5 | 0 | 0 | 0 | 0 | 110.8 | T525 A526 A528 L542 V550 I571 L587 A589 | T525-V573 CarbonylContact C-O 3.49Å; T525-V573 WeakPolarHBondContact CA-O 3.25Å; A526-V573 HydrophobicContact CB-CG2 4.49Å; A526-V573 PolarHBondContact N-O 3.09Å; A526-V573 WeakPolarHBondContact O-CG2 3.47Å; A526-V573 PolarHBondContact O-N 2.75Å; A528-V573 HydrophobicContact CB-CG1 4.3Å; A528-V573 HydrophobicContact CB-CG2 3.82Å; L542-V573 HydrophobicContact CD2-CG2 3.72Å; V550-V573 HydrophobicContact CG2-CG1 3.77Å; I571-V573 HydrophobicContact CG2-CG1 4.13Å; V573-L587 HydrophobicContact CG2-CD2 4.43Å; V573-A589 HydrophobicContact CG1-CB 4.28Å |
| 574 | M | 90.5 | Very high | 83.9 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 137.4 | 170.1 | -178.5 | -178.9 | -76.4 | 0 | 0 | 109.7 | I332 L503 L524 T525 T576 L587 S588 L593 L594 | I332-M574 HydrophobicContact CD1-SD 4.08Å; L503-M574 HydrophobicContact CD1-CE 4.04Å; L503-M574 HydrophobicContact CD2-CE 3.69Å; L524-M574 WeakPolarHBondContact O-CA 3.43Å; T525-M574 HydrophobicContact CG2-CB 4.31Å; T525-M574 HydrophobicContact CG2-CE 3.78Å; T525-M574 HydrophobicContact CG2-CG 4.39Å; M574-T576 PolarHBondContact O-N 2.86Å; M574-L587 WeakPolarHBondContact O-CA 3.45Å; M574-S588 PolarHBondContact N-O 3.5Å; M574-S588 PolarHBondContact O-N 2.78Å; M574-L593 HydrophobicContact CE-CB 4.43Å; M574-L593 WeakPolarHBondContact CE-O 3.35Å; M574-L593 HydrophobicContact SD-CB 3.99Å; M574-L594 HydrophobicContact CB-CD2 3.9Å |
| 575 | V | 92.1 | Very high | 84.4 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 122.4 | 168.3 | -178.3 | 0 | 0 | 0 | 0 | 109 | V520 P522 G523 L524 L585 G586 L587 | V520-V575 HydrophobicContact CG1-CG1 4.3Å; V520-V575 HydrophobicContact CG1-CG2 4.05Å; P522-V575 CarbonylContact C-O 3.49Å; P522-V575 WeakPolarHBondContact CA-O 3.45Å; G523-V575 PolarHBondContact N-O 3.04Å; L524-V575 HydrophobicContact CB-CG2 4.35Å; L524-V575 PolarHBondContact O-N 2.8Å; V575-L585 HydrophobicContact CG1-CD2 4.24Å; V575-L585 HydrophobicContact CG2-CD1 4.47Å; V575-G586 CarbonylContact C-O 3.49Å; V575-L587 HydrophobicContact CG2-CD2 4Å |
| 576 | T | 91.2 | Very high | 84.8 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | -27.2 | -175.9 | 59.7 | 0 | 0 | 0 | 0 | 113.4 | S331 I332 M574 G586 L593 | S331-T576 WeakPolarHBondContact CA-O 3.35Å; S331-T576 PolarHBondContact OG-O 3.32Å; I332-T576 HydrophobicContact CG2-CG2 4.41Å; I332-T576 WeakPolarHBondContact CG2-O 3.09Å; I332-T576 PolarHBondContact N-O 3.34Å; M574-T576 PolarHBondContact O-N 2.86Å; T576-G586 PolarHBondContact N-O 3.17Å; T576-G586 VanDerWaalsContact OG1-C 3.25Å; T576-G586 PolarHBondContact OG1-O 2.73Å; T576-L593 HydrophobicContact CG2-CD1 3.99Å |
| 577 | F | 92.4 | Very high | 85.4 | Confident | 18 Ų | 18 | 40.5 Ų | 40.5 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 154 | 170.8 | 65.9 | -95.8 | 0 | 0 | 0 | 110.9 | L320 M329 L330 P348 M579 G586 | L320-F577 HydrophobicContact CB-CD1 4.22Å; L320-F577 HydrophobicContact CB-CE1 3.8Å; L320-F577 HydrophobicContact CB-CZ 4.25Å; L320-F577 HydrophobicContact CD2-CD1 4.24Å; M329-F577 HydrophobicContact SD-CB 4.3Å; M329-F577 HydrophobicContact SD-CD2 3.95Å; M329-F577 HydrophobicContact SD-CG 4.33Å; L330-F577 CarbonylContact O-C 3.58Å; L330-F577 WeakPolarHBondContact O-CA 3.31Å; L330-F577 WeakPolarHBondContact O-CB 3.4Å; P348-F577 HydrophobicContact CB-CD1 4.3Å; P348-F577 HydrophobicContact CG-CD1 4.44Å; F577-M579 HydrophobicContact CD2-CG 4.48Å; F577-M579 HydrophobicContact CD2-SD 4.34Å; F577-M579 HydrophobicContact CE2-CG 4.31Å; F577-M579 HydrophobicContact CE2-SD 4.26Å; F577-G586 VanDerWaalsContact CZ-CA 3.45Å; F577-G586 PolarHBondContact O-N 2.79Å |
| 578 | C | 89.8 | Confident | 85.8 | Confident | 15 Ų | 15 | 36.8 Ų | 36.8 | 10% | 0.101 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 125.6 | 176.2 | -55.5 | 0 | 0 | 0 | 0 | 109 | M329 L330 V520 L585 | M329-C578 VanDerWaalsContact CG-O 3.26Å; M329-C578 WeakPolarHBondContact CG-O 3.41Å; L330-C578 PolarHBondContact N-O 2.69Å; L330-C578 PolarHBondContact O-N 2.87Å; V520-C578 PolarHBondContact O-SG 3.36Å; V520-C578 VanDerWaalsContact O-SG 3.35Å; C578-L585 HydrophobicContact CB-CD2 4.31Å |
| 579 | M | 85.1 | Confident | 86.1 | Confident | 37 Ų | 37 | 34.1 Ų | 34.1 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | trans | -74.5 | 141.9 | 176.7 | -65.3 | -63.7 | -72.5 | 0 | 0 | 110.5 | E326 M329 F577 Q581 S582 I584 | E326-M579 HydrophobicContact CG-CE 4.45Å; M329-M579 HydrophobicContact CG-SD 4.15Å; M329-M579 HydrophobicContact SD-SD 3.62Å; M329-M579 VanDerWaalsContact SD-SD 3.62Å; F577-M579 HydrophobicContact CD2-CG 4.48Å; F577-M579 HydrophobicContact CD2-SD 4.34Å; F577-M579 HydrophobicContact CE2-CG 4.31Å; F577-M579 HydrophobicContact CE2-SD 4.26Å; M579-Q581 PolarHBondContact O-N 3.43Å; M579-S582 VanDerWaalsContact O-O 3.13Å; M579-I584 HydrophobicContact CG-CB 4.49Å | ||
| 580 | P | 77.4 | Confident | 86 | Confident | 61 Ų | 61 | 33.1 Ų | 33.1 | 40% | 0.396 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -25.9 | -172 | 25.5 | -31.7 | 0 | 0 | 0 | 114.1 | ||
| 581 | Q | 74.3 | Confident | 85.6 | Confident | 154 Ų | 154 | 28.8 Ų | 28.8 | 72% | 0.72 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -123.8 | 14 | -176.3 | -60.7 | -178.6 | 7.7 | 0 | 0 | 112.9 | M579 | M579-Q581 PolarHBondContact O-N 3.43Š|
| 582 | S | 76.2 | Confident | 85.1 | Confident | 47 Ų | 47 | 29.7 Ų | 29.7 | 33% | 0.329 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -142.9 | 142.6 | -171.3 | 155.4 | 0 | 0 | 0 | 0 | 109.5 | M579 I584 | M579-S582 VanDerWaalsContact O-O 3.13Å; S582-I584 PolarHBondContact O-N 2.92Å; S582-I584 VanDerWaalsContact OG-CB 3.24Å; S582-I584 WeakPolarHBondContact OG-CB 3.47Å; S582-I584 WeakPolarHBondContact OG-CD1 3.43Å; S582-I584 WeakPolarHBondContact OG-CG1 3.47Å; S582-I584 PolarHBondContact OG-N 2.91Å |
| 583 | T | 73 | Confident | 84.8 | Confident | 80 Ų | 80 | 27.5 Ų | 27.5 | 49% | 0.491 | 15% | 0.152 | S | C | . | . | trans | -77.6 | 2.6 | 174.5 | 60.8 | 0 | 0 | 0 | 0 | 112.7 | L517 L585 | L517-T583 HydrophobicContact CD2-CG2 4.12Å; T583-L585 PolarHBondContact O-N 2.78Å | ||
| 584 | I | 80.1 | Confident | 84.3 | Confident | 59 Ų | 59 | 28.3 Ų | 28.3 | 30% | 0.303 | 16% | 0.156 | S | C | . | . | trans | -67.6 | 121.1 | 176.9 | -62.5 | 168.3 | 0 | 0 | 0 | 109.2 | F315 M579 S582 | F315-I584 HydrophobicContact CE1-CD1 4.23Å; F315-I584 HydrophobicContact CZ-CD1 3.94Å; M579-I584 HydrophobicContact CG-CB 4.49Å; S582-I584 PolarHBondContact O-N 2.92Å; S582-I584 VanDerWaalsContact OG-CB 3.24Å; S582-I584 WeakPolarHBondContact OG-CB 3.47Å; S582-I584 WeakPolarHBondContact OG-CD1 3.43Å; S582-I584 WeakPolarHBondContact OG-CG1 3.47Å; S582-I584 PolarHBondContact OG-N 2.91Å | ||
| 585 | L | 85.9 | Confident | 83.6 | Confident | 23 Ų | 23 | 31.9 Ų | 31.9 | 12% | 0.12 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 136.3 | 175.6 | -57.8 | 174.5 | 0 | 0 | 0 | 109.7 | V520 L542 F544 V575 C578 T583 L587 | V520-L585 HydrophobicContact CG1-CD1 3.86Å; V520-L585 HydrophobicContact CG1-CD2 3.83Å; L542-L585 HydrophobicContact CD1-CD1 3.8Å; F544-L585 HydrophobicContact CE2-CD1 3.82Å; F544-L585 HydrophobicContact CZ-CD1 4.05Å; V575-L585 HydrophobicContact CG1-CD2 4.24Å; V575-L585 HydrophobicContact CG2-CD1 4.47Å; C578-L585 HydrophobicContact CB-CD2 4.31Å; T583-L585 PolarHBondContact O-N 2.78Å; L585-L587 HydrophobicContact CB-CD2 4.16Å; L585-L587 PolarHBondContact O-N 2.94Å |
| 586 | G | 88.1 | Confident | 82.8 | Confident | 6 Ų | 6 | 32.3 Ų | 32.3 | 6% | 0.062 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 117 | 166 | 0 | 0 | 0 | 0 | 0 | 110.3 | V575 T576 F577 | V575-G586 CarbonylContact C-O 3.49Å; T576-G586 PolarHBondContact N-O 3.17Å; T576-G586 VanDerWaalsContact OG1-C 3.25Å; T576-G586 PolarHBondContact OG1-O 2.73Å; F577-G586 VanDerWaalsContact CZ-CA 3.45Å; F577-G586 PolarHBondContact O-N 2.79Å |
| 587 | L | 91 | Very high | 81.7 | Confident | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 145.4 | -179.5 | -59.3 | -179.9 | 0 | 0 | 0 | 112.4 | V540 L542 V550 V573 M574 V575 L585 | V540-L587 HydrophobicContact CG2-CD1 3.61Å; L542-L587 HydrophobicContact CD1-CD1 4.16Å; L542-L587 HydrophobicContact CD1-CD2 4.35Å; L542-L587 HydrophobicContact CD2-CD1 4.26Å; L542-L587 HydrophobicContact CD2-CD2 4.45Å; L542-L587 HydrophobicContact CG-CD1 4.48Å; V550-L587 HydrophobicContact CG2-CB 3.84Å; V550-L587 HydrophobicContact CG2-CD1 4.29Å; V573-L587 HydrophobicContact CG2-CD2 4.43Å; M574-L587 WeakPolarHBondContact O-CA 3.45Å; V575-L587 HydrophobicContact CG2-CD2 4Å; L585-L587 HydrophobicContact CB-CD2 4.16Å; L585-L587 PolarHBondContact O-N 2.94Å |
| 588 | S | 89.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 129.6 | 173.6 | -173.7 | 0 | 0 | 0 | 0 | 111.6 | H554 M574 | H554-S588 WeakPolarHBondContact ND1-CB 3.46Å; H554-S588 PolarHBondContact ND1-OG 2.91Å; M574-S588 PolarHBondContact N-O 3.5Å; M574-S588 PolarHBondContact O-N 2.78Å |
| 589 | A | 89 | Confident | 78.9 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -100.8 | 14 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V550 H554 R556 I571 D572 V573 D591 | V550-A589 HydrophobicContact CG1-CB 4Å; H554-A589 CarbonylContact O-C 3.57Å; H554-A589 WeakPolarHBondContact O-CA 3.47Å; H554-A589 PolarHBondContact O-N 3.49Å; R556-A589 VanDerWaalsContact CA-O 3.27Å; R556-A589 WeakPolarHBondContact CA-O 3.44Å; R556-A589 WeakPolarHBondContact CG-O 3.49Å; R556-A589 PolarHBondContact N-O 3.09Å; I571-A589 HydrophobicContact CD1-CB 3.72Å; I571-A589 HydrophobicContact CG1-CB 4.03Å; D572-A589 WeakPolarHBondContact O-CB 3.34Å; V573-A589 HydrophobicContact CG1-CB 4.28Å; A589-D591 PolarHBondContact O-N 2.79Å | ||
| 590 | R | 85.1 | Confident | 77.9 | Confident | 17 Ų | 17 | 40.1 Ų | 40.1 | 6% | 0.064 | 22% | 0.223 | C | C | . | . | trans | -66.1 | 130.5 | 179.2 | -82.4 | -170.4 | 173.5 | -156.8 | -2.7 | 112 | S553 H554 L555 T592 L593 L594 Y670 | S553-R590 PolarHBondContact O-NE 2.84Å; S553-R590 PolarHBondContact O-NH2 2.74Å; H554-R590 PolarHBondContact O-N 3.02Å; H554-R590 VanDerWaalsContact O-N 3.16Å; L555-R590 VanDerWaalsContact O-CG 3.25Å; L555-R590 WeakPolarHBondContact O-CG 2.98Å; R590-T592 PolarHBondContact O-N 2.79Å; R590-L593 PolarHBondContact O-N 2.87Å; R590-L594 PolarHBondContact O-N 3.06Å; R590-Y670 VanDerWaalsContact NH1-CB 3.33Å | ||
| 591 | D | 78.5 | Confident | 76.9 | Confident | 16 Ų | 16 | 43.3 Ų | 43.3 | 9% | 0.086 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.5 | -27.5 | 173.5 | -77.4 | -15.4 | 0 | 0 | 0 | 112.1 | R556 H557 A589 L593 L594 R595 | R556-D591 WeakPolarHBondContact CG-OD1 3.43Å; R556-D591 IonicContact NE-OD1 2.78Å; H557-D591 IonicContact CE1-OD2 2.94Å; H557-D591 IonicContact NE2-OD2 3.77Å; A589-D591 PolarHBondContact O-N 2.79Å; D591-L593 PolarHBondContact O-N 3.23Å; D591-L594 PolarHBondContact O-N 3.19Å; D591-R595 CarbonylContact O-C 3.54Å; D591-R595 WeakPolarHBondContact O-CA 3.14Å; D591-R595 PolarHBondContact O-N 3.28Å; D591-R595 IonicContact OD1-CZ 3.94Å; D591-R595 IonicContact OD1-NE 3.89Å; D591-R595 IonicContact OD1-NH1 3.8Å; D591-R595 PolarHBondContact OD1-NH1 3.45Å; D591-R595 IonicContact OD1-NH2 3.94Å; D591-R595 IonicContact OD2-NH1 3.52Å; D591-R595 PolarHBondContact OD2-NH1 2.79Å |
| 592 | T | 77.4 | Confident | 75.8 | Confident | 30 Ų | 30 | 40.5 Ų | 40.5 | 18% | 0.184 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.6 | -12.2 | 175.9 | 57 | 0 | 0 | 0 | 0 | 114.3 | R590 R596 L599 Y670 L671 | R590-T592 PolarHBondContact O-N 2.79Å; T592-R596 WeakPolarHBondContact O-CB 3.45Å; T592-R596 PolarHBondContact O-NH1 3.01Å; T592-L599 HydrophobicContact CG2-CD1 4.05Å; T592-Y670 VanDerWaalsContact CB-O 3.25Å; T592-Y670 WeakPolarHBondContact CB-O 3.41Å; T592-Y670 VanDerWaalsContact CG2-O 3.29Å; T592-Y670 WeakPolarHBondContact CG2-O 3.32Å; T592-Y670 PolarHBondContact OG1-O 3.23Å; T592-L671 HydrophobicContact CG2-CB 4.23Å |
| 593 | L | 82.9 | Confident | 74.9 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -104.7 | -44.1 | 169 | -68 | 177.1 | 0 | 0 | 0 | 111.2 | L391 M574 T576 R590 D591 L669 Y670 | L391-L593 HydrophobicContact CD1-CD2 4.34Å; L391-L593 HydrophobicContact CD2-CD2 4.44Å; M574-L593 HydrophobicContact CE-CB 4.43Å; M574-L593 WeakPolarHBondContact CE-O 3.35Å; M574-L593 HydrophobicContact SD-CB 3.99Å; T576-L593 HydrophobicContact CG2-CD1 3.99Å; R590-L593 PolarHBondContact O-N 2.87Å; D591-L593 PolarHBondContact O-N 3.23Å; L593-L669 HydrophobicContact CD2-CD1 4.17Å; L593-L669 WeakPolarHBondContact CD2-O 3.41Å; L593-Y670 HydrophobicContact CD1-CD1 4.42Å; L593-Y670 HydrophobicContact CD1-CE1 4.15Å |
| 594 | L | 80.3 | Confident | 74.1 | Confident | 18 Ų | 18 | 41.3 Ų | 41.3 | 9% | 0.094 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -76.1 | -30.1 | -174.6 | -71 | 168.2 | 0 | 0 | 0 | 114.7 | L503 T525 D572 M574 R590 D591 | L503-L594 VanDerWaalsContact CD2-O 3.24Å; L503-L594 WeakPolarHBondContact CD2-O 3.47Å; T525-L594 HydrophobicContact CG2-CD2 3.77Å; D572-L594 HydrophobicContact CB-CD1 3.93Å; D572-L594 VanDerWaalsContact O-CD1 3.32Å; D572-L594 WeakPolarHBondContact O-CD1 3.23Å; M574-L594 HydrophobicContact CB-CD2 3.9Å; R590-L594 PolarHBondContact O-N 3.06Å; D591-L594 PolarHBondContact O-N 3.19Å |
| 595 | R | 75.8 | Confident | 73.2 | Confident | 76 Ų | 76 | 41.4 Ų | 41.4 | 29% | 0.287 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.5 | 26.6 | -176.3 | -60.3 | -176.6 | -178.2 | 121.9 | 15.2 | 111.9 | R556 D591 A597 S598 | R556-R595 VanDerWaalsContact CZ-NH2 3.28Å; D591-R595 CarbonylContact O-C 3.54Å; D591-R595 WeakPolarHBondContact O-CA 3.14Å; D591-R595 PolarHBondContact O-N 3.28Å; D591-R595 IonicContact OD1-CZ 3.94Å; D591-R595 IonicContact OD1-NE 3.89Å; D591-R595 IonicContact OD1-NH1 3.8Å; D591-R595 PolarHBondContact OD1-NH1 3.45Å; D591-R595 IonicContact OD1-NH2 3.94Å; D591-R595 IonicContact OD2-NH1 3.52Å; D591-R595 PolarHBondContact OD2-NH1 2.79Å; R595-A597 VanDerWaalsContact C-N 3.29Å; R595-A597 PolarHBondContact O-N 3.4Å; R595-S598 PolarHBondContact O-N 3.45Å; R595-S598 PolarHBondContact O-OG 3.36Å |
| 596 | R | 75.3 | Confident | 72.4 | Confident | 13 Ų | 13 | 41.2 Ų | 41.2 | 5% | 0.049 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -53 | -41.7 | -169.6 | -169.1 | -177.5 | -169.3 | 100.5 | -6.1 | 113.8 | S389 T592 S598 L599 D600 G668 L669 L671 | S389-R596 PolarHBondContact O-NH2 3.27Å; T592-R596 WeakPolarHBondContact O-CB 3.45Å; T592-R596 PolarHBondContact O-NH1 3.01Å; R596-S598 PolarHBondContact O-N 3.23Å; R596-S598 VanDerWaalsContact O-N 3.16Å; R596-L599 PolarHBondContact O-N 2.89Å; R596-D600 PolarHBondContact O-N 3.27Å; R596-G668 PolarHBondContact NH2-O 3.42Å; R596-L669 PolarHBondContact NH1-O 3.44Å; R596-L671 HydrophobicContact CG-CD1 4.13Å |
| 597 | A | 67.9 | Low | 71.5 | Confident | 36 Ų | 36 | 45 Ų | 45 | 30% | 0.298 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -55.3 | -34.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R595 L599 | R595-A597 VanDerWaalsContact C-N 3.29Å; R595-A597 PolarHBondContact O-N 3.4Å; A597-L599 VanDerWaalsContact C-N 3.35Å |
| 598 | S | 63.4 | Low | 70.6 | Confident | 71 Ų | 71 | 50.5 Ų | 50.5 | 50% | 0.497 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -76.2 | -20.7 | 177.7 | 69.7 | 0 | 0 | 0 | 0 | 113.9 | R595 R596 T601 | R595-S598 PolarHBondContact O-N 3.45Å; R595-S598 PolarHBondContact O-OG 3.36Å; R596-S598 PolarHBondContact O-N 3.23Å; R596-S598 VanDerWaalsContact O-N 3.16Å; S598-T601 PolarHBondContact O-OG1 2.98Å |
| 599 | L | 60.9 | Low | 69.7 | Low | 52 Ų | 52 | 51.1 Ų | 51.1 | 27% | 0.272 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -98.8 | -25.4 | -174.7 | -72 | 160.1 | 0 | 0 | 0 | 113.2 | T592 R596 A597 T601 T602 L671 | T592-L599 HydrophobicContact CG2-CD1 4.05Å; R596-L599 PolarHBondContact O-N 2.89Å; A597-L599 VanDerWaalsContact C-N 3.35Å; L599-T601 PolarHBondContact O-N 3.06Å; L599-T602 PolarHBondContact O-N 3.46Å; L599-T602 PolarHBondContact O-OG1 3.37Å; L599-L671 HydrophobicContact CB-CD1 4.25Å |
| 600 | D | 63.3 | Low | 69.4 | Low | 76 Ų | 76 | 55 Ų | 55 | 41% | 0.406 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -62.6 | -27.2 | 179.9 | -83.6 | -20.4 | 0 | 0 | 0 | 112.3 | R596 T602 | R596-D600 PolarHBondContact O-N 3.27Å; D600-T602 PolarHBondContact O-N 3.06Å |
| 601 | T | 57 | Low | 69.4 | Low | 128 Ų | 128 | 57.4 Ų | 57.4 | 79% | 0.785 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -69 | -16.5 | 174.6 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | S598 L599 | S598-T601 PolarHBondContact O-OG1 2.98Å; L599-T601 PolarHBondContact O-N 3.06Å |
| 602 | T | 51.4 | Low | 69.8 | Low | 95 Ų | 95 | 57.2 Ų | 57.2 | 58% | 0.583 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -102.7 | -4.8 | -175.9 | -2.5 | 0 | 0 | 0 | 0 | 114.2 | L599 D600 | L599-T602 PolarHBondContact O-N 3.46Å; L599-T602 PolarHBondContact O-OG1 3.37Å; D600-T602 PolarHBondContact O-N 3.06Å |
| 603 | Y | 57.1 | Low | 70.4 | Confident | 47 Ų | 47 | 61 Ų | 61 | 18% | 0.184 | 34% | 0.338 | C | S | . | . | trans | -121.8 | 142.3 | 179.8 | -96.2 | -106.8 | 0 | 0 | 0 | 110.8 | S632 L666 L671 Y673 | Y603-S632 WeakPolarHBondContact OH-CB 3.39Å; Y603-L666 HydrophobicContact CD1-CD1 4.07Å; Y603-L666 HydrophobicContact CE1-CD1 3.92Å; Y603-L671 PolarHBondContact OH-O 3.3Å; Y603-L671 VanDerWaalsContact OH-O 3.06Å; Y603-Y673 HydrophobicContact CD1-CE1 4.44Å; Y603-Y673 AromaticContact CD1-CE2 3.78Å; Y603-Y673 HydrophobicContact CD1-CE2 3.78Å; Y603-Y673 AromaticContact CD1-CZ 3.58Å; Y603-Y673 VanDerWaalsContact CD1-OH 3.27Å; Y603-Y673 WeakPolarHBondContact CD1-OH 3.31Å; Y603-Y673 AromaticContact CE1-CD2 3.75Å; Y603-Y673 HydrophobicContact CE1-CD2 3.75Å; Y603-Y673 HydrophobicContact CE1-CE1 4.28Å; Y603-Y673 AromaticContact CE1-CE2 3.06Å; Y603-Y673 HydrophobicContact CE1-CE2 3.06Å; Y603-Y673 AromaticContact CE1-CZ 3.37Å; Y603-Y673 AromaticContact CZ-CE2 3.73Å | ||
| 604 | P | 56.3 | Low | 70.7 | Confident | 98 Ų | 98 | 61 Ų | 61 | 64% | 0.636 | 34% | 0.339 | S | S | * | . | cis | -109.9 | 117.1 | 9.6 | 33.1 | -19.6 | 0 | 0 | 0 | 112.9 | Y673 | P604-Y673 VanDerWaalsContact CA-OH 3.25Å; P604-Y673 WeakPolarHBondContact CA-OH 3.36Å; P604-Y673 WeakPolarHBondContact CB-OH 3.42Å | ||
| 605 | S | 61 | Low | 71.2 | Confident | 61 Ų | 61 | 66.2 Ų | 66.2 | 43% | 0.427 | 36% | 0.361 | S | S | . | . | trans | -75 | -25.3 | 170.4 | 54.8 | 0 | 0 | 0 | 0 | 113.9 | D630 Y673 | S605-D630 WeakPolarHBondContact CB-OD2 3.42Å; S605-D630 PolarHBondContact OG-OD2 2.89Å; S605-Y673 PolarHBondContact N-OH 3.14Å | ||
| 606 | L | 68.9 | Low | 71.9 | Confident | 19 Ų | 19 | 62.7 Ų | 62.7 | 10% | 0.099 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -113 | 127.1 | -171.9 | -67.2 | 164.1 | 0 | 0 | 0 | 111.4 | C612 M628 I663 Y673 | L606-C612 HydrophobicContact CD2-CB 4.36Å; L606-M628 HydrophobicContact CD1-CE 4.01Å; L606-M628 HydrophobicContact CD1-CG 4.19Å; L606-M628 HydrophobicContact CD2-CE 4.44Å; L606-I663 HydrophobicContact CB-CG1 4.4Å; L606-Y673 HydrophobicContact CB-CD1 4.33Å; L606-Y673 HydrophobicContact CB-CD2 4.46Å; L606-Y673 HydrophobicContact CB-CE1 3.84Å; L606-Y673 HydrophobicContact CB-CE2 3.96Å; L606-Y673 HydrophobicContact CD1-CD2 3.85Å; L606-Y673 HydrophobicContact CD1-CE2 3.72Å; L606-Y673 HydrophobicContact CG-CE2 4.25Å; L606-Y673 PolarHBondContact N-OH 3.36Å; L606-Y673 VanDerWaalsContact O-CE1 3.3Å; L606-Y673 WeakPolarHBondContact O-CE1 3.43Å |
| 607 | C | 69.9 | Low | 72.3 | Confident | 85 Ų | 85 | 63.5 Ų | 63.5 | 57% | 0.574 | 36% | 0.355 | S | S | * | . | trans | -87.8 | 146.8 | -179.5 | -68.2 | 0 | 0 | 0 | 0 | 112 | G609 Q610 I663 | C607-G609 PolarHBondContact O-N 2.93Å; C607-Q610 HydrophobicContact CB-CB 4.38Å; C607-Q610 WeakPolarHBondContact O-CB 3.39Å; C607-Q610 PolarHBondContact O-N 3.04Å; C607-Q610 VanDerWaalsContact O-N 3.11Å; C607-I663 WeakPolarHBondContact O-CB 3.46Å | ||
| 608 | K | 71.2 | Confident | 72.9 | Confident | 121 Ų | 121 | 65.1 Ų | 65.1 | 53% | 0.526 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 135.8 | 169.8 | -175.7 | 177.5 | 173.8 | -167.8 | 0 | 109.7 | Q610 V664 | K608-Q610 VanDerWaalsContact C-N 3.26Å; K608-Q610 PolarHBondContact O-N 3.31Å; K608-V664 WeakPolarHBondContact CE-O 3.32Å; K608-V664 WeakPolarHBondContact CG-O 3.32Å |
| 609 | G | 72 | Confident | 73.7 | Confident | 14 Ų | 14 | 63.2 Ų | 63.2 | 14% | 0.144 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -19.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | C607 R662 I663 | C607-G609 PolarHBondContact O-N 2.93Å; G609-R662 WeakPolarHBondContact O-CD 3.42Å; G609-R662 VanDerWaalsContact O-CG 3.31Å; G609-R662 WeakPolarHBondContact O-CG 3.44Å; G609-I663 WeakPolarHBondContact CA-O 3.23Å; G609-I663 PolarHBondContact N-O 3.24Å |
| 610 | Q | 81.3 | Confident | 74.3 | Confident | 80 Ų | 80 | 63.4 Ų | 63.4 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | trans | -60.4 | 138.8 | 177.9 | -171.4 | 179.4 | -4.7 | 0 | 0 | 111.1 | C607 K608 R662 I663 | C607-Q610 HydrophobicContact CB-CB 4.38Å; C607-Q610 WeakPolarHBondContact O-CB 3.39Å; C607-Q610 PolarHBondContact O-N 3.04Å; C607-Q610 VanDerWaalsContact O-N 3.11Å; K608-Q610 VanDerWaalsContact C-N 3.26Å; K608-Q610 PolarHBondContact O-N 3.31Å; Q610-R662 WeakPolarHBondContact O-CA 3.43Å; Q610-I663 PolarHBondContact O-N 2.85Å | ||
| 611 | I | 85.7 | Confident | 74.6 | Confident | 68 Ų | 68 | 69.1 Ų | 69.1 | 35% | 0.349 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 124.1 | 174.6 | -58.6 | 177.3 | 0 | 0 | 0 | 108.3 | K660 M661 R662 L682 | I611-K660 HydrophobicContact CG2-CD 4.17Å; I611-K660 HydrophobicContact CG2-CG 3.85Å; I611-M661 WeakPolarHBondContact CA-O 3.05Å; I611-R662 HydrophobicContact CG1-CB 4.41Å; I611-R662 HydrophobicContact CG1-CG 4.33Å; I611-L682 HydrophobicContact CG2-CD2 4.12Å |
| 612 | C | 87.4 | Confident | 75.4 | Confident | 12 Ų | 12 | 68.1 Ų | 68.1 | 8% | 0.081 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 175.1 | -175.8 | 63.4 | 0 | 0 | 0 | 0 | 111.7 | L606 M628 M661 I663 | L606-C612 HydrophobicContact CD2-CB 4.36Å; C612-M628 HydrophobicContact CB-CE 3.71Å; C612-M628 WeakPolarHBondContact SG-CE 3.06Å; C612-M661 PolarHBondContact N-O 3.12Å; C612-M661 PolarHBondContact O-N 3.17Å; C612-I663 VanDerWaalsContact SG-CD1 3.58Å |
| 613 | Y | 90.3 | Very high | 76.8 | Confident | 110 Ų | 110 | 64 Ų | 64 | 43% | 0.431 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 136.6 | 176.2 | -69.2 | -99.8 | 0 | 0 | 0 | 110.4 | M628 H659 K660 | Y613-M628 VanDerWaalsContact O-CE 3.31Å; Y613-M628 WeakPolarHBondContact O-CE 3.34Å; Y613-H659 WeakPolarHBondContact CA-O 3.08Å; Y613-K660 HydrophobicContact CD1-CB 4.04Å; Y613-K660 HydrophobicContact CE1-CB 3.6Å; Y613-K660 HydrophobicContact CE1-CD 4.37Å; Y613-K660 HydrophobicContact CE1-CG 4Å; Y613-K660 HydrophobicContact CE2-CD 4.43Å; Y613-K660 HydrophobicContact CE2-CG 4.15Å; Y613-K660 WeakPolarHBondContact OH-CD 3.34Å |
| 614 | G | 89.1 | Confident | 78.3 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 153.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R658 H659 | G614-R658 WeakPolarHBondContact O-CA 3.49Å; G614-H659 PolarHBondContact N-O 3.26Å; G614-H659 PolarHBondContact O-N 3.23Å |
| 615 | K | 90.9 | Very high | 79.7 | Confident | 126 Ų | 126 | 57.6 Ų | 57.6 | 55% | 0.548 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 133 | 176.6 | -70.9 | -179.5 | -179.2 | 175.3 | 0 | 110.2 | C617 F626 K627 S657 R658 | K615-C617 PolarHBondContact O-N 2.89Å; K615-F626 CarbonylContact O-C 3.53Å; K615-F626 VanDerWaalsContact O-CA 3.23Å; K615-F626 WeakPolarHBondContact O-CA 3.24Å; K615-K627 PolarHBondContact N-O 2.84Å; K615-K627 PolarHBondContact O-N 3.2Å; K615-S657 CarbonylContact C-O 3.59Å; K615-S657 WeakPolarHBondContact CA-O 3.39Å; K615-R658 HydrophobicContact CG-CB 4.34Å; K615-R658 HydrophobicContact CG-CG 4.31Å |
| 616 | V | 89.6 | Confident | 81 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 122.9 | 177.6 | 178 | 0 | 0 | 0 | 0 | 109.8 | V624 F626 Y653 K654 G656 S657 | V616-V624 HydrophobicContact CB-CG1 4.29Å; V616-V624 HydrophobicContact CG1-CG1 3.71Å; V616-V624 HydrophobicContact CG2-CG1 3.74Å; V616-F626 HydrophobicContact CG2-CD1 3.8Å; V616-F626 HydrophobicContact CG2-CE1 3.45Å; V616-F626 VanDerWaalsContact CG2-CE1 3.45Å; V616-F626 HydrophobicContact CG2-CZ 4.36Å; V616-Y653 HydrophobicContact CG2-CD1 4.32Å; V616-K654 WeakPolarHBondContact CB-O 3.41Å; V616-G656 PolarHBondContact O-N 3.04Å; V616-S657 WeakPolarHBondContact CG2-O 3.03Å; V616-S657 PolarHBondContact N-O 3.25Å |
| 617 | C | 84.1 | Confident | 81.9 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 20% | 0.203 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | -28.1 | 173.2 | 59.7 | 0 | 0 | 0 | 0 | 112.5 | K615 T625 K627 | K615-C617 PolarHBondContact O-N 2.89Å; C617-T625 PolarHBondContact N-O 3.06Å; C617-T625 PolarHBondContact SG-O 3.34Å; C617-K627 HydrophobicContact CB-CB 4.21Å |
| 618 | F | 80.8 | Confident | 82.6 | Confident | 70 Ų | 70 | 53.9 Ų | 53.9 | 31% | 0.307 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 137.8 | 178.2 | -178.1 | -98.6 | 0 | 0 | 0 | 109.8 | D620 V624 T625 | F618-D620 HydrophobicContact CE1-CB 3.82Å; F618-D620 HydrophobicContact CZ-CB 3.91Å; F618-V624 WeakPolarHBondContact O-CA 3.45Å; F618-T625 PolarHBondContact N-O 3.43Å; F618-T625 PolarHBondContact O-N 3.1Å |
| 619 | S | 79.9 | Confident | 82.9 | Confident | 31 Ų | 31 | 55.2 Ų | 55.2 | 22% | 0.217 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 117.8 | -175.8 | -172.5 | 0 | 0 | 0 | 0 | 108.8 | Y653 | S619-Y653 WeakPolarHBondContact CB-O 3.25Å; S619-Y653 PolarHBondContact OG-O 3.42Å; S619-Y653 VanDerWaalsContact OG-O 3.13Å |
| 620 | D | 72.5 | Confident | 82.9 | Confident | 56 Ų | 56 | 58 Ų | 58 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | trans | -139.6 | -169.5 | 179.8 | 77.2 | -3.7 | 0 | 0 | 0 | 111.6 | F618 T622 G623 | F618-D620 HydrophobicContact CE1-CB 3.82Å; F618-D620 HydrophobicContact CZ-CB 3.91Å; D620-T622 VanDerWaalsContact CG-OG1 3.27Å; D620-T622 PolarHBondContact O-N 2.95Å; D620-T622 VanDerWaalsContact OD1-CA 3.32Å; D620-T622 WeakPolarHBondContact OD1-CA 3.26Å; D620-T622 WeakPolarHBondContact OD1-CB 3.49Å; D620-T622 PolarHBondContact OD1-N 3.36Å; D620-T622 PolarHBondContact OD1-OG1 2.85Å; D620-T622 PolarHBondContact OD2-OG1 2.85Å; D620-G623 PolarHBondContact N-O 3Å; D620-G623 PolarHBondContact OD1-N 2.72Å | ||
| 621 | K | 70.1 | Confident | 82.4 | Confident | 196 Ų | 196 | 59.9 Ų | 59.9 | 85% | 0.852 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -69.3 | -22 | 178.2 | -59.7 | -176.2 | -176.4 | -179.9 | 0 | 112.9 | T638 | K621-T638 PolarHBondContact O-OG1 3.3Š|
| 622 | T | 72.8 | Confident | 81.9 | Confident | 107 Ų | 107 | 56.8 Ų | 56.8 | 66% | 0.656 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -90.3 | -26.1 | -175.1 | 76 | 0 | 0 | 0 | 0 | 112.9 | D620 T638 | D620-T622 VanDerWaalsContact CG-OG1 3.27Å; D620-T622 PolarHBondContact O-N 2.95Å; D620-T622 VanDerWaalsContact OD1-CA 3.32Å; D620-T622 WeakPolarHBondContact OD1-CA 3.26Å; D620-T622 WeakPolarHBondContact OD1-CB 3.49Å; D620-T622 PolarHBondContact OD1-N 3.36Å; D620-T622 PolarHBondContact OD1-OG1 2.85Å; D620-T622 PolarHBondContact OD2-OG1 2.85Å; T622-T638 PolarHBondContact O-N 2.92Å; T622-T638 VanDerWaalsContact O-N 3.1Å; T622-T638 PolarHBondContact O-OG1 2.85Å |
| 623 | G | 82.4 | Confident | 81.6 | Confident | 7 Ų | 7 | 58 Ų | 58 | 7% | 0.072 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.1 | -161.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D620 C636 T638 | D620-G623 PolarHBondContact N-O 3Å; D620-G623 PolarHBondContact OD1-N 2.72Å; G623-C636 CarbonylContact C-O 3.51Å; G623-C636 VanDerWaalsContact CA-O 3.3Å; G623-C636 WeakPolarHBondContact CA-O 3.31Å; G623-T638 WeakPolarHBondContact CA-OG1 3.36Å; G623-T638 PolarHBondContact N-OG1 3Å |
| 624 | V | 87.6 | Confident | 81.3 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132.8 | -178.7 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | V616 F618 F626 C636 L641 I649 Y653 | V616-V624 HydrophobicContact CB-CG1 4.29Å; V616-V624 HydrophobicContact CG1-CG1 3.71Å; V616-V624 HydrophobicContact CG2-CG1 3.74Å; F618-V624 WeakPolarHBondContact O-CA 3.45Å; V624-F626 HydrophobicContact CB-CE2 4.1Å; V624-F626 HydrophobicContact CB-CZ 4.13Å; V624-F626 HydrophobicContact CG1-CD1 4.45Å; V624-F626 HydrophobicContact CG1-CD2 4.38Å; V624-F626 HydrophobicContact CG1-CE1 3.91Å; V624-F626 HydrophobicContact CG1-CE2 3.82Å; V624-F626 HydrophobicContact CG1-CZ 3.56Å; V624-C636 PolarHBondContact N-O 3.5Å; V624-C636 PolarHBondContact O-N 3.16Å; V624-L641 HydrophobicContact CB-CD2 4.19Å; V624-L641 HydrophobicContact CG2-CD1 3.9Å; V624-L641 HydrophobicContact CG2-CD2 3.85Å; V624-I649 HydrophobicContact CG2-CG2 3.86Å; V624-Y653 HydrophobicContact CG1-CD1 4.3Å; V624-Y653 HydrophobicContact CG1-CG 4.49Å; V624-Y653 HydrophobicContact CG2-CD1 4.32Å; V624-Y653 HydrophobicContact CG2-CD2 4.31Å; V624-Y653 HydrophobicContact CG2-CG 3.92Å |
| 625 | T | 86.7 | Confident | 81.2 | Confident | 9 Ų | 9 | 54.1 Ų | 54.1 | 6% | 0.055 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 130.8 | 171.4 | -52.2 | 0 | 0 | 0 | 0 | 109.1 | P558 C617 F618 Y633 V634 Q635 | P558-T625 HydrophobicContact CB-CG2 4.3Å; C617-T625 PolarHBondContact N-O 3.06Å; C617-T625 PolarHBondContact SG-O 3.34Å; F618-T625 PolarHBondContact N-O 3.43Å; F618-T625 PolarHBondContact O-N 3.1Å; T625-Y633 HydrophobicContact CG2-CD1 4.2Å; T625-V634 CarbonylContact C-O 3.58Å; T625-V634 WeakPolarHBondContact CA-O 2.88Å; T625-Q635 HydrophobicContact CG2-CG 4.14Å |
| 626 | F | 88.7 | Confident | 81.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 140.3 | 177.5 | -56.1 | -89.1 | 0 | 0 | 0 | 109.7 | K615 V616 V624 Y633 V634 C636 Y653 H659 M661 | K615-F626 CarbonylContact O-C 3.53Å; K615-F626 VanDerWaalsContact O-CA 3.23Å; K615-F626 WeakPolarHBondContact O-CA 3.24Å; V616-F626 HydrophobicContact CG2-CD1 3.8Å; V616-F626 HydrophobicContact CG2-CE1 3.45Å; V616-F626 VanDerWaalsContact CG2-CE1 3.45Å; V616-F626 HydrophobicContact CG2-CZ 4.36Å; V624-F626 HydrophobicContact CB-CE2 4.1Å; V624-F626 HydrophobicContact CB-CZ 4.13Å; V624-F626 HydrophobicContact CG1-CD1 4.45Å; V624-F626 HydrophobicContact CG1-CD2 4.38Å; V624-F626 HydrophobicContact CG1-CE1 3.91Å; V624-F626 HydrophobicContact CG1-CE2 3.82Å; V624-F626 HydrophobicContact CG1-CZ 3.56Å; F626-Y633 CarbonylContact O-C 3.54Å; F626-Y633 WeakPolarHBondContact O-CA 3.45Å; F626-V634 HydrophobicContact CB-CB 4.31Å; F626-V634 PolarHBondContact N-O 2.88Å; F626-V634 PolarHBondContact O-N 2.91Å; F626-C636 HydrophobicContact CD2-CB 4.44Å; F626-C636 HydrophobicContact CE2-CB 3.73Å; F626-Y653 HydrophobicContact CE1-CD1 4.27Å; F626-Y653 HydrophobicContact CZ-CD1 4.02Å; F626-Y653 HydrophobicContact CZ-CE1 4.05Å; F626-H659 HydrophobicContact CE1-CB 3.76Å; F626-H659 AromaticContact CE1-CD2 4Å; F626-H659 HydrophobicContact CZ-CB 4.29Å; F626-M661 HydrophobicContact CB-CE 3.89Å; F626-M661 HydrophobicContact CB-SD 4.37Å; F626-M661 HydrophobicContact CD1-CE 3.6Å; F626-M661 HydrophobicContact CD2-CE 3.69Å; F626-M661 HydrophobicContact CD2-SD 3.73Å; F626-M661 HydrophobicContact CE1-CE 4Å; F626-M661 HydrophobicContact CE2-CE 4.08Å; F626-M661 HydrophobicContact CE2-SD 4.17Å; F626-M661 HydrophobicContact CG-CE 3.44Å; F626-M661 VanDerWaalsContact CG-CE 3.44Å; F626-M661 HydrophobicContact CG-SD 4.03Å; F626-M661 HydrophobicContact CZ-CE 4.23Å |
| 627 | K | 86 | Confident | 80.9 | Confident | 73 Ų | 73 | 50.6 Ų | 50.6 | 32% | 0.317 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 127.4 | 166.9 | -170.2 | 175.2 | -177.7 | 178.4 | 0 | 108.5 | K615 C617 Y633 | K615-K627 PolarHBondContact N-O 2.84Å; K615-K627 PolarHBondContact O-N 3.2Å; C617-K627 HydrophobicContact CB-CB 4.21Å; K627-Y633 HydrophobicContact CB-CD1 4.36Å; K627-Y633 HydrophobicContact CB-CE1 4.16Å; K627-Y633 HydrophobicContact CD-CE1 4.23Å; K627-Y633 HydrophobicContact CG-CD1 4.49Å; K627-Y633 HydrophobicContact CG-CE1 4.04Å |
| 628 | M | 85.9 | Confident | 80.9 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 7% | 0.074 | 26% | 0.255 | C | S | . | . | trans | -90.5 | 171.7 | 179.3 | -57.9 | -58.4 | -72.6 | 0 | 0 | 110.7 | L606 C612 Y613 D630 Q631 S632 V634 | L606-M628 HydrophobicContact CD1-CE 4.01Å; L606-M628 HydrophobicContact CD1-CG 4.19Å; L606-M628 HydrophobicContact CD2-CE 4.44Å; C612-M628 HydrophobicContact CB-CE 3.71Å; C612-M628 WeakPolarHBondContact SG-CE 3.06Å; Y613-M628 VanDerWaalsContact O-CE 3.31Å; Y613-M628 WeakPolarHBondContact O-CE 3.34Å; M628-D630 VanDerWaalsContact C-N 3.34Å; M628-D630 WeakPolarHBondContact CB-OD1 2.93Å; M628-Q631 PolarHBondContact O-N 3.1Å; M628-S632 VanDerWaalsContact CB-OG 3.25Å; M628-S632 WeakPolarHBondContact CB-OG 3.44Å; M628-S632 VanDerWaalsContact CG-OG 3.29Å; M628-S632 WeakPolarHBondContact CG-OG 3.48Å; M628-S632 PolarHBondContact N-O 3.44Å; M628-V634 HydrophobicContact CG-CG2 3.49Å; M628-V634 VanDerWaalsContact CG-CG2 3.49Å; M628-V634 HydrophobicContact SD-CG2 3.61Å | ||
| 629 | E | 77.3 | Confident | 80.9 | Confident | 148 Ų | 148 | 54.8 Ų | 54.8 | 69% | 0.692 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -33.1 | -179.1 | -71.6 | 171 | -165 | 0 | 0 | 112.2 | Q631 R658 | E629-Q631 PolarHBondContact O-N 2.91Å; E629-R658 IonicContact OE1-CZ 3.98Å; E629-R658 IonicContact OE1-NH2 3.36Å; E629-R658 PolarHBondContact OE1-NH2 2.84Å |
| 630 | D | 72.1 | Confident | 81.1 | Confident | 73 Ų | 73 | 58.7 Ų | 58.7 | 39% | 0.39 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 14.9 | 173.7 | 67.2 | -8.7 | 0 | 0 | 0 | 113.8 | S605 M628 S632 | S605-D630 WeakPolarHBondContact CB-OD2 3.42Å; S605-D630 PolarHBondContact OG-OD2 2.89Å; M628-D630 VanDerWaalsContact C-N 3.34Å; M628-D630 WeakPolarHBondContact CB-OD1 2.93Å; D630-S632 PolarHBondContact O-N 3.22Å; D630-S632 VanDerWaalsContact O-N 3.13Å; D630-S632 WeakPolarHBondContact OD1-CB 3.46Å; D630-S632 PolarHBondContact OD1-N 3.21Å; D630-S632 PolarHBondContact OD1-OG 3.37Å; D630-S632 PolarHBondContact OD2-OG 3.05Å |
| 631 | Q | 71.6 | Confident | 81.9 | Confident | 119 Ų | 119 | 56 Ų | 56 | 56% | 0.556 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 63.6 | 6.2 | -175.1 | -50.4 | -68.4 | -48.6 | 0 | 0 | 115.4 | M628 E629 | M628-Q631 PolarHBondContact O-N 3.1Å; E629-Q631 PolarHBondContact O-N 2.91Å |
| 632 | S | 74.9 | Confident | 82.6 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 3% | 0.028 | 24% | 0.244 | C | C | . | . | trans | -70.2 | 156.3 | 173.3 | 69.5 | 0 | 0 | 0 | 0 | 112.2 | Y603 M628 D630 | Y603-S632 WeakPolarHBondContact OH-CB 3.39Å; M628-S632 VanDerWaalsContact CB-OG 3.25Å; M628-S632 WeakPolarHBondContact CB-OG 3.44Å; M628-S632 VanDerWaalsContact CG-OG 3.29Å; M628-S632 WeakPolarHBondContact CG-OG 3.48Å; M628-S632 PolarHBondContact N-O 3.44Å; D630-S632 PolarHBondContact O-N 3.22Å; D630-S632 VanDerWaalsContact O-N 3.13Å; D630-S632 WeakPolarHBondContact OD1-CB 3.46Å; D630-S632 PolarHBondContact OD1-N 3.21Å; D630-S632 PolarHBondContact OD1-OG 3.37Å; D630-S632 PolarHBondContact OD2-OG 3.05Å | ||
| 633 | Y | 79.8 | Confident | 83 | Confident | 36 Ų | 36 | 51.6 Ų | 51.6 | 14% | 0.141 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.9 | 179.1 | -66.5 | -79.8 | 0 | 0 | 0 | 111.3 | P558 T625 F626 K627 Y673 | P558-Y633 HydrophobicContact CG-CD1 4.18Å; P558-Y633 HydrophobicContact CG-CD2 4.19Å; P558-Y633 HydrophobicContact CG-CE1 4.48Å; P558-Y633 HydrophobicContact CG-CG 4.02Å; T625-Y633 HydrophobicContact CG2-CD1 4.2Å; F626-Y633 CarbonylContact O-C 3.54Å; F626-Y633 WeakPolarHBondContact O-CA 3.45Å; K627-Y633 HydrophobicContact CB-CD1 4.36Å; K627-Y633 HydrophobicContact CB-CE1 4.16Å; K627-Y633 HydrophobicContact CD-CE1 4.23Å; K627-Y633 HydrophobicContact CG-CD1 4.49Å; K627-Y633 HydrophobicContact CG-CE1 4.04Å; Y633-Y673 PolarHBondContact O-N 3.26Å |
| 634 | V | 85.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 121.9 | 179.2 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | T625 F626 M628 M661 I663 Y673 A675 | T625-V634 CarbonylContact C-O 3.58Å; T625-V634 WeakPolarHBondContact CA-O 2.88Å; F626-V634 HydrophobicContact CB-CB 4.31Å; F626-V634 PolarHBondContact N-O 2.88Å; F626-V634 PolarHBondContact O-N 2.91Å; M628-V634 HydrophobicContact CG-CG2 3.49Å; M628-V634 VanDerWaalsContact CG-CG2 3.49Å; M628-V634 HydrophobicContact SD-CG2 3.61Å; V634-M661 HydrophobicContact CB-SD 4.15Å; V634-M661 HydrophobicContact CG1-SD 3.73Å; V634-I663 HydrophobicContact CG1-CD1 4.04Å; V634-I663 HydrophobicContact CG2-CD1 4.29Å; V634-Y673 CarbonylContact C-O 3.57Å; V634-Y673 WeakPolarHBondContact CA-O 3.45Å; V634-Y673 HydrophobicContact CG2-CD2 4.33Å; V634-A675 HydrophobicContact CG1-CB 3.35Å |
| 635 | Q | 86.7 | Confident | 82.5 | Confident | 31 Ų | 31 | 62 Ų | 62 | 15% | 0.145 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 129.4 | 177.4 | -64.4 | -168.4 | -21.5 | 0 | 0 | 111.3 | T625 Y673 F674 A675 | T625-Q635 HydrophobicContact CG2-CG 4.14Å; Q635-Y673 PolarHBondContact N-O 3.38Å; Q635-F674 HydrophobicContact CB-CD1 4.48Å; Q635-F674 WeakPolarHBondContact O-CA 3.44Å; Q635-A675 PolarHBondContact O-N 3.21Å |
| 636 | C | 88 | Confident | 81.9 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 110.4 | 173.8 | -169.1 | 0 | 0 | 0 | 0 | 109.2 | G623 V624 F626 L641 A675 | G623-C636 CarbonylContact C-O 3.51Å; G623-C636 VanDerWaalsContact CA-O 3.3Å; G623-C636 WeakPolarHBondContact CA-O 3.31Å; V624-C636 PolarHBondContact N-O 3.5Å; V624-C636 PolarHBondContact O-N 3.16Å; F626-C636 HydrophobicContact CD2-CB 4.44Å; F626-C636 HydrophobicContact CE2-CB 3.73Å; C636-L641 HydrophobicContact CB-CD2 4.14Å; C636-A675 PolarHBondContact SG-O 3.32Å |
| 637 | S | 86.8 | Confident | 81.4 | Confident | 53 Ų | 53 | 71.6 Ų | 71.6 | 37% | 0.371 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 151.8 | 177.5 | 68.1 | 0 | 0 | 0 | 0 | 111.2 | K639 R640 L641 | S637-K639 PolarHBondContact O-N 3.15Å; S637-K639 VanDerWaalsContact O-N 3.08Å; S637-R640 PolarHBondContact O-N 2.82Å; S637-L641 PolarHBondContact O-N 2.71Å |
| 638 | T | 82.3 | Confident | 81.2 | Confident | 26 Ų | 26 | 72.7 Ų | 72.7 | 16% | 0.16 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -48.4 | -42.6 | 177.4 | -56.4 | 0 | 0 | 0 | 0 | 113.2 | K621 T622 G623 R640 L641 M646 I649 | K621-T638 PolarHBondContact O-OG1 3.3Å; T622-T638 PolarHBondContact O-N 2.92Å; T622-T638 VanDerWaalsContact O-N 3.1Å; T622-T638 PolarHBondContact O-OG1 2.85Å; G623-T638 WeakPolarHBondContact CA-OG1 3.36Å; G623-T638 PolarHBondContact N-OG1 3Å; T638-R640 PolarHBondContact O-N 2.84Å; T638-R640 VanDerWaalsContact O-N 3.14Å; T638-L641 WeakPolarHBondContact O-CB 3.43Å; T638-L641 PolarHBondContact O-N 2.96Å; T638-M646 HydrophobicContact CG2-CE 3.57Å; T638-M646 WeakPolarHBondContact O-CE 3.12Å; T638-I649 HydrophobicContact CG2-CD1 3.61Å |
| 639 | K | 80.6 | Confident | 80.9 | Confident | 162 Ų | 162 | 73 Ų | 73 | 70% | 0.704 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -61.7 | -22.9 | 178.7 | -64 | -174.3 | -179.9 | -175.8 | 0 | 114 | S637 R678 | S637-K639 PolarHBondContact O-N 3.15Å; S637-K639 VanDerWaalsContact O-N 3.08Å; K639-R678 PolarHBondContact O-NE 2.54Å; K639-R678 PolarHBondContact O-NH2 3.43Å |
| 640 | R | 86.2 | Confident | 80.9 | Confident | 113 Ų | 113 | 69.3 Ų | 69.3 | 43% | 0.426 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -103.9 | 4.4 | -177 | -71.2 | -172.7 | -179.8 | -101.8 | 4 | 113.5 | S637 T638 S676 C677 R678 | S637-R640 PolarHBondContact O-N 2.82Å; T638-R640 PolarHBondContact O-N 2.84Å; T638-R640 VanDerWaalsContact O-N 3.14Å; R640-S676 PolarHBondContact O-OG 2.96Å; R640-C677 PolarHBondContact O-N 2.85Å; R640-R678 PolarHBondContact O-N 2.94Å |
| 641 | L | 88.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -73.4 | 170.4 | 169.4 | -60.5 | 173.9 | 0 | 0 | 0 | 110.7 | V624 C636 S637 T638 Q643 I649 Y653 R678 | V624-L641 HydrophobicContact CB-CD2 4.19Å; V624-L641 HydrophobicContact CG2-CD1 3.9Å; V624-L641 HydrophobicContact CG2-CD2 3.85Å; C636-L641 HydrophobicContact CB-CD2 4.14Å; S637-L641 PolarHBondContact O-N 2.71Å; T638-L641 WeakPolarHBondContact O-CB 3.43Å; T638-L641 PolarHBondContact O-N 2.96Å; L641-Q643 PolarHBondContact O-N 3.39Å; L641-I649 HydrophobicContact CD1-CD1 4.03Å; L641-I649 HydrophobicContact CD1-CG1 4.2Å; L641-I649 HydrophobicContact CD1-CG2 3.99Å; L641-Y653 HydrophobicContact CB-CE2 4.12Å; L641-Y653 HydrophobicContact CD1-CD2 4.42Å; L641-Y653 HydrophobicContact CD1-CE2 4.19Å; L641-Y653 HydrophobicContact CD2-CD2 4.43Å; L641-Y653 HydrophobicContact CD2-CE1 4.1Å; L641-Y653 HydrophobicContact CD2-CE2 3.89Å; L641-Y653 HydrophobicContact CG-CE2 4.3Å; L641-R678 VanDerWaalsContact O-CG 3.31Å; L641-R678 WeakPolarHBondContact O-CG 3.47Å |
| 642 | R | 84.2 | Confident | 81.8 | Confident | 80 Ų | 80 | 70 Ų | 70 | 30% | 0.302 | 34% | 0.338 | S | S | . | . | trans | -64.9 | 126.9 | 172.5 | -75.5 | -171.5 | 173.7 | -177.6 | -2.7 | 109.6 | K644 Y645 Y653 C677 | R642-K644 PolarHBondContact O-N 3.41Å; R642-K644 VanDerWaalsContact O-N 3.13Å; R642-Y645 HydrophobicContact CB-CD2 3.69Å; R642-Y645 HydrophobicContact CB-CE2 4.03Å; R642-Y645 HydrophobicContact CB-CG 4.11Å; R642-Y645 VanDerWaalsContact CD-CE2 3.45Å; R642-Y645 HydrophobicContact CG-CD2 4.29Å; R642-Y645 HydrophobicContact CG-CE2 4.21Å; R642-Y645 PolarHBondContact NH1-OH 3.21Å; R642-Y645 VanDerWaalsContact NH1-OH 3.15Å; R642-Y645 PolarHBondContact O-N 2.93Å; R642-Y653 PolarHBondContact N-OH 3.04Å; R642-C677 WeakPolarHBondContact CG-O 3.27Å | ||
| 643 | Q | 81 | Confident | 82.5 | Confident | 130 Ų | 130 | 69.9 Ų | 69.9 | 61% | 0.607 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -49.8 | -42.6 | -179.7 | -158.8 | 76.2 | 22.6 | 0 | 0 | 112.2 | L641 Y645 M646 | L641-Q643 PolarHBondContact O-N 3.39Å; Q643-Y645 PolarHBondContact O-N 2.79Å; Q643-Y645 VanDerWaalsContact O-N 3.13Å; Q643-M646 WeakPolarHBondContact O-CG 3.29Å; Q643-M646 PolarHBondContact O-N 3.18Å |
| 644 | K | 78.9 | Confident | 82.8 | Confident | 182 Ų | 182 | 74.3 Ų | 74.3 | 79% | 0.791 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -61 | -20.2 | 178.8 | -172.1 | 172.9 | -179.9 | 176.7 | 0 | 114.5 | R642 | R642-K644 PolarHBondContact O-N 3.41Å; R642-K644 VanDerWaalsContact O-N 3.13Å |
| 645 | Y | 81.7 | Confident | 82.7 | Confident | 47 Ų | 47 | 80.6 Ų | 80.6 | 18% | 0.184 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -104 | -0.1 | -176.1 | -56.4 | -21 | 0 | 0 | 0 | 113 | R642 Q643 D647 N648 I649 H652 Y653 | R642-Y645 HydrophobicContact CB-CD2 3.69Å; R642-Y645 HydrophobicContact CB-CE2 4.03Å; R642-Y645 HydrophobicContact CB-CG 4.11Å; R642-Y645 VanDerWaalsContact CD-CE2 3.45Å; R642-Y645 HydrophobicContact CG-CD2 4.29Å; R642-Y645 HydrophobicContact CG-CE2 4.21Å; R642-Y645 PolarHBondContact NH1-OH 3.21Å; R642-Y645 VanDerWaalsContact NH1-OH 3.15Å; R642-Y645 PolarHBondContact O-N 2.93Å; Q643-Y645 PolarHBondContact O-N 2.79Å; Q643-Y645 VanDerWaalsContact O-N 3.13Å; Y645-D647 PolarHBondContact O-N 3.3Å; Y645-N648 CarbonylContact O-C 3.54Å; Y645-N648 PolarHBondContact O-N 2.78Å; Y645-I649 PolarHBondContact O-N 3.42Å; Y645-H652 HydrophobicContact CD1-CB 4.12Å; Y645-H652 AromaticContact CD1-CD2 3.66Å; Y645-H652 AromaticContact CD1-CE1 3.82Å; Y645-H652 AromaticContact CD1-CG 3.54Å; Y645-H652 AromaticContact CD1-ND1 3.65Å; Y645-H652 AromaticContact CD1-NE2 3.84Å; Y645-H652 HydrophobicContact CD2-CB 3.95Å; Y645-H652 AromaticContact CE1-ND1 3.85Å; Y645-H652 HydrophobicContact CG-CB 3.7Å; Y645-H652 AromaticContact CG-CD2 3.9Å; Y645-H652 AromaticContact CG-CG 3.64Å; Y645-Y653 AromaticContact CD2-CE2 3.73Å; Y645-Y653 HydrophobicContact CD2-CE2 3.73Å; Y645-Y653 AromaticContact CD2-CZ 3.9Å; Y645-Y653 HydrophobicContact CG-CE2 4.29Å |
| 646 | M | 74 | Confident | 82.5 | Confident | 54 Ų | 54 | 81.4 Ų | 81.4 | 27% | 0.266 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -68.9 | -31.2 | -172.6 | -67.3 | -166.4 | 73.3 | 0 | 0 | 113.6 | T638 Q643 N648 I649 | T638-M646 HydrophobicContact CG2-CE 3.57Å; T638-M646 WeakPolarHBondContact O-CE 3.12Å; Q643-M646 WeakPolarHBondContact O-CG 3.29Å; Q643-M646 PolarHBondContact O-N 3.18Å; M646-N648 PolarHBondContact O-N 3.16Å; M646-I649 WeakPolarHBondContact O-CG1 3.3Å |
| 647 | D | 77.3 | Confident | 82.6 | Confident | 155 Ų | 155 | 82.9 Ų | 82.9 | 83% | 0.829 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -71 | -22.7 | -179.8 | -57.8 | -33.7 | 0 | 0 | 0 | 112.6 | Y645 | Y645-D647 PolarHBondContact O-N 3.3Š|
| 648 | N | 81.4 | Confident | 82.8 | Confident | 96 Ų | 96 | 87.2 Ų | 87.2 | 51% | 0.513 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -145.6 | 57.9 | -174.8 | -117.2 | -30.8 | 0 | 0 | 0 | 111.4 | Y645 M646 A650 K651 H652 | Y645-N648 CarbonylContact O-C 3.54Å; Y645-N648 PolarHBondContact O-N 2.78Å; M646-N648 PolarHBondContact O-N 3.16Å; N648-A650 VanDerWaalsContact C-N 3.3Å; N648-A650 PolarHBondContact O-N 2.9Å; N648-K651 HydrophobicContact CB-CB 4.12Å; N648-K651 WeakPolarHBondContact O-CB 3.5Å; N648-K651 PolarHBondContact O-N 2.83Å; N648-H652 PolarHBondContact O-CD2 2.79Å; N648-H652 PolarHBondContact O-N 3Å |
| 649 | I | 80.9 | Confident | 83.3 | Confident | 21 Ų | 21 | 87.5 Ų | 87.5 | 11% | 0.108 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -53.4 | -47.1 | -176.2 | -59.3 | 171.9 | 0 | 0 | 0 | 110.8 | V624 T638 L641 Y645 M646 K651 H652 Y653 | V624-I649 HydrophobicContact CG2-CG2 3.86Å; T638-I649 HydrophobicContact CG2-CD1 3.61Å; L641-I649 HydrophobicContact CD1-CD1 4.03Å; L641-I649 HydrophobicContact CD1-CG1 4.2Å; L641-I649 HydrophobicContact CD1-CG2 3.99Å; Y645-I649 PolarHBondContact O-N 3.42Å; M646-I649 WeakPolarHBondContact O-CG1 3.3Å; I649-K651 PolarHBondContact O-N 3.2Å; I649-H652 PolarHBondContact O-N 3.37Å; I649-Y653 HydrophobicContact CG2-CD2 4.01Å; I649-Y653 WeakPolarHBondContact O-CA 3.27Å; I649-Y653 WeakPolarHBondContact O-CB 3.47Å; I649-Y653 PolarHBondContact O-N 2.98Å |
| 650 | A | 76.4 | Confident | 83.8 | Confident | 72 Ų | 72 | 84.1 Ų | 84.1 | 60% | 0.595 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60.8 | -29.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N648 K654 | N648-A650 VanDerWaalsContact C-N 3.3Å; N648-A650 PolarHBondContact O-N 2.9Å; A650-K654 WeakPolarHBondContact O-CG 3.26Å |
| 651 | K | 80.5 | Confident | 84 | Confident | 132 Ų | 132 | 78.7 Ų | 78.7 | 57% | 0.574 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -76.1 | -38.2 | 177.9 | -174.4 | 179.9 | 178.4 | 177.7 | 0 | 112.4 | N648 I649 K654 | N648-K651 HydrophobicContact CB-CB 4.12Å; N648-K651 WeakPolarHBondContact O-CB 3.5Å; N648-K651 PolarHBondContact O-N 2.83Å; I649-K651 PolarHBondContact O-N 3.2Å; K651-K654 WeakPolarHBondContact O-CE 3.46Å; K651-K654 WeakPolarHBondContact O-CG 3.46Å |
| 652 | H | 83.3 | Confident | 84 | Confident | 75 Ų | 75 | 79.3 Ų | 79.3 | 35% | 0.347 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -92.9 | -34.5 | -175.8 | -70.2 | -68.2 | 0 | 0 | 0 | 113.4 | Y645 N648 I649 H659 | Y645-H652 HydrophobicContact CD1-CB 4.12Å; Y645-H652 AromaticContact CD1-CD2 3.66Å; Y645-H652 AromaticContact CD1-CE1 3.82Å; Y645-H652 AromaticContact CD1-CG 3.54Å; Y645-H652 AromaticContact CD1-ND1 3.65Å; Y645-H652 AromaticContact CD1-NE2 3.84Å; Y645-H652 HydrophobicContact CD2-CB 3.95Å; Y645-H652 AromaticContact CE1-ND1 3.85Å; Y645-H652 HydrophobicContact CG-CB 3.7Å; Y645-H652 AromaticContact CG-CD2 3.9Å; Y645-H652 AromaticContact CG-CG 3.64Å; N648-H652 PolarHBondContact O-CD2 2.79Å; N648-H652 PolarHBondContact O-N 3Å; I649-H652 PolarHBondContact O-N 3.37Å; H652-H659 PolarHBondContact O-CE1 3.28Å; H652-H659 PolarHBondContact O-NE2 3.27Å |
| 653 | Y | 89.2 | Confident | 84.1 | Confident | 1 Ų | 1 | 75.6 Ų | 75.6 | 0% | 0.004 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -108.4 | 58.8 | 175.4 | -62.6 | -83.3 | 0 | 0 | 0 | 109.6 | V616 S619 V624 F626 L641 R642 Y645 I649 H659 C677 | V616-Y653 HydrophobicContact CG2-CD1 4.32Å; S619-Y653 WeakPolarHBondContact CB-O 3.25Å; S619-Y653 PolarHBondContact OG-O 3.42Å; S619-Y653 VanDerWaalsContact OG-O 3.13Å; V624-Y653 HydrophobicContact CG1-CD1 4.3Å; V624-Y653 HydrophobicContact CG1-CG 4.49Å; V624-Y653 HydrophobicContact CG2-CD1 4.32Å; V624-Y653 HydrophobicContact CG2-CD2 4.31Å; V624-Y653 HydrophobicContact CG2-CG 3.92Å; F626-Y653 HydrophobicContact CE1-CD1 4.27Å; F626-Y653 HydrophobicContact CZ-CD1 4.02Å; F626-Y653 HydrophobicContact CZ-CE1 4.05Å; L641-Y653 HydrophobicContact CB-CE2 4.12Å; L641-Y653 HydrophobicContact CD1-CD2 4.42Å; L641-Y653 HydrophobicContact CD1-CE2 4.19Å; L641-Y653 HydrophobicContact CD2-CD2 4.43Å; L641-Y653 HydrophobicContact CD2-CE1 4.1Å; L641-Y653 HydrophobicContact CD2-CE2 3.89Å; L641-Y653 HydrophobicContact CG-CE2 4.3Å; R642-Y653 PolarHBondContact N-OH 3.04Å; Y645-Y653 AromaticContact CD2-CE2 3.73Å; Y645-Y653 HydrophobicContact CD2-CE2 3.73Å; Y645-Y653 AromaticContact CD2-CZ 3.9Å; Y645-Y653 HydrophobicContact CG-CE2 4.29Å; I649-Y653 HydrophobicContact CG2-CD2 4.01Å; I649-Y653 WeakPolarHBondContact O-CA 3.27Å; I649-Y653 WeakPolarHBondContact O-CB 3.47Å; I649-Y653 PolarHBondContact O-N 2.98Å; Y653-H659 AromaticContact CD1-CD2 3.74Å; Y653-H659 AromaticContact CD1-CE1 3.62Å; Y653-H659 AromaticContact CD1-CG 3.82Å; Y653-H659 AromaticContact CD1-ND1 3.77Å; Y653-H659 AromaticContact CD1-NE2 3.61Å; Y653-H659 HydrophobicContact CE1-CB 4.31Å; Y653-H659 AromaticContact CE1-CE1 3.76Å; Y653-H659 AromaticContact CE1-CG 3.72Å; Y653-H659 AromaticContact CE1-ND1 3.48Å; Y653-H659 WeakPolarHBondContact CE1-ND1 3.27Å; Y653-C677 WeakPolarHBondContact OH-CB 3.31Å |
| 654 | K | 84.6 | Confident | 84.1 | Confident | 129 Ų | 129 | 71.5 Ų | 71.5 | 56% | 0.561 | 36% | 0.361 | S | S | * | . | trans | -64.4 | 142.9 | 174.3 | -65.9 | 179.7 | -178.2 | -172.1 | 0 | 109.9 | V616 A650 K651 G656 S657 | V616-K654 WeakPolarHBondContact CB-O 3.41Å; A650-K654 WeakPolarHBondContact O-CG 3.26Å; K651-K654 WeakPolarHBondContact O-CE 3.46Å; K651-K654 WeakPolarHBondContact O-CG 3.46Å; K654-G656 PolarHBondContact O-N 3.41Å; K654-S657 PolarHBondContact N-OG 3.31Å; K654-S657 VanDerWaalsContact O-CB 3.3Å; K654-S657 WeakPolarHBondContact O-CB 2.98Å; K654-S657 PolarHBondContact O-N 3.14Å; K654-S657 PolarHBondContact O-OG 3.12Å | ||
| 655 | I | 83.4 | Confident | 83.9 | Confident | 131 Ų | 131 | 63.7 Ų | 63.7 | 67% | 0.672 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 128.7 | 172.2 | -58.9 | 170.3 | 0 | 0 | 0 | 108.5 | ||
| 656 | G | 82.8 | Confident | 83.7 | Confident | 48 Ų | 48 | 63.8 Ų | 63.8 | 50% | 0.495 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | -19 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | V616 K654 | V616-G656 PolarHBondContact O-N 3.04Å; K654-G656 PolarHBondContact O-N 3.41Å |
| 657 | S | 89.9 | Confident | 83.8 | Confident | 33 Ų | 33 | 61.2 Ų | 61.2 | 23% | 0.231 | 32% | 0.323 | C | S | . | . | trans | -70.5 | 143.3 | -178.5 | 64.4 | 0 | 0 | 0 | 0 | 112.9 | K615 V616 K654 H659 | K615-S657 CarbonylContact C-O 3.59Å; K615-S657 WeakPolarHBondContact CA-O 3.39Å; V616-S657 WeakPolarHBondContact CG2-O 3.03Å; V616-S657 PolarHBondContact N-O 3.25Å; K654-S657 PolarHBondContact N-OG 3.31Å; K654-S657 VanDerWaalsContact O-CB 3.3Å; K654-S657 WeakPolarHBondContact O-CB 2.98Å; K654-S657 PolarHBondContact O-N 3.14Å; K654-S657 PolarHBondContact O-OG 3.12Å; S657-H659 PolarHBondContact OG-CD2 3.38Å; S657-H659 PolarHBondContact OG-NE2 3.42Å | ||
| 658 | R | 91.3 | Very high | 83.7 | Confident | 144 Ų | 144 | 54 Ų | 54 | 54% | 0.543 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 129.2 | -177.1 | -162.3 | 179.6 | -177.6 | -157.8 | 6.1 | 111 | G614 K615 E629 | G614-R658 WeakPolarHBondContact O-CA 3.49Å; K615-R658 HydrophobicContact CG-CB 4.34Å; K615-R658 HydrophobicContact CG-CG 4.31Å; E629-R658 IonicContact OE1-CZ 3.98Å; E629-R658 IonicContact OE1-NH2 3.36Å; E629-R658 PolarHBondContact OE1-NH2 2.84Å |
| 659 | H | 92 | Very high | 83.6 | Confident | 33 Ų | 33 | 49.5 Ų | 49.5 | 15% | 0.153 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 146.3 | -174.7 | -68.3 | -94.6 | 0 | 0 | 0 | 113.2 | Y613 G614 F626 H652 Y653 S657 M661 | Y613-H659 WeakPolarHBondContact CA-O 3.08Å; G614-H659 PolarHBondContact N-O 3.26Å; G614-H659 PolarHBondContact O-N 3.23Å; F626-H659 HydrophobicContact CE1-CB 3.76Å; F626-H659 AromaticContact CE1-CD2 4Å; F626-H659 HydrophobicContact CZ-CB 4.29Å; H652-H659 PolarHBondContact O-CE1 3.28Å; H652-H659 PolarHBondContact O-NE2 3.27Å; Y653-H659 AromaticContact CD1-CD2 3.74Å; Y653-H659 AromaticContact CD1-CE1 3.62Å; Y653-H659 AromaticContact CD1-CG 3.82Å; Y653-H659 AromaticContact CD1-ND1 3.77Å; Y653-H659 AromaticContact CD1-NE2 3.61Å; Y653-H659 HydrophobicContact CE1-CB 4.31Å; Y653-H659 AromaticContact CE1-CE1 3.76Å; Y653-H659 AromaticContact CE1-CG 3.72Å; Y653-H659 AromaticContact CE1-ND1 3.48Å; Y653-H659 WeakPolarHBondContact CE1-ND1 3.27Å; S657-H659 PolarHBondContact OG-CD2 3.38Å; S657-H659 PolarHBondContact OG-NE2 3.42Å; H659-M661 VanDerWaalsContact O-CE 3.31Å; H659-M661 WeakPolarHBondContact O-CE 3.15Å |
| 660 | K | 91.1 | Very high | 83.4 | Confident | 90 Ų | 90 | 49.1 Ų | 49.1 | 39% | 0.391 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 132.8 | 173.7 | -165.8 | 176.6 | -173.2 | 160.4 | 0 | 110.3 | I611 Y613 L682 | I611-K660 HydrophobicContact CG2-CD 4.17Å; I611-K660 HydrophobicContact CG2-CG 3.85Å; Y613-K660 HydrophobicContact CD1-CB 4.04Å; Y613-K660 HydrophobicContact CE1-CB 3.6Å; Y613-K660 HydrophobicContact CE1-CD 4.37Å; Y613-K660 HydrophobicContact CE1-CG 4Å; Y613-K660 HydrophobicContact CE2-CD 4.43Å; Y613-K660 HydrophobicContact CE2-CG 4.15Å; Y613-K660 WeakPolarHBondContact OH-CD 3.34Å; K660-L682 HydrophobicContact CG-CD2 4.15Å |
| 661 | M | 90.7 | Very high | 83.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 160 | 179.9 | 71.9 | -163.3 | 83 | 0 | 0 | 111.4 | I611 C612 F626 V634 H659 A675 S676 | I611-M661 WeakPolarHBondContact CA-O 3.05Å; C612-M661 PolarHBondContact N-O 3.12Å; C612-M661 PolarHBondContact O-N 3.17Å; F626-M661 HydrophobicContact CB-CE 3.89Å; F626-M661 HydrophobicContact CB-SD 4.37Å; F626-M661 HydrophobicContact CD1-CE 3.6Å; F626-M661 HydrophobicContact CD2-CE 3.69Å; F626-M661 HydrophobicContact CD2-SD 3.73Å; F626-M661 HydrophobicContact CE1-CE 4Å; F626-M661 HydrophobicContact CE2-CE 4.08Å; F626-M661 HydrophobicContact CE2-SD 4.17Å; F626-M661 HydrophobicContact CG-CE 3.44Å; F626-M661 VanDerWaalsContact CG-CE 3.44Å; F626-M661 HydrophobicContact CG-SD 4.03Å; F626-M661 HydrophobicContact CZ-CE 4.23Å; V634-M661 HydrophobicContact CB-SD 4.15Å; V634-M661 HydrophobicContact CG1-SD 3.73Å; H659-M661 VanDerWaalsContact O-CE 3.31Å; H659-M661 WeakPolarHBondContact O-CE 3.15Å; M661-A675 HydrophobicContact CB-CB 3.97Å; M661-A675 HydrophobicContact CG-CB 3.81Å; M661-A675 HydrophobicContact SD-CB 3.79Å; M661-S676 WeakPolarHBondContact CA-O 3.45Å |
| 662 | R | 88.6 | Confident | 83 | Confident | 13 Ų | 13 | 40 Ų | 40 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 129 | 170.5 | -174.6 | 172.4 | -66.4 | -168.1 | 13.4 | 109.7 | G609 Q610 I611 V664 A675 S676 A681 L682 Q684 | G609-R662 WeakPolarHBondContact O-CD 3.42Å; G609-R662 VanDerWaalsContact O-CG 3.31Å; G609-R662 WeakPolarHBondContact O-CG 3.44Å; Q610-R662 WeakPolarHBondContact O-CA 3.43Å; I611-R662 HydrophobicContact CG1-CB 4.41Å; I611-R662 HydrophobicContact CG1-CG 4.33Å; R662-V664 PolarHBondContact O-N 3.39Å; R662-A675 CarbonylContact O-C 3.48Å; R662-A675 WeakPolarHBondContact O-CA 3.35Å; R662-A675 WeakPolarHBondContact O-CB 3.44Å; R662-S676 PolarHBondContact N-O 3.37Å; R662-S676 PolarHBondContact O-N 3.2Å; R662-A681 VanDerWaalsContact CD-O 3.29Å; R662-A681 WeakPolarHBondContact CD-O 3.45Å; R662-A681 PolarHBondContact NE-O 2.7Å; R662-A681 PolarHBondContact NH1-O 3.4Å; R662-A681 PolarHBondContact NH2-O 3.22Å; R662-L682 HydrophobicContact CB-CD2 4.18Å; R662-L682 PolarHBondContact NH2-O 3.15Å; R662-Q684 PolarHBondContact NH1-O 3.03Å; R662-Q684 PolarHBondContact NH2-O 2.97Å |
| 663 | I | 86.3 | Confident | 82.9 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 124.7 | 173.7 | -55.7 | -50.9 | 0 | 0 | 0 | 108.5 | L606 C607 G609 Q610 C612 V634 Y673 A675 | L606-I663 HydrophobicContact CB-CG1 4.4Å; C607-I663 WeakPolarHBondContact O-CB 3.46Å; G609-I663 WeakPolarHBondContact CA-O 3.23Å; G609-I663 PolarHBondContact N-O 3.24Å; Q610-I663 PolarHBondContact O-N 2.85Å; C612-I663 VanDerWaalsContact SG-CD1 3.58Å; V634-I663 HydrophobicContact CG1-CD1 4.04Å; V634-I663 HydrophobicContact CG2-CD1 4.29Å; I663-Y673 HydrophobicContact CG2-CD1 4.05Å; I663-A675 HydrophobicContact CD1-CB 4.3Å |
| 664 | V | 81 | Confident | 82.7 | Confident | 44 Ų | 44 | 38.9 Ų | 38.9 | 27% | 0.267 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -27.6 | -179.1 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | K608 R662 F674 | K608-V664 WeakPolarHBondContact CE-O 3.32Å; K608-V664 WeakPolarHBondContact CG-O 3.32Å; R662-V664 PolarHBondContact O-N 3.39Å; V664-F674 PolarHBondContact N-O 3.37Å |
| 665 | G | 76.3 | Confident | 82.8 | Confident | 18 Ų | 18 | 32.8 Ų | 32.8 | 19% | 0.186 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.8 | -175 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y673 F674 | G665-Y673 CarbonylContact O-C 3.6Å; G665-Y673 WeakPolarHBondContact O-CA 3.28Å; G665-F674 PolarHBondContact N-O 3.33Å; G665-F674 PolarHBondContact O-N 3.1Å |
| 666 | L | 76.7 | Confident | 83.1 | Confident | 49 Ų | 49 | 26.6 Ų | 26.6 | 26% | 0.257 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 137.7 | 179.1 | 177 | 67.6 | 0 | 0 | 0 | 109.5 | Y603 G668 Y673 | Y603-L666 HydrophobicContact CD1-CD1 4.07Å; Y603-L666 HydrophobicContact CE1-CD1 3.92Å; L666-G668 PolarHBondContact O-N 3.11Å; L666-Y673 HydrophobicContact CB-CD1 4.2Å; L666-Y673 HydrophobicContact CB-CE1 4.41Å; L666-Y673 HydrophobicContact CD1-CD1 3.7Å; L666-Y673 HydrophobicContact CD1-CE1 3.76Å; L666-Y673 HydrophobicContact CD1-CG 4.13Å |
| 667 | S | 76.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 99.9 | 165 | -160.9 | 0 | 0 | 0 | 0 | 108.1 | Q346 L669 Y670 L671 S672 | Q346-S667 VanDerWaalsContact CD-OG 3.28Å; Q346-S667 PolarHBondContact NE2-OG 2.65Å; Q346-S667 PolarHBondContact OE1-OG 3.23Å; S667-L669 PolarHBondContact O-N 3.06Å; S667-Y670 PolarHBondContact O-N 3.32Å; S667-L671 WeakPolarHBondContact O-CA 3.37Å; S667-L671 PolarHBondContact O-N 3.13Å; S667-S672 VanDerWaalsContact CB-O 3.29Å; S667-S672 WeakPolarHBondContact CB-O 3.27Å; S667-S672 PolarHBondContact N-O 2.71Å; S667-S672 PolarHBondContact O-N 3.31Å |
| 668 | G | 74 | Confident | 83.1 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -43.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S389 R596 L666 Y670 L671 | S389-G668 WeakPolarHBondContact OG-CA 3.28Å; R596-G668 PolarHBondContact NH2-O 3.42Å; L666-G668 PolarHBondContact O-N 3.11Å; G668-Y670 PolarHBondContact O-N 2.92Å; G668-L671 PolarHBondContact O-N 2.82Å |
| 669 | L | 79.5 | Confident | 82.6 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -45.3 | -176 | -175.5 | 63.5 | 0 | 0 | 0 | 113.7 | I332 S334 P348 L391 L593 R596 S667 | I332-L669 HydrophobicContact CG2-CD1 4.13Å; S334-L669 VanDerWaalsContact CB-N 3.32Å; S334-L669 PolarHBondContact OG-N 2.85Å; P348-L669 HydrophobicContact CG-CD2 4.17Å; L391-L669 HydrophobicContact CD2-CD1 3.67Å; L593-L669 HydrophobicContact CD2-CD1 4.17Å; L593-L669 WeakPolarHBondContact CD2-O 3.41Å; R596-L669 PolarHBondContact NH1-O 3.44Å; S667-L669 PolarHBondContact O-N 3.06Å |
| 670 | Y | 76.9 | Confident | 81.9 | Confident | 13 Ų | 13 | 27.7 Ų | 27.7 | 5% | 0.051 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 2.9 | -175.1 | -60.6 | -64 | 0 | 0 | 0 | 114.4 | P348 H554 R590 T592 L593 S667 G668 S672 | P348-Y670 WeakPolarHBondContact CA-OH 3.25Å; H554-Y670 AromaticContact CE1-CE1 3.84Å; H554-Y670 AromaticContact CE1-CZ 3.79Å; H554-Y670 PolarHBondContact CE1-OH 2.74Å; R590-Y670 VanDerWaalsContact NH1-CB 3.33Å; T592-Y670 VanDerWaalsContact CB-O 3.25Å; T592-Y670 WeakPolarHBondContact CB-O 3.41Å; T592-Y670 VanDerWaalsContact CG2-O 3.29Å; T592-Y670 WeakPolarHBondContact CG2-O 3.32Å; T592-Y670 PolarHBondContact OG1-O 3.23Å; L593-Y670 HydrophobicContact CD1-CD1 4.42Å; L593-Y670 HydrophobicContact CD1-CE1 4.15Å; S667-Y670 PolarHBondContact O-N 3.32Å; G668-Y670 PolarHBondContact O-N 2.92Å; Y670-S672 VanDerWaalsContact C-N 3.34Å; Y670-S672 PolarHBondContact O-N 2.78Å |
| 671 | L | 74 | Confident | 81.2 | Confident | 8 Ų | 8 | 24.1 Ų | 24.1 | 4% | 0.042 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 52.8 | -173.9 | -59 | 174.8 | 0 | 0 | 0 | 112.2 | T592 R596 L599 Y603 S667 G668 | T592-L671 HydrophobicContact CG2-CB 4.23Å; R596-L671 HydrophobicContact CG-CD1 4.13Å; L599-L671 HydrophobicContact CB-CD1 4.25Å; Y603-L671 PolarHBondContact OH-O 3.3Å; Y603-L671 VanDerWaalsContact OH-O 3.06Å; S667-L671 WeakPolarHBondContact O-CA 3.37Å; S667-L671 PolarHBondContact O-N 3.13Å; G668-L671 PolarHBondContact O-N 2.82Å |
| 672 | S | 74.8 | Confident | 80.7 | Confident | 5 Ų | 5 | 25.2 Ų | 25.2 | 4% | 0.035 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 135.2 | 178.1 | 63.2 | 0 | 0 | 0 | 0 | 111.8 | S667 Y670 | S667-S672 VanDerWaalsContact CB-O 3.29Å; S667-S672 WeakPolarHBondContact CB-O 3.27Å; S667-S672 PolarHBondContact N-O 2.71Å; S667-S672 PolarHBondContact O-N 3.31Å; Y670-S672 VanDerWaalsContact C-N 3.34Å; Y670-S672 PolarHBondContact O-N 2.78Å |
| 673 | Y | 81.6 | Confident | 80.1 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 150.7 | -178.8 | -62.4 | -79.4 | 0 | 0 | 0 | 111.6 | Y603 P604 S605 L606 Y633 V634 Q635 I663 G665 L666 | Y603-Y673 HydrophobicContact CD1-CE1 4.44Å; Y603-Y673 AromaticContact CD1-CE2 3.78Å; Y603-Y673 HydrophobicContact CD1-CE2 3.78Å; Y603-Y673 AromaticContact CD1-CZ 3.58Å; Y603-Y673 VanDerWaalsContact CD1-OH 3.27Å; Y603-Y673 WeakPolarHBondContact CD1-OH 3.31Å; Y603-Y673 AromaticContact CE1-CD2 3.75Å; Y603-Y673 HydrophobicContact CE1-CD2 3.75Å; Y603-Y673 HydrophobicContact CE1-CE1 4.28Å; Y603-Y673 AromaticContact CE1-CE2 3.06Å; Y603-Y673 HydrophobicContact CE1-CE2 3.06Å; Y603-Y673 AromaticContact CE1-CZ 3.37Å; Y603-Y673 AromaticContact CZ-CE2 3.73Å; P604-Y673 VanDerWaalsContact CA-OH 3.25Å; P604-Y673 WeakPolarHBondContact CA-OH 3.36Å; P604-Y673 WeakPolarHBondContact CB-OH 3.42Å; S605-Y673 PolarHBondContact N-OH 3.14Å; L606-Y673 HydrophobicContact CB-CD1 4.33Å; L606-Y673 HydrophobicContact CB-CD2 4.46Å; L606-Y673 HydrophobicContact CB-CE1 3.84Å; L606-Y673 HydrophobicContact CB-CE2 3.96Å; L606-Y673 HydrophobicContact CD1-CD2 3.85Å; L606-Y673 HydrophobicContact CD1-CE2 3.72Å; L606-Y673 HydrophobicContact CG-CE2 4.25Å; L606-Y673 PolarHBondContact N-OH 3.36Å; L606-Y673 VanDerWaalsContact O-CE1 3.3Å; L606-Y673 WeakPolarHBondContact O-CE1 3.43Å; Y633-Y673 PolarHBondContact O-N 3.26Å; V634-Y673 CarbonylContact C-O 3.57Å; V634-Y673 WeakPolarHBondContact CA-O 3.45Å; V634-Y673 HydrophobicContact CG2-CD2 4.33Å; Q635-Y673 PolarHBondContact N-O 3.38Å; I663-Y673 HydrophobicContact CG2-CD1 4.05Å; G665-Y673 CarbonylContact O-C 3.6Å; G665-Y673 WeakPolarHBondContact O-CA 3.28Å; L666-Y673 HydrophobicContact CB-CD1 4.2Å; L666-Y673 HydrophobicContact CB-CE1 4.41Å; L666-Y673 HydrophobicContact CD1-CD1 3.7Å; L666-Y673 HydrophobicContact CD1-CE1 3.76Å; L666-Y673 HydrophobicContact CD1-CG 4.13Å |
| 674 | F | 84 | Confident | 79.4 | Confident | 49 Ų | 49 | 33 Ų | 33 | 22% | 0.215 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 136.1 | 168.1 | -58.8 | -64.2 | 0 | 0 | 0 | 109.5 | Q635 V664 G665 | Q635-F674 HydrophobicContact CB-CD1 4.48Å; Q635-F674 WeakPolarHBondContact O-CA 3.44Å; V664-F674 PolarHBondContact N-O 3.37Å; G665-F674 PolarHBondContact N-O 3.33Å; G665-F674 PolarHBondContact O-N 3.1Å |
| 675 | A | 87.3 | Confident | 78.9 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 167.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | V634 Q635 C636 M661 R662 I663 | V634-A675 HydrophobicContact CG1-CB 3.35Å; Q635-A675 PolarHBondContact O-N 3.21Å; C636-A675 PolarHBondContact SG-O 3.32Å; M661-A675 HydrophobicContact CB-CB 3.97Å; M661-A675 HydrophobicContact CG-CB 3.81Å; M661-A675 HydrophobicContact SD-CB 3.79Å; R662-A675 CarbonylContact O-C 3.48Å; R662-A675 WeakPolarHBondContact O-CA 3.35Å; R662-A675 WeakPolarHBondContact O-CB 3.44Å; I663-A675 HydrophobicContact CD1-CB 4.3Å |
| 676 | S | 88.7 | Confident | 78.7 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 135 | 164.9 | -170.7 | 0 | 0 | 0 | 0 | 110.5 | R640 M661 R662 R678 | R640-S676 PolarHBondContact O-OG 2.96Å; M661-S676 WeakPolarHBondContact CA-O 3.45Å; R662-S676 PolarHBondContact N-O 3.37Å; R662-S676 PolarHBondContact O-N 3.2Å; S676-R678 WeakPolarHBondContact OG-CB 3.38Å; S676-R678 PolarHBondContact OG-N 3.4Å |
| 677 | C | 89.7 | Confident | 78.2 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | trans | -98 | 2.6 | 170.9 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | R640 R642 Y653 | R640-C677 PolarHBondContact O-N 2.85Å; R642-C677 WeakPolarHBondContact CG-O 3.27Å; Y653-C677 WeakPolarHBondContact OH-CB 3.31Å | ||
| 678 | R | 84.6 | Confident | 77.8 | Confident | 94 Ų | 94 | 34.2 Ų | 34.2 | 36% | 0.355 | 17% | 0.17 | S | C | . | . | trans | -59 | 140.4 | 179.4 | -80.2 | -169.1 | -179.5 | -168.8 | -3.3 | 110.9 | K639 R640 L641 S676 E680 A681 L682 | K639-R678 PolarHBondContact O-NE 2.54Å; K639-R678 PolarHBondContact O-NH2 3.43Å; R640-R678 PolarHBondContact O-N 2.94Å; L641-R678 VanDerWaalsContact O-CG 3.31Å; L641-R678 WeakPolarHBondContact O-CG 3.47Å; S676-R678 WeakPolarHBondContact OG-CB 3.38Å; S676-R678 PolarHBondContact OG-N 3.4Å; R678-E680 VanDerWaalsContact C-N 3.27Å; R678-E680 PolarHBondContact O-N 2.9Å; R678-A681 HydrophobicContact CB-CB 4.13Å; R678-A681 PolarHBondContact O-N 2.84Å; R678-L682 WeakPolarHBondContact O-CG 3.27Å; R678-L682 PolarHBondContact O-N 3.05Å; R678-L682 VanDerWaalsContact O-N 3.09Å | ||
| 679 | L | 80.4 | Confident | 77.7 | Confident | 78 Ų | 78 | 35 Ų | 35 | 41% | 0.408 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -65.9 | -34.5 | -177.9 | -163.9 | 73.2 | 0 | 0 | 0 | 111.1 | L682 K683 | L679-L682 PolarHBondContact O-N 3.47Å; L679-K683 HydrophobicContact CG-CD 4.3Å; L679-K683 WeakPolarHBondContact O-CB 3.37Å; L679-K683 WeakPolarHBondContact O-CG 3.33Å; L679-K683 PolarHBondContact O-N 2.83Å |
| 680 | E | 77 | Confident | 77.2 | Confident | 109 Ų | 109 | 42.2 Ų | 42.2 | 51% | 0.509 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.9 | -47.4 | 176.4 | -54.8 | 85 | 179.6 | 0 | 0 | 111.3 | R678 L682 K683 Q684 | R678-E680 VanDerWaalsContact C-N 3.27Å; R678-E680 PolarHBondContact O-N 2.9Å; E680-L682 PolarHBondContact O-N 2.72Å; E680-K683 PolarHBondContact O-N 3Å; E680-K683 VanDerWaalsContact O-N 3.11Å; E680-Q684 PolarHBondContact O-N 3.19Å; E680-Q684 VanDerWaalsContact O-N 3.1Å |
| 681 | A | 76.1 | Confident | 76.9 | Confident | 15 Ų | 15 | 45 Ų | 45 | 12% | 0.124 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.4 | -29 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R662 R678 Q684 | R662-A681 VanDerWaalsContact CD-O 3.29Å; R662-A681 WeakPolarHBondContact CD-O 3.45Å; R662-A681 PolarHBondContact NE-O 2.7Å; R662-A681 PolarHBondContact NH1-O 3.4Å; R662-A681 PolarHBondContact NH2-O 3.22Å; R678-A681 HydrophobicContact CB-CB 4.13Å; R678-A681 PolarHBondContact O-N 2.84Å; A681-Q684 WeakPolarHBondContact O-CG 3.11Å; A681-Q684 PolarHBondContact O-NE2 3.33Å |
| 682 | L | 80.5 | Confident | 77.1 | Confident | 22 Ų | 22 | 45 Ų | 45 | 12% | 0.115 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -80 | -29 | 175.8 | -71.1 | 169.8 | 0 | 0 | 0 | 113.4 | I611 K660 R662 R678 L679 E680 | I611-L682 HydrophobicContact CG2-CD2 4.12Å; K660-L682 HydrophobicContact CG-CD2 4.15Å; R662-L682 HydrophobicContact CB-CD2 4.18Å; R662-L682 PolarHBondContact NH2-O 3.15Å; R678-L682 WeakPolarHBondContact O-CG 3.27Å; R678-L682 PolarHBondContact O-N 3.05Å; R678-L682 VanDerWaalsContact O-N 3.09Å; L679-L682 PolarHBondContact O-N 3.47Å; E680-L682 PolarHBondContact O-N 2.72Å |
| 683 | K | 75.3 | Confident | 77.4 | Confident | 153 Ų | 153 | 49.4 Ų | 49.4 | 67% | 0.665 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -87.1 | -22.6 | -177.2 | -77.2 | -178.6 | 175.9 | -174.7 | 0 | 114.3 | L679 E680 | L679-K683 HydrophobicContact CG-CD 4.3Å; L679-K683 WeakPolarHBondContact O-CB 3.37Å; L679-K683 WeakPolarHBondContact O-CG 3.33Å; L679-K683 PolarHBondContact O-N 2.83Å; E680-K683 PolarHBondContact O-N 3Å; E680-K683 VanDerWaalsContact O-N 3.11Å |
| 684 | Q | 72.8 | Confident | 77.6 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 12% | 0.121 | 25% | 0.253 | C | S | . | . | trans | -66.1 | 137.1 | -179.2 | 69.6 | -170.6 | -1.9 | 0 | 0 | 111 | R662 E680 A681 F686 Y715 | R662-Q684 PolarHBondContact NH1-O 3.03Å; R662-Q684 PolarHBondContact NH2-O 2.97Å; E680-Q684 PolarHBondContact O-N 3.19Å; E680-Q684 VanDerWaalsContact O-N 3.1Å; A681-Q684 WeakPolarHBondContact O-CG 3.11Å; A681-Q684 PolarHBondContact O-NE2 3.33Å; Q684-F686 VanDerWaalsContact CG-O 3.29Å; Q684-F686 WeakPolarHBondContact CG-O 3.33Å; Q684-F686 PolarHBondContact O-N 3.42Å; Q684-Y715 HydrophobicContact CB-CG 4.43Å | ||
| 685 | P | 69.8 | Low | 77.7 | Confident | 76 Ų | 76 | 48 Ų | 48 | 49% | 0.494 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -67.1 | -36.3 | -177.8 | 23 | -30.9 | 0 | 0 | 0 | 112.8 | Y715 | P685-Y715 HydrophobicContact CG-CD2 4.32Å; P685-Y715 HydrophobicContact CG-CE2 3.55Å |
| 686 | F | 71.9 | Confident | 77.8 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 4% | 0.044 | 26% | 0.26 | C | S | . | . | trans | -131.2 | 154.6 | 178.6 | 44.6 | -96.2 | 0 | 0 | 0 | 111.2 | Q684 T688 E691 A692 V698 F718 L760 | Q684-F686 VanDerWaalsContact CG-O 3.29Å; Q684-F686 WeakPolarHBondContact CG-O 3.33Å; Q684-F686 PolarHBondContact O-N 3.42Å; F686-T688 VanDerWaalsContact CD2-O 3.31Å; F686-T688 WeakPolarHBondContact CD2-O 3.23Å; F686-E691 WeakPolarHBondContact CA-OE2 3.2Å; F686-E691 HydrophobicContact CB-CB 3.57Å; F686-A692 HydrophobicContact CD1-CB 4.28Å; F686-A692 HydrophobicContact CD2-CB 4.38Å; F686-A692 HydrophobicContact CE1-CB 4.05Å; F686-A692 HydrophobicContact CE2-CB 4.14Å; F686-A692 HydrophobicContact CG-CB 4.46Å; F686-A692 HydrophobicContact CZ-CB 3.98Å; F686-V698 HydrophobicContact CE1-CG1 4.24Å; F686-F718 HydrophobicContact CD2-CD2 4.11Å; F686-F718 AromaticContact CD2-CE2 3.68Å; F686-F718 HydrophobicContact CD2-CE2 3.68Å; F686-F718 AromaticContact CD2-CZ 3.92Å; F686-F718 HydrophobicContact CD2-CZ 3.92Å; F686-F718 HydrophobicContact CE2-CD1 4.46Å; F686-F718 AromaticContact CE2-CD2 3.56Å; F686-F718 HydrophobicContact CE2-CD2 3.56Å; F686-F718 AromaticContact CE2-CE2 3.63Å; F686-F718 HydrophobicContact CE2-CE2 3.63Å; F686-F718 AromaticContact CE2-CG 3.99Å; F686-F718 HydrophobicContact CE2-CG 3.99Å; F686-F718 HydrophobicContact CE2-CZ 4.14Å; F686-L760 HydrophobicContact CE2-CD1 4.44Å; F686-L760 HydrophobicContact CZ-CD1 3.91Å | ||
| 687 | S | 66.4 | Low | 77.9 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -99.8 | -24.4 | -176.1 | 86.5 | 0 | 0 | 0 | 0 | 113.9 | E691 | S687-E691 PolarHBondContact N-OE2 2.98Å; S687-E691 PolarHBondContact OG-OE1 2.9Å; S687-E691 PolarHBondContact OG-OE2 3.05Å |
| 688 | T | 68.2 | Low | 77.8 | Confident | 24 Ų | 24 | 54.5 Ų | 54.5 | 15% | 0.147 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -128.6 | 162.2 | 177 | 59.3 | 0 | 0 | 0 | 0 | 110 | F686 E690 E691 | F686-T688 VanDerWaalsContact CD2-O 3.31Å; F686-T688 WeakPolarHBondContact CD2-O 3.23Å; T688-E690 VanDerWaalsContact C-N 3.29Å; T688-E691 PolarHBondContact N-OE1 3.38Å; T688-E691 PolarHBondContact O-N 2.9Å; T688-E691 VanDerWaalsContact OG1-CD 3.28Å; T688-E691 WeakPolarHBondContact OG1-CG 3.39Å; T688-E691 PolarHBondContact OG1-OE1 2.77Å |
| 689 | L | 71.7 | Confident | 77.9 | Confident | 20 Ų | 20 | 56.9 Ų | 56.9 | 11% | 0.105 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -68 | -32.1 | 179.3 | -169.8 | 74.3 | 0 | 0 | 0 | 111.9 | E691 A692 F718 V753 L755 R758 L760 | L689-E691 VanDerWaalsContact C-N 3.27Å; L689-E691 PolarHBondContact O-N 3.09Å; L689-A692 WeakPolarHBondContact O-CB 3.39Å; L689-A692 PolarHBondContact O-N 2.87Å; L689-A692 VanDerWaalsContact O-N 3.11Å; L689-F718 HydrophobicContact CB-CD1 4.48Å; L689-F718 HydrophobicContact CB-CE1 4.49Å; L689-F718 HydrophobicContact CD1-CD1 4.16Å; L689-V753 HydrophobicContact CD2-CG1 4.13Å; L689-V753 HydrophobicContact CG-CG1 3.83Å; L689-L755 HydrophobicContact CD2-CD2 4.44Å; L689-R758 HydrophobicContact CD2-CB 4.33Å; L689-L760 HydrophobicContact CD1-CD1 4.49Å; L689-L760 HydrophobicContact CD1-CD2 3.52Å; L689-L760 HydrophobicContact CD1-CG 3.67Å; L689-L760 HydrophobicContact CG-CD2 4.29Å |
| 690 | E | 69.5 | Low | 78.3 | Confident | 152 Ų | 152 | 53.3 Ų | 53.3 | 71% | 0.71 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -27.4 | 179.6 | -66.8 | 148.7 | -154 | 0 | 0 | 113 | T688 A692 L755 | T688-E690 VanDerWaalsContact C-N 3.29Å; E690-A692 PolarHBondContact O-N 3.01Å; E690-L755 HydrophobicContact CG-CD2 3.7Å |
| 691 | E | 70.3 | Confident | 78.9 | Confident | 71 Ų | 71 | 50.3 Ų | 50.3 | 33% | 0.332 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -9.3 | 175.2 | -75 | 163.8 | -129.6 | 0 | 0 | 113 | F686 S687 T688 L689 V693 | F686-E691 WeakPolarHBondContact CA-OE2 3.2Å; F686-E691 HydrophobicContact CB-CB 3.57Å; S687-E691 PolarHBondContact N-OE2 2.98Å; S687-E691 PolarHBondContact OG-OE1 2.9Å; S687-E691 PolarHBondContact OG-OE2 3.05Å; T688-E691 PolarHBondContact N-OE1 3.38Å; T688-E691 PolarHBondContact O-N 2.9Å; T688-E691 VanDerWaalsContact OG1-CD 3.28Å; T688-E691 WeakPolarHBondContact OG1-CG 3.39Å; T688-E691 PolarHBondContact OG1-OE1 2.77Å; L689-E691 VanDerWaalsContact C-N 3.27Å; L689-E691 PolarHBondContact O-N 3.09Å; E691-V693 PolarHBondContact O-N 3.09Å |
| 692 | A | 79.2 | Confident | 79.5 | Confident | 8 Ų | 8 | 49.8 Ų | 49.8 | 7% | 0.066 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 117 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | F686 L689 E690 V753 L760 | F686-A692 HydrophobicContact CD1-CB 4.28Å; F686-A692 HydrophobicContact CD2-CB 4.38Å; F686-A692 HydrophobicContact CE1-CB 4.05Å; F686-A692 HydrophobicContact CE2-CB 4.14Å; F686-A692 HydrophobicContact CG-CB 4.46Å; F686-A692 HydrophobicContact CZ-CB 3.98Å; L689-A692 WeakPolarHBondContact O-CB 3.39Å; L689-A692 PolarHBondContact O-N 2.87Å; L689-A692 VanDerWaalsContact O-N 3.11Å; E690-A692 PolarHBondContact O-N 3.01Å; A692-V753 HydrophobicContact CB-CG2 4.03Å; A692-V753 VanDerWaalsContact O-CG2 3.27Å; A692-V753 WeakPolarHBondContact O-CG2 3.34Å; A692-L760 HydrophobicContact CB-CD1 4.36Å; A692-L760 HydrophobicContact CB-CD2 3.63Å |
| 693 | V | 80.6 | Confident | 79.7 | Confident | 99 Ų | 99 | 50.2 Ų | 50.2 | 60% | 0.6 | 27% | 0.271 | S | S | * | . | P | Polyproline II helix | trans | -86.7 | 123.7 | -178.4 | -174.9 | 0 | 0 | 0 | 0 | 110 | E691 S696 | E691-V693 PolarHBondContact O-N 3.09Å; V693-S696 VanDerWaalsContact O-CB 3.27Å; V693-S696 WeakPolarHBondContact O-CB 3.3Å; V693-S696 PolarHBondContact O-N 2.78Å; V693-S696 VanDerWaalsContact O-N 3.14Å; V693-S696 PolarHBondContact O-OG 2.76Å |
| 694 | A | 85.7 | Confident | 80.3 | Confident | 13 Ų | 13 | 44.5 Ų | 44.5 | 11% | 0.107 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 137.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V777 N806 | A694-V777 HydrophobicContact CB-CG1 3.6Å; A694-V777 WeakPolarHBondContact O-CG1 3.2Å; A694-N806 HydrophobicContact CB-CB 4.06Å |
| 695 | G | 87 | Confident | 80.7 | Confident | 10 Ų | 10 | 44.1 Ų | 44.1 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -12.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | R749 V750 | G695-R749 WeakPolarHBondContact O-CD 3.18Å; G695-R749 WeakPolarHBondContact O-CG 3.47Å; G695-V750 PolarHBondContact N-O 3.35Å |
| 696 | S | 88.7 | Confident | 81.4 | Confident | 38 Ų | 38 | 41 Ų | 41 | 27% | 0.266 | 23% | 0.226 | S | C | . | . | trans | -69.7 | 145.4 | 178.6 | 64 | 0 | 0 | 0 | 0 | 113 | V693 R749 V750 | V693-S696 VanDerWaalsContact O-CB 3.27Å; V693-S696 WeakPolarHBondContact O-CB 3.3Å; V693-S696 PolarHBondContact O-N 2.78Å; V693-S696 VanDerWaalsContact O-N 3.14Å; V693-S696 PolarHBondContact O-OG 2.76Å; S696-R749 WeakPolarHBondContact O-CA 3.16Å; S696-V750 PolarHBondContact O-N 2.81Å | ||
| 697 | L | 89.7 | Confident | 81.7 | Confident | 95 Ų | 95 | 45.5 Ų | 45.5 | 50% | 0.497 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 126.2 | 174.4 | -74.7 | 168.7 | 0 | 0 | 0 | 110.5 | R749 V769 | L697-R749 HydrophobicContact CD2-CB 4Å; L697-R749 HydrophobicContact CD2-CG 4.12Å; L697-V769 HydrophobicContact CD2-CG1 3.91Å |
| 698 | V | 88.4 | Confident | 82.5 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.03 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 148.4 | -178.2 | -67.8 | 0 | 0 | 0 | 0 | 110.8 | F686 L714 V748 V750 L762 | F686-V698 HydrophobicContact CE1-CG1 4.24Å; V698-L714 HydrophobicContact CB-CD2 3.84Å; V698-L714 HydrophobicContact CG2-CD2 3.38Å; V698-V748 HydrophobicContact CG2-CG2 3.87Å; V698-V748 PolarHBondContact N-O 2.82Å; V698-V748 PolarHBondContact O-N 2.75Å; V698-V750 HydrophobicContact CG1-CG2 4.21Å; V698-V750 HydrophobicContact CG2-CG2 3.85Å; V698-L762 HydrophobicContact CG2-CD2 4.24Å |
| 699 | K | 86.9 | Confident | 83.5 | Confident | 144 Ų | 144 | 49.6 Ų | 49.6 | 63% | 0.626 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 130.2 | 173.2 | -68.2 | -174.4 | -179.8 | -177.1 | 0 | 109.2 | T747 | K699-T747 HydrophobicContact CG-CG2 4.37Å |
| 700 | C | 89.6 | Confident | 84.4 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.02 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 155.8 | 178.5 | 72 | 0 | 0 | 0 | 0 | 111.1 | V712 L714 K745 H746 V748 | C700-V712 HydrophobicContact CB-CB 3.89Å; C700-V712 HydrophobicContact CB-CG1 4.49Å; C700-V712 HydrophobicContact CB-CG2 3.76Å; C700-L714 HydrophobicContact CB-CD2 4.45Å; C700-L714 HydrophobicContact CB-CG 4.09Å; C700-K745 WeakPolarHBondContact O-CA 3.45Å; C700-H746 PolarHBondContact N-O 2.7Å; C700-H746 PolarHBondContact O-N 3.29Å; C700-H746 PolarHBondContact SG-O 2.79Å; C700-H746 VanDerWaalsContact SG-O 3.34Å; C700-V748 HydrophobicContact CB-CG2 4.09Å |
| 701 | T | 88 | Confident | 85.5 | Confident | 46 Ų | 46 | 43.2 Ų | 43.2 | 28% | 0.282 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 130.3 | 169.2 | 42.8 | 0 | 0 | 0 | 0 | 108.7 | A703 V712 K713 S744 K745 | T701-A703 PolarHBondContact O-N 2.82Å; T701-V712 CarbonylContact O-C 3.45Å; T701-V712 WeakPolarHBondContact O-CA 3.33Å; T701-V712 WeakPolarHBondContact O-CB 3.44Å; T701-K713 PolarHBondContact N-O 2.85Å; T701-K713 PolarHBondContact O-N 2.92Å; T701-K713 PolarHBondContact OG1-O 2.84Å; T701-K713 VanDerWaalsContact OG1-O 3.07Å; T701-S744 WeakPolarHBondContact CA-O 3.49Å; T701-K745 HydrophobicContact CG2-CD 4.38Å; T701-K745 HydrophobicContact CG2-CG 3.58Å |
| 702 | V | 89.9 | Confident | 86.6 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 122.7 | 177.1 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | V710 V712 F740 A741 G743 S744 | V702-V710 HydrophobicContact CG1-CG1 3.84Å; V702-V710 HydrophobicContact CG2-CG1 4.09Å; V702-V712 HydrophobicContact CG2-CG1 4.33Å; V702-F740 HydrophobicContact CG2-CB 4.21Å; V702-F740 HydrophobicContact CG2-CD1 4.1Å; V702-A741 WeakPolarHBondContact CB-O 3.36Å; V702-G743 WeakPolarHBondContact O-CA 3.45Å; V702-G743 PolarHBondContact O-N 3.24Å; V702-S744 WeakPolarHBondContact CG2-OG 3.39Å; V702-S744 PolarHBondContact N-O 3.1Å |
| 703 | A | 84.6 | Confident | 86.9 | Confident | 32 Ų | 32 | 44.4 Ų | 44.4 | 26% | 0.264 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -47.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | T701 Y711 I742 | T701-A703 PolarHBondContact O-N 2.82Å; A703-Y711 PolarHBondContact N-O 2.78Å; A703-I742 WeakPolarHBondContact O-CG2 3.42Å |
| 704 | Y | 87.8 | Confident | 87.1 | Confident | 32 Ų | 32 | 39.7 Ų | 39.7 | 13% | 0.125 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | 165.9 | 172.5 | 56.8 | -98.4 | 0 | 0 | 0 | 110.6 | Y711 A1810 | Y704-Y711 AromaticContact CD2-CD2 3.68Å; Y704-Y711 HydrophobicContact CD2-CD2 3.68Å; Y704-Y711 HydrophobicContact CD2-CE2 4.46Å; Y704-Y711 HydrophobicContact CD2-CG 4Å; Y704-Y711 HydrophobicContact CE1-CG 4.36Å; Y704-Y711 AromaticContact CE2-CD1 3.97Å; Y704-Y711 HydrophobicContact CE2-CD1 3.97Å; Y704-Y711 AromaticContact CE2-CD2 3.03Å; Y704-Y711 HydrophobicContact CE2-CD2 3.03Å; Y704-Y711 HydrophobicContact CE2-CE1 4.42Å; Y704-Y711 AromaticContact CE2-CE2 3.59Å; Y704-Y711 HydrophobicContact CE2-CE2 3.59Å; Y704-Y711 AromaticContact CE2-CG 3.23Å; Y704-Y711 HydrophobicContact CE2-CG 3.23Å; Y704-Y711 AromaticContact CZ-CD1 3.83Å; Y704-Y711 AromaticContact CZ-CD2 3.78Å; Y704-Y711 AromaticContact CZ-CG 3.47Å; Y704-Y711 VanDerWaalsContact CZ-CG 3.47Å; Y704-Y711 PolarHBondContact N-O 2.9Å; Y704-Y711 PolarHBondContact O-N 3.1Å; Y704-Y711 VanDerWaalsContact O-O 3.12Å; Y704-Y711 WeakPolarHBondContact OH-CD1 3.46Å; Y704-A1810 HydrophobicContact CD2-CB 3.2Å; Y704-A1810 HydrophobicContact CE1-CB 4.5Å; Y704-A1810 HydrophobicContact CE2-CB 3Å; Y704-A1810 HydrophobicContact CG-CB 4.06Å; Y704-A1810 PolarHBondContact OH-O 3.07Å |
| 705 | A | 81 | Confident | 86.5 | Confident | 18 Ų | 18 | 43.2 Ų | 43.2 | 15% | 0.149 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 133.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V710 V735 | A705-V710 HydrophobicContact CB-CB 4.49Å; A705-V710 HydrophobicContact CB-CG1 4.32Å; A705-V710 HydrophobicContact CB-CG2 4.07Å; A705-V735 HydrophobicContact CB-CG1 4.31Å |
| 706 | T | 84.7 | Confident | 85.5 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | trans | -97.3 | 175.2 | 167.6 | 62 | 0 | 0 | 0 | 0 | 109.4 | E708 Q709 Y711 V735 A1810 | T706-E708 PolarHBondContact O-N 3.24Å; T706-E708 PolarHBondContact OG1-N 2.89Å; T706-Q709 PolarHBondContact N-O 3.2Å; T706-Q709 PolarHBondContact OG1-N 3.11Å; T706-Q709 PolarHBondContact OG1-O 2.94Å; T706-Y711 HydrophobicContact CG2-CE2 4.19Å; T706-V735 WeakPolarHBondContact O-CB 3.24Å; T706-A1810 HydrophobicContact CG2-CB 3.6Å | ||
| 707 | E | 77.8 | Confident | 84.5 | Confident | 105 Ų | 105 | 53.5 Ų | 53.5 | 49% | 0.491 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -65.2 | -23.1 | 175.3 | -63.4 | -179.1 | 178.8 | 0 | 0 | 112.8 | V735 R737 | E707-V735 WeakPolarHBondContact O-CG2 3.46Å; E707-V735 PolarHBondContact O-N 2.96Å; E707-R737 IonicContact OE1-NH2 3.67Å |
| 708 | E | 83.4 | Confident | 84 | Confident | 86 Ų | 86 | 50.2 Ų | 50.2 | 40% | 0.402 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -104.6 | -31.7 | -175.9 | -75.2 | -66.2 | 150 | 0 | 0 | 114.4 | T706 K724 | T706-E708 PolarHBondContact O-N 3.24Å; T706-E708 PolarHBondContact OG1-N 2.89Å; E708-K724 VanDerWaalsContact CD-NZ 3.28Å; E708-K724 WeakPolarHBondContact O-CB 3.49Å; E708-K724 PolarHBondContact O-N 2.86Å; E708-K724 IonicContact OE1-NZ 3.39Å; E708-K724 PolarHBondContact OE1-NZ 2.76Å; E708-K724 WeakPolarHBondContact OE2-CD 3.37Å; E708-K724 WeakPolarHBondContact OE2-CE 3.33Å; E708-K724 IonicContact OE2-NZ 3.95Å; E708-K724 PolarHBondContact OE2-NZ 2.86Å |
| 709 | Q | 89.6 | Confident | 83.8 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 23% | 0.229 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 144.8 | -171.6 | -55.4 | -174.3 | 8.6 | 0 | 0 | 112.6 | T706 Y711 V721 I722 R723 | T706-Q709 PolarHBondContact N-O 3.2Å; T706-Q709 PolarHBondContact OG1-N 3.11Å; T706-Q709 PolarHBondContact OG1-O 2.94Å; Q709-Y711 HydrophobicContact CB-CD2 4.44Å; Q709-Y711 HydrophobicContact CB-CE2 3.94Å; Q709-V721 HydrophobicContact CB-CG1 4.46Å; Q709-I722 CarbonylContact C-O 3.59Å; Q709-I722 WeakPolarHBondContact CA-O 3.43Å; Q709-R723 HydrophobicContact CG-CG 4.34Å |
| 710 | V | 91.1 | Very high | 84 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 125.9 | 170.5 | -174.7 | 0 | 0 | 0 | 0 | 109.1 | V702 A705 V712 V721 I722 V735 F740 | V702-V710 HydrophobicContact CG1-CG1 3.84Å; V702-V710 HydrophobicContact CG2-CG1 4.09Å; A705-V710 HydrophobicContact CB-CB 4.49Å; A705-V710 HydrophobicContact CB-CG1 4.32Å; A705-V710 HydrophobicContact CB-CG2 4.07Å; V710-V712 HydrophobicContact CG1-CG1 3.92Å; V710-V721 CarbonylContact O-C 3.48Å; V710-V721 WeakPolarHBondContact O-CA 3.44Å; V710-I722 HydrophobicContact CB-CB 4.2Å; V710-I722 HydrophobicContact CB-CD1 4.4Å; V710-I722 HydrophobicContact CG1-CD1 4.49Å; V710-I722 PolarHBondContact N-O 3.26Å; V710-I722 PolarHBondContact O-N 2.84Å; V710-V735 HydrophobicContact CG2-CG1 3.44Å; V710-V735 VanDerWaalsContact CG2-CG1 3.44Å; V710-V735 HydrophobicContact CG2-CG2 4.45Å; V710-F740 HydrophobicContact CG1-CB 4.08Å; V710-F740 HydrophobicContact CG1-CD1 4.09Å; V710-F740 HydrophobicContact CG1-CG 4.18Å; V710-F740 HydrophobicContact CG2-CB 4.07Å; V710-F740 HydrophobicContact CG2-CD1 4.25Å; V710-F740 HydrophobicContact CG2-CD2 3.88Å; V710-F740 HydrophobicContact CG2-CE2 4.36Å; V710-F740 HydrophobicContact CG2-CG 3.81Å |
| 711 | Y | 91.8 | Very high | 84.2 | Confident | 39 Ų | 39 | 47.4 Ų | 47.4 | 15% | 0.153 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 131 | 177.2 | -67.9 | -106.1 | 0 | 0 | 0 | 109.1 | A703 Y704 T706 Q709 V721 | A703-Y711 PolarHBondContact N-O 2.78Å; Y704-Y711 AromaticContact CD2-CD2 3.68Å; Y704-Y711 HydrophobicContact CD2-CD2 3.68Å; Y704-Y711 HydrophobicContact CD2-CE2 4.46Å; Y704-Y711 HydrophobicContact CD2-CG 4Å; Y704-Y711 HydrophobicContact CE1-CG 4.36Å; Y704-Y711 AromaticContact CE2-CD1 3.97Å; Y704-Y711 HydrophobicContact CE2-CD1 3.97Å; Y704-Y711 AromaticContact CE2-CD2 3.03Å; Y704-Y711 HydrophobicContact CE2-CD2 3.03Å; Y704-Y711 HydrophobicContact CE2-CE1 4.42Å; Y704-Y711 AromaticContact CE2-CE2 3.59Å; Y704-Y711 HydrophobicContact CE2-CE2 3.59Å; Y704-Y711 AromaticContact CE2-CG 3.23Å; Y704-Y711 HydrophobicContact CE2-CG 3.23Å; Y704-Y711 AromaticContact CZ-CD1 3.83Å; Y704-Y711 AromaticContact CZ-CD2 3.78Å; Y704-Y711 AromaticContact CZ-CG 3.47Å; Y704-Y711 VanDerWaalsContact CZ-CG 3.47Å; Y704-Y711 PolarHBondContact N-O 2.9Å; Y704-Y711 PolarHBondContact O-N 3.1Å; Y704-Y711 VanDerWaalsContact O-O 3.12Å; Y704-Y711 WeakPolarHBondContact OH-CD1 3.46Å; T706-Y711 HydrophobicContact CG2-CE2 4.19Å; Q709-Y711 HydrophobicContact CB-CD2 4.44Å; Q709-Y711 HydrophobicContact CB-CE2 3.94Å; Y711-V721 HydrophobicContact CD1-CG2 3.37Å; Y711-V721 HydrophobicContact CD2-CG2 4.32Å; Y711-V721 HydrophobicContact CE1-CG2 3.48Å; Y711-V721 VanDerWaalsContact CE1-CG2 3.48Å; Y711-V721 HydrophobicContact CE2-CG2 4.43Å; Y711-V721 HydrophobicContact CG-CG2 3.85Å |
| 712 | V | 93 | Very high | 84.5 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 151 | -172.9 | -53 | 0 | 0 | 0 | 0 | 111.2 | C700 T701 V702 V710 L714 G720 I722 L762 | C700-V712 HydrophobicContact CB-CB 3.89Å; C700-V712 HydrophobicContact CB-CG1 4.49Å; C700-V712 HydrophobicContact CB-CG2 3.76Å; T701-V712 CarbonylContact O-C 3.45Å; T701-V712 WeakPolarHBondContact O-CA 3.33Å; T701-V712 WeakPolarHBondContact O-CB 3.44Å; V702-V712 HydrophobicContact CG2-CG1 4.33Å; V710-V712 HydrophobicContact CG1-CG1 3.92Å; V712-L714 HydrophobicContact CG2-CD1 4.24Å; V712-G720 PolarHBondContact N-O 3.02Å; V712-G720 PolarHBondContact O-N 3.43Å; V712-I722 HydrophobicContact CG1-CD1 3.96Å; V712-L762 HydrophobicContact CG2-CD1 3.33Å |
| 713 | K | 86.4 | Confident | 84.6 | Confident | 101 Ų | 101 | 49.8 Ų | 49.8 | 44% | 0.439 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 132.2 | 167.4 | -86.6 | 177.9 | 178.1 | 167.1 | 0 | 109.9 | T701 F718 | T701-K713 PolarHBondContact N-O 2.85Å; T701-K713 PolarHBondContact O-N 2.92Å; T701-K713 PolarHBondContact OG1-O 2.84Å; T701-K713 VanDerWaalsContact OG1-O 3.07Å; K713-F718 CarbonylContact C-O 3.6Å; K713-F718 WeakPolarHBondContact CA-O 3.19Å |
| 714 | L | 83.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 122.2 | 172 | -53.4 | 95.2 | 0 | 0 | 0 | 108.7 | V698 C700 V712 K716 T717 F718 L760 L762 | V698-L714 HydrophobicContact CB-CD2 3.84Å; V698-L714 HydrophobicContact CG2-CD2 3.38Å; C700-L714 HydrophobicContact CB-CD2 4.45Å; C700-L714 HydrophobicContact CB-CG 4.09Å; V712-L714 HydrophobicContact CG2-CD1 4.24Å; L714-K716 PolarHBondContact O-N 2.53Å; L714-T717 PolarHBondContact O-N 2.83Å; L714-T717 VanDerWaalsContact O-N 3.16Å; L714-F718 HydrophobicContact CB-CB 4.34Å; L714-F718 HydrophobicContact CD1-CB 4.45Å; L714-F718 PolarHBondContact N-O 2.78Å; L714-F718 PolarHBondContact O-N 3.49Å; L714-F718 VanDerWaalsContact O-N 3.09Å; L714-L760 HydrophobicContact CD1-CD1 4.11Å; L714-L760 HydrophobicContact CD2-CD1 3.95Å; L714-L762 HydrophobicContact CD1-CD1 4.18Å; L714-L762 HydrophobicContact CD2-CD1 4.38Å; L714-L762 HydrophobicContact CD2-CD2 4.46Å |
| 715 | Y | 73.1 | Confident | 84.9 | Confident | 87 Ų | 87 | 52 Ų | 52 | 34% | 0.341 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 26 | 178.3 | -50.7 | -79.4 | 0 | 0 | 0 | 115 | Q684 P685 T717 | Q684-Y715 HydrophobicContact CB-CG 4.43Å; P685-Y715 HydrophobicContact CG-CD2 4.32Å; P685-Y715 HydrophobicContact CG-CE2 3.55Å; Y715-T717 PolarHBondContact O-N 3.42Å; Y715-T717 VanDerWaalsContact O-N 3.14Å; Y715-T717 PolarHBondContact O-OG1 2.91Å |
| 716 | K | 66.4 | Low | 85.5 | Confident | 178 Ų | 178 | 51.2 Ų | 51.2 | 77% | 0.774 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | -7.4 | -175.2 | -55.3 | -177.3 | 174.7 | -174.9 | 0 | 116.2 | L714 | L714-K716 PolarHBondContact O-N 2.53Š|
| 717 | T | 67 | Low | 85.7 | Confident | 85 Ų | 85 | 50.8 Ų | 50.8 | 52% | 0.521 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -38.3 | -173.7 | 30 | 0 | 0 | 0 | 0 | 113.6 | L714 Y715 | L714-T717 PolarHBondContact O-N 2.83Å; L714-T717 VanDerWaalsContact O-N 3.16Å; Y715-T717 PolarHBondContact O-N 3.42Å; Y715-T717 VanDerWaalsContact O-N 3.14Å; Y715-T717 PolarHBondContact O-OG1 2.91Å |
| 718 | F | 79.4 | Confident | 86.3 | Confident | 26 Ų | 26 | 47 Ų | 47 | 11% | 0.114 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 140.4 | -173.3 | -56.4 | -76.2 | 0 | 0 | 0 | 111 | F686 L689 K713 L714 | F686-F718 HydrophobicContact CD2-CD2 4.11Å; F686-F718 AromaticContact CD2-CE2 3.68Å; F686-F718 HydrophobicContact CD2-CE2 3.68Å; F686-F718 AromaticContact CD2-CZ 3.92Å; F686-F718 HydrophobicContact CD2-CZ 3.92Å; F686-F718 HydrophobicContact CE2-CD1 4.46Å; F686-F718 AromaticContact CE2-CD2 3.56Å; F686-F718 HydrophobicContact CE2-CD2 3.56Å; F686-F718 AromaticContact CE2-CE2 3.63Å; F686-F718 HydrophobicContact CE2-CE2 3.63Å; F686-F718 AromaticContact CE2-CG 3.99Å; F686-F718 HydrophobicContact CE2-CG 3.99Å; F686-F718 HydrophobicContact CE2-CZ 4.14Å; L689-F718 HydrophobicContact CB-CD1 4.48Å; L689-F718 HydrophobicContact CB-CE1 4.49Å; L689-F718 HydrophobicContact CD1-CD1 4.16Å; K713-F718 CarbonylContact C-O 3.6Å; K713-F718 WeakPolarHBondContact CA-O 3.19Å; L714-F718 HydrophobicContact CB-CB 4.34Å; L714-F718 HydrophobicContact CD1-CB 4.45Å; L714-F718 PolarHBondContact N-O 2.78Å; L714-F718 PolarHBondContact O-N 3.49Å; L714-F718 VanDerWaalsContact O-N 3.09Å |
| 719 | N | 85.7 | Confident | 86.4 | Confident | 89 Ų | 89 | 45.1 Ų | 45.1 | 48% | 0.476 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 146.9 | 176.7 | -62.7 | -27.5 | 0 | 0 | 0 | 109.5 | R759 L760 | N719-R759 CarbonylContact O-C 3.52Å; N719-R759 VanDerWaalsContact O-CA 3.26Å; N719-R759 WeakPolarHBondContact O-CA 3.38Å; N719-R759 WeakPolarHBondContact O-CB 3.34Å; N719-L760 PolarHBondContact O-N 2.82Å |
| 720 | G | 90.7 | Very high | 85.9 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 163.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V712 L760 | V712-G720 PolarHBondContact N-O 3.02Å; V712-G720 PolarHBondContact O-N 3.43Å; G720-L760 CarbonylContact C-O 3.52Å; G720-L760 WeakPolarHBondContact CA-O 3.44Å |
| 721 | V | 93.8 | Very high | 85.1 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 138.6 | -178.5 | 144.3 | 0 | 0 | 0 | 0 | 110.7 | Q709 V710 Y711 R723 L760 L761 L762 | Q709-V721 HydrophobicContact CB-CG1 4.46Å; V710-V721 CarbonylContact O-C 3.48Å; V710-V721 WeakPolarHBondContact O-CA 3.44Å; Y711-V721 HydrophobicContact CD1-CG2 3.37Å; Y711-V721 HydrophobicContact CD2-CG2 4.32Å; Y711-V721 HydrophobicContact CE1-CG2 3.48Å; Y711-V721 VanDerWaalsContact CE1-CG2 3.48Å; Y711-V721 HydrophobicContact CE2-CG2 4.43Å; Y711-V721 HydrophobicContact CG-CG2 3.85Å; V721-R723 HydrophobicContact CG1-CG 4.23Å; V721-L760 PolarHBondContact N-O 3.41Å; V721-L761 HydrophobicContact CG1-CD2 4.25Å; V721-L762 PolarHBondContact O-N 3.09Å |
| 722 | I | 93.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 115.7 | 169.9 | -51.3 | 159.7 | 0 | 0 | 0 | 107 | Q709 V710 V712 H726 F740 V748 L762 A764 | Q709-I722 CarbonylContact C-O 3.59Å; Q709-I722 WeakPolarHBondContact CA-O 3.43Å; V710-I722 HydrophobicContact CB-CB 4.2Å; V710-I722 HydrophobicContact CB-CD1 4.4Å; V710-I722 HydrophobicContact CG1-CD1 4.49Å; V710-I722 PolarHBondContact N-O 3.26Å; V710-I722 PolarHBondContact O-N 2.84Å; V712-I722 HydrophobicContact CG1-CD1 3.96Å; I722-H726 HydrophobicContact CG2-CB 4.1Å; I722-F740 HydrophobicContact CD1-CE1 4.23Å; I722-V748 HydrophobicContact CD1-CG1 4.02Å; I722-L762 HydrophobicContact CG1-CB 3.79Å; I722-A764 HydrophobicContact CD1-CB 4.3Å; I722-A764 HydrophobicContact CG2-CB 4.18Å |
| 723 | R | 92 | Very high | 82.7 | Confident | 100 Ų | 100 | 55.5 Ų | 55.5 | 38% | 0.377 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 156.7 | 177.3 | -66.2 | -169.5 | -84.7 | -154.8 | -3.5 | 111.2 | Q709 V721 I725 H726 C727 | Q709-R723 HydrophobicContact CG-CG 4.34Å; V721-R723 HydrophobicContact CG1-CG 4.23Å; R723-I725 HydrophobicContact CB-CG1 4.25Å; R723-I725 PolarHBondContact O-N 2.81Å; R723-I725 VanDerWaalsContact O-N 3.15Å; R723-H726 CarbonylContact O-C 3.1Å; R723-H726 WeakPolarHBondContact O-CA 3.34Å; R723-H726 PolarHBondContact O-N 3.03Å; R723-C727 PolarHBondContact O-N 3.48Å; R723-C727 PolarHBondContact O-SG 3.08Å; R723-C727 VanDerWaalsContact O-SG 3.35Å |
| 724 | K | 88.3 | Confident | 82.2 | Confident | 59 Ų | 59 | 57.1 Ų | 57.1 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -50.6 | -41 | -179.8 | 63.5 | 174.8 | 176.1 | -166.4 | 0 | 113.7 | E708 H726 C727 N732 V735 | E708-K724 VanDerWaalsContact CD-NZ 3.28Å; E708-K724 WeakPolarHBondContact O-CB 3.49Å; E708-K724 PolarHBondContact O-N 2.86Å; E708-K724 IonicContact OE1-NZ 3.39Å; E708-K724 PolarHBondContact OE1-NZ 2.76Å; E708-K724 WeakPolarHBondContact OE2-CD 3.37Å; E708-K724 WeakPolarHBondContact OE2-CE 3.33Å; E708-K724 IonicContact OE2-NZ 3.95Å; E708-K724 PolarHBondContact OE2-NZ 2.86Å; K724-H726 PolarHBondContact O-N 2.91Å; K724-H726 VanDerWaalsContact O-N 3.16Å; K724-C727 WeakPolarHBondContact O-CB 3.39Å; K724-C727 PolarHBondContact O-N 3.02Å; K724-N732 PolarHBondContact O-ND2 2.78Å; K724-V735 HydrophobicContact CB-CG2 3.98Å |
| 725 | I | 90.3 | Very high | 82.1 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -63.3 | -21.7 | 177.9 | 63.5 | 170.4 | 0 | 0 | 0 | 112.7 | R723 K765 | R723-I725 HydrophobicContact CB-CG1 4.25Å; R723-I725 PolarHBondContact O-N 2.81Å; R723-I725 VanDerWaalsContact O-N 3.15Å; I725-K765 WeakPolarHBondContact O-CE 3.38Å; I725-K765 PolarHBondContact O-NZ 2.92Å |
| 726 | H | 93.6 | Very high | 82.4 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -107.1 | 7.4 | -179.8 | -63.8 | -63.8 | 0 | 0 | 0 | 114 | I722 R723 K724 L751 A764 K765 Y791 | I722-H726 HydrophobicContact CG2-CB 4.1Å; R723-H726 CarbonylContact O-C 3.1Å; R723-H726 WeakPolarHBondContact O-CA 3.34Å; R723-H726 PolarHBondContact O-N 3.03Å; K724-H726 PolarHBondContact O-N 2.91Å; K724-H726 VanDerWaalsContact O-N 3.16Å; H726-L751 HydrophobicContact CB-CD1 4.49Å; H726-L751 VanDerWaalsContact CD2-CD1 3.49Å; H726-L751 WeakPolarHBondContact CD2-CD1 3.39Å; H726-L751 WeakPolarHBondContact NE2-CD1 3.31Å; H726-A764 CarbonylContact O-C 3.44Å; H726-A764 WeakPolarHBondContact O-CA 3.16Å; H726-A764 PolarHBondContact O-N 3.49Å; H726-K765 PolarHBondContact O-N 3.34Å; H726-Y791 AromaticContact CE1-CD2 3.83Å; H726-Y791 AromaticContact CE1-CE1 3.83Å; H726-Y791 AromaticContact CE1-CE2 3.53Å; H726-Y791 AromaticContact CE1-CZ 3.56Å; H726-Y791 AromaticContact NE2-CE2 3.85Å; H726-Y791 AromaticContact NE2-CZ 3.87Å |
| 727 | C | 89.4 | Confident | 82.9 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -76.7 | -30.6 | -179.1 | -75.5 | 0 | 0 | 0 | 0 | 113.2 | R723 K724 K739 F740 | R723-C727 PolarHBondContact O-N 3.48Å; R723-C727 PolarHBondContact O-SG 3.08Å; R723-C727 VanDerWaalsContact O-SG 3.35Å; K724-C727 WeakPolarHBondContact O-CB 3.39Å; K724-C727 PolarHBondContact O-N 3.02Å; C727-K739 PolarHBondContact O-NZ 2.93Å; C727-F740 HydrophobicContact CB-CE2 3.8Å; C727-F740 HydrophobicContact CB-CZ 4.24Å |
| 728 | S | 88.9 | Confident | 83.5 | Confident | 27 Ų | 27 | 55.6 Ų | 55.6 | 19% | 0.189 | 29% | 0.292 | C | S | . | . | trans | -160 | 171.3 | 172.9 | 49.2 | 0 | 0 | 0 | 0 | 110.1 | N732 K765 | S728-N732 PolarHBondContact N-ND2 2.85Å; S728-N732 VanDerWaalsContact OG-CG 3.26Å; S728-N732 PolarHBondContact OG-ND2 3.33Å; S728-N732 PolarHBondContact OG-OD1 2.8Å; S728-K765 PolarHBondContact O-NZ 2.57Å | ||
| 729 | D | 85.6 | Confident | 83.6 | Confident | 45 Ų | 45 | 57.7 Ų | 57.7 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -68.9 | -41.4 | -179.8 | -61.7 | -69.1 | 0 | 0 | 0 | 112.5 | K765 K766 S767 Y831 | D729-K765 PolarHBondContact O-NZ 3.33Å; D729-K765 WeakPolarHBondContact OD1-CB 3.35Å; D729-K766 WeakPolarHBondContact OD2-CA 3.23Å; D729-K766 VanDerWaalsContact OD2-CB 3.31Å; D729-K766 WeakPolarHBondContact OD2-CB 3.38Å; D729-K766 PolarHBondContact OD2-N 3.18Å; D729-S767 WeakPolarHBondContact OD1-CB 3.41Å; D729-S767 PolarHBondContact OD1-N 3.47Å; D729-S767 PolarHBondContact OD1-OG 3.19Å; D729-S767 PolarHBondContact OD2-N 2.86Å; D729-Y831 PolarHBondContact O-OH 3.37Å |
| 730 | A | 79.1 | Confident | 83.8 | Confident | 57 Ų | 57 | 53.6 Ų | 53.6 | 47% | 0.471 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -59.1 | 148.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | N732 | A730-N732 PolarHBondContact O-N 3.47Š|
| 731 | P | 74.7 | Confident | 83.4 | Confident | 88 Ų | 88 | 55.9 Ų | 55.9 | 57% | 0.571 | 30% | 0.298 | S | S | * | . | trans | -62.8 | 106.7 | 174.4 | 23.8 | -29.9 | 0 | 0 | 0 | 109.7 | Y831 | P731-Y831 HydrophobicContact CB-CD2 3.76Å; P731-Y831 HydrophobicContact CB-CE2 3.76Å; P731-Y831 HydrophobicContact CB-CG 4.38Å; P731-Y831 HydrophobicContact CG-CD2 4.33Å; P731-Y831 HydrophobicContact CG-CE2 4.11Å | ||
| 732 | N | 67.5 | Low | 83 | Confident | 41 Ų | 41 | 59.3 Ų | 59.3 | 22% | 0.219 | 32% | 0.316 | C | S | . | . | trans | -91.2 | 115.7 | 179.8 | -65.4 | -41.6 | 0 | 0 | 0 | 110 | K724 S728 A730 F734 | K724-N732 PolarHBondContact O-ND2 2.78Å; S728-N732 PolarHBondContact N-ND2 2.85Å; S728-N732 VanDerWaalsContact OG-CG 3.26Å; S728-N732 PolarHBondContact OG-ND2 3.33Å; S728-N732 PolarHBondContact OG-OD1 2.8Å; A730-N732 PolarHBondContact O-N 3.47Å; N732-F734 VanDerWaalsContact C-N 3.31Å | ||
| 733 | V | 67.2 | Low | 82.4 | Confident | 123 Ų | 123 | 61.6 Ų | 61.6 | 75% | 0.745 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -66.2 | -38.9 | 167.2 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | ||
| 734 | F | 76.2 | Confident | 82.2 | Confident | 136 Ų | 136 | 58.3 Ų | 58.3 | 60% | 0.596 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -141.3 | 158.2 | 178.3 | 55.7 | -91.1 | 0 | 0 | 0 | 111.8 | N732 N736 | N732-F734 VanDerWaalsContact C-N 3.31Å; F734-N736 PolarHBondContact O-N 2.85Å |
| 735 | V | 80.8 | Confident | 82.3 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.018 | 36% | 0.356 | C | S | . | . | trans | -68.7 | 122.5 | 175.3 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | A705 T706 E707 V710 K724 R737 F740 | A705-V735 HydrophobicContact CB-CG1 4.31Å; T706-V735 WeakPolarHBondContact O-CB 3.24Å; E707-V735 WeakPolarHBondContact O-CG2 3.46Å; E707-V735 PolarHBondContact O-N 2.96Å; V710-V735 HydrophobicContact CG2-CG1 3.44Å; V710-V735 VanDerWaalsContact CG2-CG1 3.44Å; V710-V735 HydrophobicContact CG2-CG2 4.45Å; K724-V735 HydrophobicContact CB-CG2 3.98Å; V735-R737 PolarHBondContact O-N 2.81Å; V735-F740 HydrophobicContact CG1-CD2 4.18Å | ||
| 736 | N | 80.6 | Confident | 82.3 | Confident | 77 Ų | 77 | 63.5 Ų | 63.5 | 41% | 0.412 | 35% | 0.352 | S | S | . | . | trans | -70.5 | 101.3 | 174.9 | -175.1 | -20.6 | 0 | 0 | 0 | 111 | F734 N738 K739 F740 | F734-N736 PolarHBondContact O-N 2.85Å; N736-N738 PolarHBondContact O-N 3.47Å; N736-N738 WeakPolarHBondContact OD1-CB 3.39Å; N736-N738 PolarHBondContact OD1-N 2.9Å; N736-K739 HydrophobicContact CB-CB 4.32Å; N736-K739 PolarHBondContact O-N 2.8Å; N736-K739 PolarHBondContact OD1-N 2.96Å; N736-F740 PolarHBondContact O-N 3.25Å | ||
| 737 | R | 75.8 | Confident | 82.2 | Confident | 86 Ų | 86 | 67.2 Ų | 67.2 | 33% | 0.325 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -25.9 | -179.3 | -64.7 | -173.3 | -175.4 | -170.9 | 4.4 | 113.6 | E707 V735 K739 F740 A741 | E707-R737 IonicContact OE1-NH2 3.67Å; V735-R737 PolarHBondContact O-N 2.81Å; R737-K739 VanDerWaalsContact C-N 3.35Å; R737-F740 CarbonylContact O-C 3.52Å; R737-F740 VanDerWaalsContact O-C 3.23Å; R737-F740 PolarHBondContact O-N 3.32Å; R737-A741 PolarHBondContact O-N 2.79Å |
| 738 | N | 79.6 | Confident | 82.4 | Confident | 151 Ų | 151 | 67.1 Ų | 67.1 | 81% | 0.807 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -35.2 | 176.9 | -61.6 | -9.2 | 0 | 0 | 0 | 111.2 | N736 | N736-N738 PolarHBondContact O-N 3.47Å; N736-N738 WeakPolarHBondContact OD1-CB 3.39Å; N736-N738 PolarHBondContact OD1-N 2.9Å |
| 739 | K | 82.7 | Confident | 82.6 | Confident | 70 Ų | 70 | 66.8 Ų | 66.8 | 30% | 0.304 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -36.9 | 174.9 | -177.5 | -179.9 | 174.4 | -173 | 0 | 111.9 | C727 N736 R737 H746 | C727-K739 PolarHBondContact O-NZ 2.93Å; N736-K739 HydrophobicContact CB-CB 4.32Å; N736-K739 PolarHBondContact O-N 2.8Å; N736-K739 PolarHBondContact OD1-N 2.96Å; R737-K739 VanDerWaalsContact C-N 3.35Å; K739-H746 PolarHBondContact O-CE1 3.41Å; K739-H746 PolarHBondContact O-NE2 3.35Å; K739-H746 VanDerWaalsContact O-NE2 3.16Å |
| 740 | F | 89.3 | Confident | 83 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.018 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 57 | -177.3 | -61.5 | -79.1 | 0 | 0 | 0 | 111.5 | V702 V710 I722 C727 V735 N736 R737 H746 A764 | V702-F740 HydrophobicContact CG2-CB 4.21Å; V702-F740 HydrophobicContact CG2-CD1 4.1Å; V710-F740 HydrophobicContact CG1-CB 4.08Å; V710-F740 HydrophobicContact CG1-CD1 4.09Å; V710-F740 HydrophobicContact CG1-CG 4.18Å; V710-F740 HydrophobicContact CG2-CB 4.07Å; V710-F740 HydrophobicContact CG2-CD1 4.25Å; V710-F740 HydrophobicContact CG2-CD2 3.88Å; V710-F740 HydrophobicContact CG2-CE2 4.36Å; V710-F740 HydrophobicContact CG2-CG 3.81Å; I722-F740 HydrophobicContact CD1-CE1 4.23Å; C727-F740 HydrophobicContact CB-CE2 3.8Å; C727-F740 HydrophobicContact CB-CZ 4.24Å; V735-F740 HydrophobicContact CG1-CD2 4.18Å; N736-F740 PolarHBondContact O-N 3.25Å; R737-F740 CarbonylContact O-C 3.52Å; R737-F740 VanDerWaalsContact O-C 3.23Å; R737-F740 PolarHBondContact O-N 3.32Å; F740-H746 AromaticContact CD1-CD2 3.95Å; F740-H746 AromaticContact CD1-NE2 3.85Å; F740-A764 HydrophobicContact CE1-CB 4.16Å; F740-A764 HydrophobicContact CZ-CB 3.88Å |
| 741 | A | 82.9 | Confident | 83.6 | Confident | 50 Ų | 50 | 62.4 Ų | 62.4 | 41% | 0.413 | 34% | 0.338 | S | S | . | . | trans | -62.7 | 147 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V702 R737 G743 S744 | V702-A741 WeakPolarHBondContact CB-O 3.36Å; R737-A741 PolarHBondContact O-N 2.79Å; A741-G743 PolarHBondContact O-N 2.98Å; A741-S744 VanDerWaalsContact O-CB 3.26Å; A741-S744 WeakPolarHBondContact O-CB 3.43Å; A741-S744 PolarHBondContact O-N 3.35Å; A741-S744 PolarHBondContact O-OG 2.91Å | ||
| 742 | I | 83.9 | Confident | 84.3 | Confident | 75 Ų | 75 | 58.2 Ų | 58.2 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 132.4 | 179.9 | -61.6 | 179.3 | 0 | 0 | 0 | 109.5 | A703 S744 V1846 | A703-I742 WeakPolarHBondContact O-CG2 3.42Å; I742-S744 VanDerWaalsContact C-N 3.29Å; I742-S744 PolarHBondContact O-N 3.42Å; I742-V1846 HydrophobicContact CD1-CG2 3.85Å |
| 743 | G | 81.7 | Confident | 85.2 | Confident | 47 Ų | 47 | 58 Ų | 58 | 49% | 0.485 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -10.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116 | V702 A741 | V702-G743 WeakPolarHBondContact O-CA 3.45Å; V702-G743 PolarHBondContact O-N 3.24Å; A741-G743 PolarHBondContact O-N 2.98Å |
| 744 | S | 89 | Confident | 85.9 | Confident | 32 Ų | 32 | 53.9 Ų | 53.9 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | trans | -61.7 | 145.1 | 177.2 | 72.8 | 0 | 0 | 0 | 0 | 111.3 | T701 V702 A741 I742 H746 | T701-S744 WeakPolarHBondContact CA-O 3.49Å; V702-S744 WeakPolarHBondContact CG2-OG 3.39Å; V702-S744 PolarHBondContact N-O 3.1Å; A741-S744 VanDerWaalsContact O-CB 3.26Å; A741-S744 WeakPolarHBondContact O-CB 3.43Å; A741-S744 PolarHBondContact O-N 3.35Å; A741-S744 PolarHBondContact O-OG 2.91Å; I742-S744 VanDerWaalsContact C-N 3.29Å; I742-S744 PolarHBondContact O-N 3.42Å; S744-H746 PolarHBondContact OG-CD2 2.93Å; S744-H746 VanDerWaalsContact OG-CD2 3.22Å; S744-H746 PolarHBondContact OG-NE2 2.89Å | ||
| 745 | K | 89.8 | Confident | 85.7 | Confident | 176 Ų | 176 | 52.2 Ų | 52.2 | 77% | 0.765 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 125.3 | -179.2 | -73.6 | 174.9 | -174.7 | 169.3 | 0 | 110.3 | C700 T701 | C700-K745 WeakPolarHBondContact O-CA 3.45Å; T701-K745 HydrophobicContact CG2-CD 4.38Å; T701-K745 HydrophobicContact CG2-CG 3.58Å |
| 746 | H | 90.6 | Very high | 84.9 | Confident | 42 Ų | 42 | 61.2 Ų | 61.2 | 19% | 0.194 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 140.4 | 177.5 | -63.7 | -86.7 | 0 | 0 | 0 | 111.2 | C700 K739 F740 S744 V748 | C700-H746 PolarHBondContact N-O 2.7Å; C700-H746 PolarHBondContact O-N 3.29Å; C700-H746 PolarHBondContact SG-O 2.79Å; C700-H746 VanDerWaalsContact SG-O 3.34Å; K739-H746 PolarHBondContact O-CE1 3.41Å; K739-H746 PolarHBondContact O-NE2 3.35Å; K739-H746 VanDerWaalsContact O-NE2 3.16Å; F740-H746 AromaticContact CD1-CD2 3.95Å; F740-H746 AromaticContact CD1-NE2 3.85Å; S744-H746 PolarHBondContact OG-CD2 2.93Å; S744-H746 VanDerWaalsContact OG-CD2 3.22Å; S744-H746 PolarHBondContact OG-NE2 2.89Å; H746-V748 HydrophobicContact CB-CG1 4.18Å |
| 747 | T | 91 | Very high | 84.5 | Confident | 80 Ų | 80 | 60 Ų | 60 | 49% | 0.491 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 121.8 | 167.4 | -34.9 | 0 | 0 | 0 | 0 | 107.6 | K699 | K699-T747 HydrophobicContact CG-CG2 4.37Å |
| 748 | V | 93.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 159 | -175.6 | -64.1 | 0 | 0 | 0 | 0 | 109.3 | V698 C700 I722 H746 L762 T763 A764 | V698-V748 HydrophobicContact CG2-CG2 3.87Å; V698-V748 PolarHBondContact N-O 2.82Å; V698-V748 PolarHBondContact O-N 2.75Å; C700-V748 HydrophobicContact CB-CG2 4.09Å; I722-V748 HydrophobicContact CD1-CG1 4.02Å; H746-V748 HydrophobicContact CB-CG1 4.18Å; V748-L762 HydrophobicContact CB-CB 4.45Å; V748-L762 HydrophobicContact CG2-CB 4.26Å; V748-L762 HydrophobicContact CG2-CD1 3.99Å; V748-L762 HydrophobicContact CG2-CD2 4.27Å; V748-L762 HydrophobicContact CG2-CG 4.4Å; V748-T763 WeakPolarHBondContact CA-O 3.48Å; V748-T763 WeakPolarHBondContact CB-O 3.48Å; V748-A764 HydrophobicContact CG1-CB 4.12Å |
| 749 | R | 93.5 | Very high | 84.8 | Confident | 20 Ų | 20 | 61.5 Ų | 61.5 | 8% | 0.075 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 137.9 | 178.3 | -159.8 | 177.1 | -87.4 | -170.1 | 0 | 109.5 | G695 S696 L697 L751 L762 T763 L768 V769 S771 Y805 | G695-R749 WeakPolarHBondContact O-CD 3.18Å; G695-R749 WeakPolarHBondContact O-CG 3.47Å; S696-R749 WeakPolarHBondContact O-CA 3.16Å; L697-R749 HydrophobicContact CD2-CB 4Å; L697-R749 HydrophobicContact CD2-CG 4.12Å; R749-L751 PolarHBondContact O-N 3.3Å; R749-L762 WeakPolarHBondContact O-CA 3.42Å; R749-T763 HydrophobicContact CB-CG2 3.86Å; R749-T763 PolarHBondContact N-O 3.19Å; R749-T763 VanDerWaalsContact N-O 3.09Å; R749-T763 PolarHBondContact O-N 2.87Å; R749-L768 PolarHBondContact NE-O 3.32Å; R749-L768 PolarHBondContact NH1-O 3.17Å; R749-V769 HydrophobicContact CB-CG2 4.19Å; R749-V769 PolarHBondContact NH2-O 3.47Å; R749-S771 PolarHBondContact NH2-O 2.82Å; R749-Y805 WeakPolarHBondContact CD-OH 3.33Å; R749-Y805 HydrophobicContact CG-CE1 3.97Å |
| 750 | V | 93.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 115.5 | 179.8 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | G695 S696 V698 L760 L762 Y805 | G695-V750 PolarHBondContact N-O 3.35Å; S696-V750 PolarHBondContact O-N 2.81Å; V698-V750 HydrophobicContact CG1-CG2 4.21Å; V698-V750 HydrophobicContact CG2-CG2 3.85Å; V750-L760 HydrophobicContact CG1-CD2 4.35Å; V750-L760 HydrophobicContact CG2-CD1 4.41Å; V750-L762 HydrophobicContact CB-CD2 4.37Å; V750-L762 HydrophobicContact CG2-CD2 3.94Å; V750-Y805 VanDerWaalsContact O-CD1 3.28Å; V750-Y805 WeakPolarHBondContact O-CD1 3.28Å |
| 751 | L | 92 | Very high | 85.2 | Confident | 9 Ų | 9 | 59 Ų | 59 | 5% | 0.047 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | -51.9 | 174.3 | -88.1 | 165 | 0 | 0 | 0 | 111.1 | H726 R749 L761 T763 Y791 Y805 N806 | H726-L751 HydrophobicContact CB-CD1 4.49Å; H726-L751 VanDerWaalsContact CD2-CD1 3.49Å; H726-L751 WeakPolarHBondContact CD2-CD1 3.39Å; H726-L751 WeakPolarHBondContact NE2-CD1 3.31Å; R749-L751 PolarHBondContact O-N 3.3Å; L751-L761 HydrophobicContact CB-CB 4.36Å; L751-L761 WeakPolarHBondContact CB-O 3.13Å; L751-L761 PolarHBondContact N-O 2.9Å; L751-T763 HydrophobicContact CD1-CG2 4.42Å; L751-T763 HydrophobicContact CD2-CG2 4.38Å; L751-T763 HydrophobicContact CG-CG2 3.97Å; L751-Y791 HydrophobicContact CD2-CE1 4.1Å; L751-Y805 HydrophobicContact CD2-CD1 4.27Å; L751-Y805 HydrophobicContact CD2-CE1 4.35Å; L751-Y805 CarbonylContact O-C 3.4Å; L751-Y805 WeakPolarHBondContact O-CA 3.3Å; L751-N806 PolarHBondContact O-N 2.96Å |
| 752 | A | 90 | Very high | 85.7 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 163.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L761 | A752-L761 HydrophobicContact CB-CB 4.41Å; A752-L761 HydrophobicContact CB-CD1 4.31Å; A752-L761 PolarHBondContact N-O 2.63Å; A752-L761 PolarHBondContact O-N 2.88Å |
| 753 | V | 85.7 | Confident | 86.2 | Confident | 36 Ų | 36 | 53.1 Ų | 53.1 | 22% | 0.218 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 123.4 | 174.6 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | L689 A692 L755 L760 | L689-V753 HydrophobicContact CD2-CG1 4.13Å; L689-V753 HydrophobicContact CG-CG1 3.83Å; A692-V753 HydrophobicContact CB-CG2 4.03Å; A692-V753 VanDerWaalsContact O-CG2 3.27Å; A692-V753 WeakPolarHBondContact O-CG2 3.34Å; V753-L755 HydrophobicContact CG1-CD2 3.87Å; V753-L755 HydrophobicContact CG1-CG 4.26Å; V753-L760 HydrophobicContact CB-CD2 4.35Å; V753-L760 HydrophobicContact CG1-CD2 4.14Å; V753-L760 HydrophobicContact CG2-CD2 3.85Å |
| 754 | D | 81.8 | Confident | 86.7 | Confident | 36 Ų | 36 | 51.4 Ų | 51.4 | 19% | 0.193 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 94.9 | 177.8 | 179.4 | -6.1 | 0 | 0 | 0 | 108.1 | A757 R758 R759 L761 | D754-A757 PolarHBondContact OD1-N 2.83Å; D754-A757 VanDerWaalsContact OD2-CB 3.29Å; D754-A757 WeakPolarHBondContact OD2-CB 3.1Å; D754-R758 WeakPolarHBondContact O-CA 3.39Å; D754-R758 PolarHBondContact O-N 2.79Å; D754-R759 HydrophobicContact CB-CG 4.11Å; D754-R759 WeakPolarHBondContact CB-O 3.37Å; D754-R759 PolarHBondContact N-O 2.82Å; D754-R759 PolarHBondContact O-N 2.85Å; D754-R759 IonicContact OD2-CZ 3.7Å; D754-R759 IonicContact OD2-NE 3.83Å; D754-R759 PolarHBondContact OD2-NE 3.42Å; D754-R759 IonicContact OD2-NH2 3.84Å; D754-L761 HydrophobicContact CB-CG 4.45Å |
| 755 | L | 71.7 | Confident | 87 | Confident | 101 Ų | 101 | 50 Ų | 50 | 53% | 0.529 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -33.1 | -175.5 | -67.9 | 175.4 | 0 | 0 | 0 | 112.5 | L689 E690 V753 R758 | L689-L755 HydrophobicContact CD2-CD2 4.44Å; E690-L755 HydrophobicContact CG-CD2 3.7Å; V753-L755 HydrophobicContact CG1-CD2 3.87Å; V753-L755 HydrophobicContact CG1-CG 4.26Å; L755-R758 WeakPolarHBondContact O-CG 3.43Å; L755-R758 PolarHBondContact O-N 2.87Å |
| 756 | E | 65.1 | Low | 87 | Confident | 192 Ų | 192 | 48.1 Ų | 48.1 | 90% | 0.897 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -49.7 | 177.5 | -77 | -175.5 | 162.9 | 0 | 0 | 111.1 | R758 | E756-R758 VanDerWaalsContact C-N 3.26Å; E756-R758 PolarHBondContact O-N 3.24Å |
| 757 | A | 70.6 | Confident | 87 | Confident | 52 Ų | 52 | 48 Ų | 48 | 43% | 0.43 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 2.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D754 R759 | D754-A757 PolarHBondContact OD1-N 2.83Å; D754-A757 VanDerWaalsContact OD2-CB 3.29Å; D754-A757 WeakPolarHBondContact OD2-CB 3.1Å; A757-R759 VanDerWaalsContact C-N 3.34Å; A757-R759 HydrophobicContact CB-CG 3.99Å; A757-R759 PolarHBondContact O-N 3.03Å |
| 758 | R | 75.7 | Confident | 87.1 | Confident | 198 Ų | 198 | 44.3 Ų | 44.3 | 75% | 0.747 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 48.6 | -177.9 | -67 | -173.3 | 168.6 | 179.6 | -0.5 | 114 | L689 D754 L755 E756 | L689-R758 HydrophobicContact CD2-CB 4.33Å; D754-R758 WeakPolarHBondContact O-CA 3.39Å; D754-R758 PolarHBondContact O-N 2.79Å; L755-R758 WeakPolarHBondContact O-CG 3.43Å; L755-R758 PolarHBondContact O-N 2.87Å; E756-R758 VanDerWaalsContact C-N 3.26Å; E756-R758 PolarHBondContact O-N 3.24Å |
| 759 | R | 86 | Confident | 87.1 | Confident | 71 Ų | 71 | 44.8 Ų | 44.8 | 27% | 0.268 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 164.1 | -178.9 | 66 | -174.9 | 176.2 | 175.7 | -3.5 | 112.8 | N719 D754 A757 | N719-R759 CarbonylContact O-C 3.52Å; N719-R759 VanDerWaalsContact O-CA 3.26Å; N719-R759 WeakPolarHBondContact O-CA 3.38Å; N719-R759 WeakPolarHBondContact O-CB 3.34Å; D754-R759 HydrophobicContact CB-CG 4.11Å; D754-R759 WeakPolarHBondContact CB-O 3.37Å; D754-R759 PolarHBondContact N-O 2.82Å; D754-R759 PolarHBondContact O-N 2.85Å; D754-R759 IonicContact OD2-CZ 3.7Å; D754-R759 IonicContact OD2-NE 3.83Å; D754-R759 PolarHBondContact OD2-NE 3.42Å; D754-R759 IonicContact OD2-NH2 3.84Å; A757-R759 VanDerWaalsContact C-N 3.34Å; A757-R759 HydrophobicContact CB-CG 3.99Å; A757-R759 PolarHBondContact O-N 3.03Å |
| 760 | L | 88.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 134.9 | 172.8 | -60.9 | 178.3 | 0 | 0 | 0 | 111.2 | F686 L689 A692 L714 N719 G720 V721 V750 V753 L762 | F686-L760 HydrophobicContact CE2-CD1 4.44Å; F686-L760 HydrophobicContact CZ-CD1 3.91Å; L689-L760 HydrophobicContact CD1-CD1 4.49Å; L689-L760 HydrophobicContact CD1-CD2 3.52Å; L689-L760 HydrophobicContact CD1-CG 3.67Å; L689-L760 HydrophobicContact CG-CD2 4.29Å; A692-L760 HydrophobicContact CB-CD1 4.36Å; A692-L760 HydrophobicContact CB-CD2 3.63Å; L714-L760 HydrophobicContact CD1-CD1 4.11Å; L714-L760 HydrophobicContact CD2-CD1 3.95Å; N719-L760 PolarHBondContact O-N 2.82Å; G720-L760 CarbonylContact C-O 3.52Å; G720-L760 WeakPolarHBondContact CA-O 3.44Å; V721-L760 PolarHBondContact N-O 3.41Å; V750-L760 HydrophobicContact CG1-CD2 4.35Å; V750-L760 HydrophobicContact CG2-CD1 4.41Å; V753-L760 HydrophobicContact CB-CD2 4.35Å; V753-L760 HydrophobicContact CG1-CD2 4.14Å; V753-L760 HydrophobicContact CG2-CD2 3.85Å; L760-L762 HydrophobicContact CB-CD2 3.78Å; L760-L762 HydrophobicContact CB-CG 4.16Å; L760-L762 HydrophobicContact CD1-CD2 4.48Å |
| 761 | L | 91.8 | Very high | 86.7 | Confident | 22 Ų | 22 | 51.2 Ų | 51.2 | 12% | 0.115 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 129 | 165.7 | -64.6 | 175 | 0 | 0 | 0 | 108.3 | V721 L751 A752 D754 | V721-L761 HydrophobicContact CG1-CD2 4.25Å; L751-L761 HydrophobicContact CB-CB 4.36Å; L751-L761 WeakPolarHBondContact CB-O 3.13Å; L751-L761 PolarHBondContact N-O 2.9Å; A752-L761 HydrophobicContact CB-CB 4.41Å; A752-L761 HydrophobicContact CB-CD1 4.31Å; A752-L761 PolarHBondContact N-O 2.63Å; A752-L761 PolarHBondContact O-N 2.88Å; D754-L761 HydrophobicContact CB-CG 4.45Å |
| 762 | L | 94.4 | Very high | 86.4 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 150.5 | -167.1 | -56 | 170.5 | 0 | 0 | 0 | 111.1 | V698 V712 L714 V721 I722 V748 R749 V750 L760 | V698-L762 HydrophobicContact CG2-CD2 4.24Å; V712-L762 HydrophobicContact CG2-CD1 3.33Å; L714-L762 HydrophobicContact CD1-CD1 4.18Å; L714-L762 HydrophobicContact CD2-CD1 4.38Å; L714-L762 HydrophobicContact CD2-CD2 4.46Å; V721-L762 PolarHBondContact O-N 3.09Å; I722-L762 HydrophobicContact CG1-CB 3.79Å; V748-L762 HydrophobicContact CB-CB 4.45Å; V748-L762 HydrophobicContact CG2-CB 4.26Å; V748-L762 HydrophobicContact CG2-CD1 3.99Å; V748-L762 HydrophobicContact CG2-CD2 4.27Å; V748-L762 HydrophobicContact CG2-CG 4.4Å; R749-L762 WeakPolarHBondContact O-CA 3.42Å; V750-L762 HydrophobicContact CB-CD2 4.37Å; V750-L762 HydrophobicContact CG2-CD2 3.94Å; L760-L762 HydrophobicContact CB-CD2 3.78Å; L760-L762 HydrophobicContact CB-CG 4.16Å; L760-L762 HydrophobicContact CD1-CD2 4.48Å |
| 763 | T | 94.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 137.4 | 171.9 | -176.7 | 0 | 0 | 0 | 0 | 112.3 | V748 R749 L751 K765 L768 V769 | V748-T763 WeakPolarHBondContact CA-O 3.48Å; V748-T763 WeakPolarHBondContact CB-O 3.48Å; R749-T763 HydrophobicContact CB-CG2 3.86Å; R749-T763 PolarHBondContact N-O 3.19Å; R749-T763 VanDerWaalsContact N-O 3.09Å; R749-T763 PolarHBondContact O-N 2.87Å; L751-T763 HydrophobicContact CD1-CG2 4.42Å; L751-T763 HydrophobicContact CD2-CG2 4.38Å; L751-T763 HydrophobicContact CG-CG2 3.97Å; T763-K765 PolarHBondContact OG1-N 2.87Å; T763-L768 HydrophobicContact CG2-CB 4.09Å; T763-L768 HydrophobicContact CG2-CD1 4.33Å; T763-V769 HydrophobicContact CG2-CG2 4.48Å; T763-V769 WeakPolarHBondContact O-CG2 3.5Å |
| 764 | A | 92.6 | Very high | 86.2 | Confident | 11 Ų | 11 | 64.2 Ų | 64.2 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | trans | -116.7 | 13.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I722 H726 F740 V748 K766 | I722-A764 HydrophobicContact CD1-CB 4.3Å; I722-A764 HydrophobicContact CG2-CB 4.18Å; H726-A764 CarbonylContact O-C 3.44Å; H726-A764 WeakPolarHBondContact O-CA 3.16Å; H726-A764 PolarHBondContact O-N 3.49Å; F740-A764 HydrophobicContact CE1-CB 4.16Å; F740-A764 HydrophobicContact CZ-CB 3.88Å; V748-A764 HydrophobicContact CG1-CB 4.12Å; A764-K766 PolarHBondContact O-N 3.04Å | ||
| 765 | K | 93.6 | Very high | 86.5 | Confident | 3 Ų | 3 | 64.5 Ų | 64.5 | 1% | 0.013 | 32% | 0.32 | C | S | . | . | trans | -63.3 | 128.6 | 169.5 | -75.5 | -160.1 | -178.8 | -78.9 | 0 | 109.7 | I725 H726 S728 D729 T763 S767 L768 V769 G833 V835 | I725-K765 WeakPolarHBondContact O-CE 3.38Å; I725-K765 PolarHBondContact O-NZ 2.92Å; H726-K765 PolarHBondContact O-N 3.34Å; S728-K765 PolarHBondContact O-NZ 2.57Å; D729-K765 PolarHBondContact O-NZ 3.33Å; D729-K765 WeakPolarHBondContact OD1-CB 3.35Å; T763-K765 PolarHBondContact OG1-N 2.87Å; K765-S767 VanDerWaalsContact C-N 3.29Å; K765-S767 PolarHBondContact O-N 2.93Å; K765-L768 HydrophobicContact CB-CB 4.22Å; K765-L768 HydrophobicContact CB-CD1 4.37Å; K765-L768 HydrophobicContact CB-CG 4.35Å; K765-L768 HydrophobicContact CD-CD1 4.21Å; K765-L768 PolarHBondContact O-N 3.33Å; K765-V769 WeakPolarHBondContact O-CB 3.22Å; K765-V769 VanDerWaalsContact O-CG2 3.23Å; K765-V769 WeakPolarHBondContact O-CG2 3.47Å; K765-V769 PolarHBondContact O-N 2.94Å; K765-G833 WeakPolarHBondContact CE-O 3.43Å; K765-G833 PolarHBondContact NZ-O 2.97Å; K765-V835 HydrophobicContact CD-CG2 3.45Å; K765-V835 VanDerWaalsContact CD-CG2 3.45Å | ||
| 766 | K | 90.4 | Very high | 87.4 | Confident | 135 Ų | 135 | 60 Ų | 60 | 59% | 0.587 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.4 | -38.4 | -178.6 | -68.8 | -177.7 | 178.6 | 180 | 0 | 110.1 | D729 A764 L768 V769 H770 | D729-K766 WeakPolarHBondContact OD2-CA 3.23Å; D729-K766 VanDerWaalsContact OD2-CB 3.31Å; D729-K766 WeakPolarHBondContact OD2-CB 3.38Å; D729-K766 PolarHBondContact OD2-N 3.18Å; A764-K766 PolarHBondContact O-N 3.04Å; K766-L768 PolarHBondContact O-N 3.38Å; K766-V769 PolarHBondContact O-N 2.74Å; K766-H770 VanDerWaalsContact O-CB 3.27Å; K766-H770 WeakPolarHBondContact O-CB 3.34Å; K766-H770 PolarHBondContact O-CD2 2.79Å; K766-H770 PolarHBondContact O-N 3.42Å |
| 767 | S | 91.8 | Very high | 88.4 | Confident | 40 Ų | 40 | 53 Ų | 53 | 28% | 0.28 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -55.9 | -48.3 | 175.7 | 59.6 | 0 | 0 | 0 | 0 | 112.4 | D729 K765 S771 V835 | D729-S767 WeakPolarHBondContact OD1-CB 3.41Å; D729-S767 PolarHBondContact OD1-N 3.47Å; D729-S767 PolarHBondContact OD1-OG 3.19Å; D729-S767 PolarHBondContact OD2-N 2.86Å; K765-S767 VanDerWaalsContact C-N 3.29Å; K765-S767 PolarHBondContact O-N 2.93Å; S767-S771 WeakPolarHBondContact O-CA 3.31Å; S767-S771 VanDerWaalsContact O-CB 3.22Å; S767-S771 WeakPolarHBondContact O-CB 3.22Å; S767-S771 PolarHBondContact O-N 3.3Å; S767-V835 WeakPolarHBondContact OG-CG2 3.48Å |
| 768 | L | 93.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -77.3 | -35 | -179.4 | -67.9 | 177.2 | 0 | 0 | 0 | 113.5 | R749 T763 K765 K766 D789 Y791 Y805 V835 | R749-L768 PolarHBondContact NE-O 3.32Å; R749-L768 PolarHBondContact NH1-O 3.17Å; T763-L768 HydrophobicContact CG2-CB 4.09Å; T763-L768 HydrophobicContact CG2-CD1 4.33Å; K765-L768 HydrophobicContact CB-CB 4.22Å; K765-L768 HydrophobicContact CB-CD1 4.37Å; K765-L768 HydrophobicContact CB-CG 4.35Å; K765-L768 HydrophobicContact CD-CD1 4.21Å; K765-L768 PolarHBondContact O-N 3.33Å; K766-L768 PolarHBondContact O-N 3.38Å; L768-D789 HydrophobicContact CD2-CB 4.24Å; L768-Y791 HydrophobicContact CD1-CD1 4.36Å; L768-Y805 PolarHBondContact O-OH 3.05Å; L768-V835 HydrophobicContact CD1-CG2 4.18Å; L768-V835 HydrophobicContact CD2-CG1 3.96Å; L768-V835 HydrophobicContact CD2-CG2 4.36Å; L768-V835 HydrophobicContact CG-CG1 4.33Å; L768-V835 HydrophobicContact CG-CG2 3.97Å |
| 769 | V | 91.7 | Very high | 89.2 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -73.6 | -39.7 | -179.4 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | L697 R749 T763 K765 K766 | L697-V769 HydrophobicContact CD2-CG1 3.91Å; R749-V769 HydrophobicContact CB-CG2 4.19Å; R749-V769 PolarHBondContact NH2-O 3.47Å; T763-V769 HydrophobicContact CG2-CG2 4.48Å; T763-V769 WeakPolarHBondContact O-CG2 3.5Å; K765-V769 WeakPolarHBondContact O-CB 3.22Å; K765-V769 VanDerWaalsContact O-CG2 3.23Å; K765-V769 WeakPolarHBondContact O-CG2 3.47Å; K765-V769 PolarHBondContact O-N 2.94Å; K766-V769 PolarHBondContact O-N 2.74Å |
| 770 | H | 89 | Confident | 89.1 | Confident | 140 Ų | 140 | 45.9 Ų | 45.9 | 65% | 0.648 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -95.7 | 2.8 | 179.8 | -60.1 | -63 | 0 | 0 | 0 | 113.7 | K766 E772 | K766-H770 VanDerWaalsContact O-CB 3.27Å; K766-H770 WeakPolarHBondContact O-CB 3.34Å; K766-H770 PolarHBondContact O-CD2 2.79Å; K766-H770 PolarHBondContact O-N 3.42Å; H770-E772 PolarHBondContact O-N 3.35Å |
| 771 | S | 90.4 | Very high | 88.7 | Confident | 16 Ų | 16 | 50.9 Ų | 50.9 | 11% | 0.112 | 27% | 0.271 | C | S | . | . | trans | -56.3 | 124.2 | 172.8 | 168.5 | 0 | 0 | 0 | 0 | 110.6 | R749 S767 L773 D789 | R749-S771 PolarHBondContact NH2-O 2.82Å; S767-S771 WeakPolarHBondContact O-CA 3.31Å; S767-S771 VanDerWaalsContact O-CB 3.22Å; S767-S771 WeakPolarHBondContact O-CB 3.22Å; S767-S771 PolarHBondContact O-N 3.3Å; S771-L773 VanDerWaalsContact C-N 3.31Å; S771-L773 WeakPolarHBondContact OG-CB 3.44Å; S771-L773 PolarHBondContact OG-N 2.92Å; S771-L773 VanDerWaalsContact OG-N 3.12Å; S771-L773 PolarHBondContact OG-O 3.44Å; S771-D789 PolarHBondContact OG-OD2 3.19Å | ||
| 772 | E | 84.9 | Confident | 88.1 | Confident | 197 Ų | 197 | 58.3 Ų | 58.3 | 92% | 0.921 | 30% | 0.302 | S | S | * | . | trans | -78.1 | -17.5 | 169.5 | -61.8 | -175.5 | 174.3 | 0 | 0 | 112 | H770 | H770-E772 PolarHBondContact O-N 3.35Š| ||
| 773 | L | 88.6 | Confident | 87.7 | Confident | 46 Ų | 46 | 58.9 Ų | 58.9 | 24% | 0.241 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -70.4 | 142.6 | 173.5 | -63.7 | 177 | 0 | 0 | 0 | 111 | S771 T787 | S771-L773 VanDerWaalsContact C-N 3.31Å; S771-L773 WeakPolarHBondContact OG-CB 3.44Å; S771-L773 PolarHBondContact OG-N 2.92Å; S771-L773 VanDerWaalsContact OG-N 3.12Å; S771-L773 PolarHBondContact OG-O 3.44Å; L773-T787 HydrophobicContact CD1-CG2 4.13Å |
| 774 | P | 84.6 | Confident | 87.2 | Confident | 75 Ų | 75 | 62.5 Ų | 62.5 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 142.2 | 178.5 | 25 | -32.2 | 0 | 0 | 0 | 111.2 | L776 F788 | P774-L776 PolarHBondContact O-N 3.39Å; P774-F788 HydrophobicContact CG-CE1 4.08Å; P774-F788 VanDerWaalsContact O-CD1 3.23Å; P774-F788 WeakPolarHBondContact O-CD1 3.4Å |
| 775 | P | 87.9 | Confident | 86.8 | Confident | 43 Ų | 43 | 64.5 Ų | 64.5 | 28% | 0.279 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 126.8 | 178.2 | 28.2 | -32.6 | 0 | 0 | 0 | 110.9 | V777 Y805 | P775-V777 PolarHBondContact O-N 3.45Å; P775-Y805 HydrophobicContact CB-CD1 4.32Å; P775-Y805 HydrophobicContact CB-CD2 3.46Å; P775-Y805 VanDerWaalsContact CB-CD2 3.46Å; P775-Y805 HydrophobicContact CB-CE1 4.42Å; P775-Y805 HydrophobicContact CB-CE2 3.59Å; P775-Y805 HydrophobicContact CB-CG 3.87Å |
| 776 | L | 89.4 | Confident | 86.6 | Confident | 6 Ų | 6 | 68.4 Ų | 68.4 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | trans | -77.8 | 105 | 174.1 | -177.2 | 60 | 0 | 0 | 0 | 110.4 | P774 E778 I783 F788 F804 Y805 L808 I850 | P774-L776 PolarHBondContact O-N 3.39Å; L776-E778 WeakPolarHBondContact CD1-O 3.49Å; L776-I783 HydrophobicContact CD1-CB 4.34Å; L776-I783 HydrophobicContact CD1-CD1 3.65Å; L776-I783 HydrophobicContact CD1-CG2 3.91Å; L776-F788 HydrophobicContact CB-CB 4.39Å; L776-F788 HydrophobicContact CB-CD1 3.66Å; L776-F788 HydrophobicContact CB-CD2 4.44Å; L776-F788 HydrophobicContact CB-CE1 3.96Å; L776-F788 HydrophobicContact CB-CG 3.91Å; L776-F788 HydrophobicContact CB-CZ 4.48Å; L776-F788 HydrophobicContact CD1-CE1 4.24Å; L776-F788 HydrophobicContact CD1-CE2 4.15Å; L776-F788 HydrophobicContact CD1-CZ 3.99Å; L776-F788 HydrophobicContact CD2-CD2 4.06Å; L776-F788 HydrophobicContact CD2-CE2 4.39Å; L776-F788 HydrophobicContact CD2-CG 4.21Å; L776-F804 HydrophobicContact CB-CB 4.08Å; L776-F804 HydrophobicContact CB-CD1 4.04Å; L776-F804 HydrophobicContact CB-CG 4.11Å; L776-F804 HydrophobicContact CD2-CB 4.45Å; L776-F804 HydrophobicContact CD2-CD1 3.97Å; L776-F804 HydrophobicContact CD2-CD2 3.82Å; L776-F804 HydrophobicContact CD2-CE1 4.08Å; L776-F804 HydrophobicContact CD2-CE2 3.95Å; L776-F804 HydrophobicContact CD2-CG 3.82Å; L776-F804 HydrophobicContact CD2-CZ 4.06Å; L776-F804 HydrophobicContact CG-CB 4.41Å; L776-F804 HydrophobicContact CG-CG 4.29Å; L776-F804 WeakPolarHBondContact O-CB 3.38Å; L776-Y805 WeakPolarHBondContact O-CB 3.49Å; L776-Y805 PolarHBondContact O-N 3.21Å; L776-Y805 VanDerWaalsContact O-N 3.16Å; L776-L808 HydrophobicContact CD1-CD2 4.18Å; L776-L808 HydrophobicContact CD2-CD2 4.02Å; L776-L808 HydrophobicContact CG-CD2 3.71Å; L776-I850 HydrophobicContact CD2-CD1 4.05Å | ||
| 777 | V | 87.2 | Confident | 86.6 | Confident | 44 Ų | 44 | 64.3 Ų | 64.3 | 27% | 0.267 | 35% | 0.35 | S | S | . | . | trans | -113.4 | -19.5 | -175 | -86.9 | 0 | 0 | 0 | 0 | 114.7 | A694 P775 Y805 N806 | A694-V777 HydrophobicContact CB-CG1 3.6Å; A694-V777 WeakPolarHBondContact O-CG1 3.2Å; P775-V777 PolarHBondContact O-N 3.45Å; V777-Y805 HydrophobicContact CG1-CG 4.48Å; V777-N806 HydrophobicContact CB-CB 4.41Å; V777-N806 HydrophobicContact CG1-CB 4.29Å; V777-N806 WeakPolarHBondContact O-CB 3.33Å; V777-N806 PolarHBondContact O-ND2 3.39Å | ||
| 778 | E | 84.2 | Confident | 86.7 | Confident | 128 Ų | 128 | 62.7 Ų | 62.7 | 60% | 0.598 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -140 | 156.1 | -177.7 | 65.3 | 170 | -160 | 0 | 0 | 111.7 | L776 | L776-E778 WeakPolarHBondContact CD1-O 3.49Š|
| 779 | C | 79.3 | Confident | 86.8 | Confident | 21 Ų | 21 | 63.4 Ų | 63.4 | 14% | 0.142 | 34% | 0.342 | C | S | . | . | trans | -100 | 105.1 | -179.7 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | L808 V843 N848 | C779-L808 HydrophobicContact CB-CD1 4.14Å; C779-L808 HydrophobicContact CB-CD2 4.5Å; C779-V843 WeakPolarHBondContact SG-CG1 3.26Å; C779-N848 WeakPolarHBondContact CB-OD1 3.28Å; C779-N848 PolarHBondContact SG-OD1 3.11Å | ||
| 780 | S | 83.5 | Confident | 86.8 | Confident | 24 Ų | 24 | 63 Ų | 63 | 17% | 0.168 | 34% | 0.339 | C | S | . | . | trans | -132.6 | 170 | 179.4 | 78.5 | 0 | 0 | 0 | 0 | 111.7 | K782 I783 | S780-K782 PolarHBondContact O-N 2.49Å; S780-K782 PolarHBondContact OG-N 3Å; S780-I783 WeakPolarHBondContact O-CG1 3.3Å | ||
| 781 | V | 80.1 | Confident | 87 | Confident | 105 Ų | 105 | 56.9 Ų | 56.9 | 64% | 0.636 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -75.1 | -18.4 | 176 | -162.6 | 0 | 0 | 0 | 0 | 111.2 | I783 I784 V845 | V781-I783 VanDerWaalsContact C-N 3.32Å; V781-I783 PolarHBondContact O-N 3.4Å; V781-I784 HydrophobicContact CG1-CD1 3.78Å; V781-I784 WeakPolarHBondContact O-CG1 3.45Å; V781-V845 HydrophobicContact CG2-CG2 4.02Å |
| 782 | K | 80 | Confident | 87.1 | Confident | 177 Ų | 177 | 56.1 Ų | 56.1 | 77% | 0.77 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -74.3 | -19.2 | -175.4 | -62.9 | -179.7 | -180 | 176.6 | 0 | 114.1 | S780 Q786 | S780-K782 PolarHBondContact O-N 2.49Å; S780-K782 PolarHBondContact OG-N 3Å; K782-Q786 PolarHBondContact O-NE2 3.28Å |
| 783 | I | 85.1 | Confident | 87.4 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 7% | 0.072 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -85.6 | -8.9 | -177.4 | 56.6 | 167.6 | 0 | 0 | 0 | 113 | L776 S780 V781 G785 Q786 F788 V840 V843 I850 | L776-I783 HydrophobicContact CD1-CB 4.34Å; L776-I783 HydrophobicContact CD1-CD1 3.65Å; L776-I783 HydrophobicContact CD1-CG2 3.91Å; S780-I783 WeakPolarHBondContact O-CG1 3.3Å; V781-I783 VanDerWaalsContact C-N 3.32Å; V781-I783 PolarHBondContact O-N 3.4Å; I783-G785 PolarHBondContact O-N 2.89Å; I783-Q786 WeakPolarHBondContact O-CB 3.27Å; I783-Q786 PolarHBondContact O-N 3.22Å; I783-Q786 VanDerWaalsContact O-N 3.08Å; I783-F788 HydrophobicContact CB-CE2 4.03Å; I783-F788 HydrophobicContact CB-CZ 4.15Å; I783-F788 HydrophobicContact CG2-CE2 4.39Å; I783-F788 HydrophobicContact CG2-CZ 4.02Å; I783-V840 HydrophobicContact CG1-CG1 4.45Å; I783-V840 WeakPolarHBondContact O-CB 3.31Å; I783-V843 HydrophobicContact CD1-CG2 3.89Å; I783-V843 HydrophobicContact CG1-CG2 3.94Å; I783-I850 HydrophobicContact CD1-CD1 4Å |
| 784 | I | 83.6 | Confident | 87.4 | Confident | 75 Ų | 75 | 52.4 Ų | 52.4 | 39% | 0.385 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 131.6 | 178.4 | -60.5 | 171.7 | 0 | 0 | 0 | 109.3 | V781 Q786 V840 V843 | V781-I784 HydrophobicContact CG1-CD1 3.78Å; V781-I784 WeakPolarHBondContact O-CG1 3.45Å; I784-Q786 VanDerWaalsContact C-N 3.28Å; I784-Q786 PolarHBondContact O-N 2.74Å; I784-V840 HydrophobicContact CG1-CG1 4.43Å; I784-V843 HydrophobicContact CD1-CB 4.34Å; I784-V843 HydrophobicContact CD1-CG2 4.46Å; I784-V843 HydrophobicContact CG1-CB 4.19Å; I784-V843 HydrophobicContact CG1-CG2 3.77Å |
| 785 | G | 84.3 | Confident | 87.5 | Confident | 53 Ų | 53 | 50.3 Ų | 50.3 | 55% | 0.546 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | -9.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | I783 V840 | I783-G785 PolarHBondContact O-N 2.89Å; G785-V840 PolarHBondContact N-O 2.86Å |
| 786 | Q | 89.3 | Confident | 87.2 | Confident | 86 Ų | 86 | 52.4 Ų | 52.4 | 40% | 0.402 | 28% | 0.276 | S | S | . | . | trans | -82.8 | 152.2 | 178.2 | -61 | -174.3 | 16.3 | 0 | 0 | 111.7 | K782 I783 I784 F788 V839 V840 | K782-Q786 PolarHBondContact O-NE2 3.28Å; I783-Q786 WeakPolarHBondContact O-CB 3.27Å; I783-Q786 PolarHBondContact O-N 3.22Å; I783-Q786 VanDerWaalsContact O-N 3.08Å; I784-Q786 VanDerWaalsContact C-N 3.28Å; I784-Q786 PolarHBondContact O-N 2.74Å; Q786-F788 HydrophobicContact CB-CD2 4.4Å; Q786-F788 HydrophobicContact CB-CE2 3.55Å; Q786-F788 HydrophobicContact CB-CZ 3.8Å; Q786-V839 WeakPolarHBondContact O-CA 3.46Å; Q786-V840 PolarHBondContact O-N 2.87Å | ||
| 787 | T | 91.4 | Very high | 86.5 | Confident | 49 Ų | 49 | 58.4 Ų | 58.4 | 30% | 0.301 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 134.3 | 179.8 | -54.5 | 0 | 0 | 0 | 0 | 110.5 | L773 R837 V838 V839 | L773-T787 HydrophobicContact CD1-CG2 4.13Å; T787-R837 HydrophobicContact CG2-CG 3.34Å; T787-V838 WeakPolarHBondContact CA-O 3.19Å; T787-V839 HydrophobicContact CG2-CG2 4.44Å |
| 788 | F | 93.9 | Very high | 86.1 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 2% | 0.022 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 149.3 | -180 | -62.7 | -79.4 | 0 | 0 | 0 | 111.6 | P774 L776 I783 Q786 F804 V838 V840 | P774-F788 HydrophobicContact CG-CE1 4.08Å; P774-F788 VanDerWaalsContact O-CD1 3.23Å; P774-F788 WeakPolarHBondContact O-CD1 3.4Å; L776-F788 HydrophobicContact CB-CB 4.39Å; L776-F788 HydrophobicContact CB-CD1 3.66Å; L776-F788 HydrophobicContact CB-CD2 4.44Å; L776-F788 HydrophobicContact CB-CE1 3.96Å; L776-F788 HydrophobicContact CB-CG 3.91Å; L776-F788 HydrophobicContact CB-CZ 4.48Å; L776-F788 HydrophobicContact CD1-CE1 4.24Å; L776-F788 HydrophobicContact CD1-CE2 4.15Å; L776-F788 HydrophobicContact CD1-CZ 3.99Å; L776-F788 HydrophobicContact CD2-CD2 4.06Å; L776-F788 HydrophobicContact CD2-CE2 4.39Å; L776-F788 HydrophobicContact CD2-CG 4.21Å; I783-F788 HydrophobicContact CB-CE2 4.03Å; I783-F788 HydrophobicContact CB-CZ 4.15Å; I783-F788 HydrophobicContact CG2-CE2 4.39Å; I783-F788 HydrophobicContact CG2-CZ 4.02Å; Q786-F788 HydrophobicContact CB-CD2 4.4Å; Q786-F788 HydrophobicContact CB-CE2 3.55Å; Q786-F788 HydrophobicContact CB-CZ 3.8Å; F788-F804 HydrophobicContact CB-CD1 4.26Å; F788-F804 HydrophobicContact CB-CE1 3.8Å; F788-V838 PolarHBondContact N-O 2.87Å; F788-V838 PolarHBondContact O-N 2.96Å; F788-V840 HydrophobicContact CD2-CG2 3.75Å; F788-V840 HydrophobicContact CE2-CG2 3.86Å |
| 789 | D | 94 | Very high | 86.1 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 10% | 0.096 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 112.1 | 170 | -68.2 | -22.5 | 0 | 0 | 0 | 108.9 | L768 S771 V835 R837 | L768-D789 HydrophobicContact CD2-CB 4.24Å; S771-D789 PolarHBondContact OG-OD2 3.19Å; D789-V835 HydrophobicContact CB-CG1 4.11Å; D789-R837 WeakPolarHBondContact OD1-CB 3.49Å; D789-R837 WeakPolarHBondContact OD1-CG 3.36Å; D789-R837 IonicContact OD1-CZ 3.07Å; D789-R837 IonicContact OD1-NE 3.25Å; D789-R837 PolarHBondContact OD1-NE 3.24Å; D789-R837 IonicContact OD1-NH2 3.95Å; D789-R837 PolarHBondContact OD1-NH2 3.46Å; D789-R837 IonicContact OD2-CZ 3.81Å; D789-R837 IonicContact OD2-NE 2.65Å; D789-R837 IonicContact OD2-NH2 3.94Å; D789-R837 PolarHBondContact OD2-NH2 3.16Å |
| 790 | G | 92.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 172.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | A803 V835 I836 | G790-A803 CarbonylContact C-O 3.44Å; G790-A803 WeakPolarHBondContact CA-O 3.41Å; G790-V835 CarbonylContact O-C 3.59Å; G790-V835 VanDerWaalsContact O-CA 3.24Å; G790-V835 WeakPolarHBondContact O-CA 3.49Å; G790-V835 WeakPolarHBondContact O-CG1 3.42Å; G790-I836 PolarHBondContact N-O 3.32Å; G790-I836 PolarHBondContact O-N 3.46Å; G790-I836 VanDerWaalsContact O-O 3.12Å |
| 791 | Y | 93.6 | Very high | 87.1 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 5% | 0.051 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 145.1 | 176.5 | 65.1 | -82.4 | 0 | 0 | 0 | 112.4 | H726 L751 L768 T793 V802 A803 E834 | H726-Y791 AromaticContact CE1-CD2 3.83Å; H726-Y791 AromaticContact CE1-CE1 3.83Å; H726-Y791 AromaticContact CE1-CE2 3.53Å; H726-Y791 AromaticContact CE1-CZ 3.56Å; H726-Y791 AromaticContact NE2-CE2 3.85Å; H726-Y791 AromaticContact NE2-CZ 3.87Å; L751-Y791 HydrophobicContact CD2-CE1 4.1Å; L768-Y791 HydrophobicContact CD1-CD1 4.36Å; Y791-T793 HydrophobicContact CD2-CG2 3.99Å; Y791-T793 HydrophobicContact CE2-CG2 3.46Å; Y791-T793 VanDerWaalsContact CE2-CG2 3.46Å; Y791-T793 PolarHBondContact O-N 3.34Å; Y791-V802 CarbonylContact O-C 3.39Å; Y791-V802 WeakPolarHBondContact O-CA 3.25Å; Y791-A803 HydrophobicContact CD1-CB 4.47Å; Y791-A803 WeakPolarHBondContact CD1-O 3.5Å; Y791-A803 HydrophobicContact CE1-CB 3.86Å; Y791-A803 WeakPolarHBondContact CE1-O 3.37Å; Y791-A803 HydrophobicContact CE2-CB 3.95Å; Y791-A803 PolarHBondContact N-O 3.44Å; Y791-A803 PolarHBondContact O-N 3.41Å; Y791-E834 CarbonylContact C-O 3.57Å; Y791-E834 WeakPolarHBondContact CA-O 3.44Å; Y791-E834 WeakPolarHBondContact CB-O 3.24Å |
| 792 | V | 92.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 125.4 | 179.4 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | F795 I800 Y831 G833 E834 I836 | V792-F795 HydrophobicContact CG1-CE1 3.92Å; V792-F795 HydrophobicContact CG1-CE2 4.3Å; V792-F795 HydrophobicContact CG1-CZ 3.76Å; V792-I800 HydrophobicContact CB-CG2 4.38Å; V792-I800 HydrophobicContact CG1-CG2 3.73Å; V792-I800 HydrophobicContact CG2-CG2 3.98Å; V792-Y831 WeakPolarHBondContact CB-O 3.3Å; V792-G833 WeakPolarHBondContact O-CA 3.35Å; V792-G833 PolarHBondContact O-N 3.3Å; V792-E834 HydrophobicContact CG2-CB 4.36Å; V792-E834 PolarHBondContact N-O 3.1Å; V792-I836 HydrophobicContact CG2-CD1 3.21Å; V792-I836 HydrophobicContact CG2-CG1 3.88Å |
| 793 | T | 89.8 | Confident | 88.3 | Confident | 45 Ų | 45 | 40 Ų | 40 | 28% | 0.276 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -41.1 | 175.2 | 41.7 | 0 | 0 | 0 | 0 | 112.8 | Y791 L801 A803 | Y791-T793 HydrophobicContact CD2-CG2 3.99Å; Y791-T793 HydrophobicContact CE2-CG2 3.46Å; Y791-T793 VanDerWaalsContact CE2-CG2 3.46Å; Y791-T793 PolarHBondContact O-N 3.34Å; T793-L801 PolarHBondContact N-O 2.88Å; T793-L801 PolarHBondContact OG1-O 3.25Å; T793-A803 HydrophobicContact CG2-CB 3.36Å |
| 794 | K | 88.9 | Confident | 88.7 | Confident | 119 Ų | 119 | 39.5 Ų | 39.5 | 52% | 0.517 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 146.9 | -176.1 | -158.1 | 170.7 | -177.9 | 178.3 | 0 | 111.5 | F796 L801 | K794-F796 HydrophobicContact CB-CE2 4.17Å; K794-F796 HydrophobicContact CD-CE1 4.48Å; K794-F796 HydrophobicContact CD-CE2 4.28Å; K794-F796 HydrophobicContact CD-CZ 3.94Å; K794-F796 HydrophobicContact CG-CE2 4.36Å; K794-F796 HydrophobicContact CG-CZ 4.47Å; K794-L801 HydrophobicContact CB-CB 4.4Å; K794-L801 WeakPolarHBondContact O-CB 2.88Å; K794-L801 PolarHBondContact O-N 3.29Å |
| 795 | F | 86.5 | Confident | 89.1 | Confident | 32 Ų | 32 | 36.2 Ų | 36.2 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 138.5 | 170.5 | -58.6 | -74.7 | 0 | 0 | 0 | 110 | V792 I800 P826 E827 Y830 I832 | V792-F795 HydrophobicContact CG1-CE1 3.92Å; V792-F795 HydrophobicContact CG1-CE2 4.3Å; V792-F795 HydrophobicContact CG1-CZ 3.76Å; F795-I800 HydrophobicContact CD1-CG1 4.07Å; F795-I800 HydrophobicContact CD1-CG2 4.29Å; F795-I800 HydrophobicContact CE1-CD1 4.32Å; F795-I800 HydrophobicContact CE1-CG1 4.23Å; F795-I800 HydrophobicContact CE1-CG2 4.21Å; F795-P826 HydrophobicContact CD1-CB 3.94Å; F795-P826 HydrophobicContact CE1-CB 4.24Å; F795-E827 HydrophobicContact CB-CG 3.85Å; F795-E827 WeakPolarHBondContact CB-OE1 3.36Å; F795-E827 HydrophobicContact CD1-CG 4.01Å; F795-E827 HydrophobicContact CD2-CG 3.61Å; F795-E827 HydrophobicContact CE1-CG 4.49Å; F795-E827 HydrophobicContact CE2-CG 4.11Å; F795-E827 HydrophobicContact CG-CG 3.55Å; F795-Y830 VanDerWaalsContact CZ-O 3.26Å; F795-Y830 WeakPolarHBondContact CZ-O 3.49Å; F795-I832 HydrophobicContact CD2-CG1 4.12Å; F795-I832 HydrophobicContact CE2-CD1 4.47Å; F795-I832 HydrophobicContact CE2-CG1 3.65Å |
| 796 | F | 81.3 | Confident | 89.2 | Confident | 86 Ų | 86 | 37.7 Ų | 37.7 | 38% | 0.377 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 155.5 | 172.3 | -72.1 | -80.7 | 0 | 0 | 0 | 109.5 | K794 S798 G799 L801 | K794-F796 HydrophobicContact CB-CE2 4.17Å; K794-F796 HydrophobicContact CD-CE1 4.48Å; K794-F796 HydrophobicContact CD-CE2 4.28Å; K794-F796 HydrophobicContact CD-CZ 3.94Å; K794-F796 HydrophobicContact CG-CE2 4.36Å; K794-F796 HydrophobicContact CG-CZ 4.47Å; F796-S798 PolarHBondContact O-N 3.41Å; F796-G799 CarbonylContact C-O 3.58Å; F796-G799 WeakPolarHBondContact CA-O 3.38Å; F796-G799 PolarHBondContact N-O 3.3Å; F796-G799 PolarHBondContact O-N 3.16Å; F796-L801 HydrophobicContact CD2-CB 4.06Å; F796-L801 HydrophobicContact CE2-CB 3.84Å; F796-L801 HydrophobicContact CE2-CD2 4.01Å; F796-L801 HydrophobicContact CE2-CG 4.36Å |
| 797 | P | 75 | Confident | 89 | Confident | 132 Ų | 132 | 38.6 Ų | 38.6 | 86% | 0.857 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -28.4 | 171.6 | -25.4 | 34.1 | 0 | 0 | 0 | 113.2 | ||
| 798 | S | 79 | Confident | 88.7 | Confident | 69 Ų | 69 | 36.7 Ų | 36.7 | 48% | 0.483 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -12.5 | 179.2 | 55.7 | 0 | 0 | 0 | 0 | 115 | F796 P813 K814 | F796-S798 PolarHBondContact O-N 3.41Å; S798-P813 WeakPolarHBondContact O-CA 3.22Å; S798-K814 PolarHBondContact O-N 3.48Å |
| 799 | G | 85.7 | Confident | 88.5 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.5 | -165.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | F796 L812 | F796-G799 CarbonylContact C-O 3.58Å; F796-G799 WeakPolarHBondContact CA-O 3.38Å; F796-G799 PolarHBondContact N-O 3.3Å; F796-G799 PolarHBondContact O-N 3.16Å; G799-L812 CarbonylContact C-O 3.58Å; G799-L812 VanDerWaalsContact CA-O 3.24Å; G799-L812 WeakPolarHBondContact CA-O 3.44Å |
| 800 | I | 90.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 130.3 | -179.4 | -52.3 | 176.2 | 0 | 0 | 0 | 109.5 | V792 F795 V802 L812 L817 P826 Y830 | V792-I800 HydrophobicContact CB-CG2 4.38Å; V792-I800 HydrophobicContact CG1-CG2 3.73Å; V792-I800 HydrophobicContact CG2-CG2 3.98Å; F795-I800 HydrophobicContact CD1-CG1 4.07Å; F795-I800 HydrophobicContact CD1-CG2 4.29Å; F795-I800 HydrophobicContact CE1-CD1 4.32Å; F795-I800 HydrophobicContact CE1-CG1 4.23Å; F795-I800 HydrophobicContact CE1-CG2 4.21Å; I800-V802 HydrophobicContact CG2-CG2 4.27Å; I800-L812 HydrophobicContact CB-CB 4.36Å; I800-L812 HydrophobicContact CD1-CD2 4.45Å; I800-L812 PolarHBondContact N-O 3.48Å; I800-L812 PolarHBondContact O-N 2.74Å; I800-L817 HydrophobicContact CD1-CD1 3.88Å; I800-L817 HydrophobicContact CD1-CD2 4.15Å; I800-L817 HydrophobicContact CG1-CD1 4.07Å; I800-P826 HydrophobicContact CD1-CB 3.93Å; I800-P826 HydrophobicContact CG1-CB 3.78Å; I800-P826 HydrophobicContact CG1-CG 4.48Å; I800-Y830 HydrophobicContact CD1-CD2 3.35Å; I800-Y830 HydrophobicContact CD1-CE2 3.73Å; I800-Y830 HydrophobicContact CD1-CG 4.15Å |
| 801 | L | 92.1 | Very high | 88.2 | Confident | 42 Ų | 42 | 40.9 Ų | 40.9 | 22% | 0.22 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 116.2 | 170.9 | -168.4 | 74.3 | 0 | 0 | 0 | 109.9 | T793 K794 F796 C809 | T793-L801 PolarHBondContact N-O 2.88Å; T793-L801 PolarHBondContact OG1-O 3.25Å; K794-L801 HydrophobicContact CB-CB 4.4Å; K794-L801 WeakPolarHBondContact O-CB 2.88Å; K794-L801 PolarHBondContact O-N 3.29Å; F796-L801 HydrophobicContact CD2-CB 4.06Å; F796-L801 HydrophobicContact CE2-CB 3.84Å; F796-L801 HydrophobicContact CE2-CD2 4.01Å; F796-L801 HydrophobicContact CE2-CG 4.36Å; L801-C809 HydrophobicContact CD1-CB 4.09Å; L801-C809 HydrophobicContact CD2-CB 4.48Å; L801-C809 HydrophobicContact CG-CB 4.32Å |
| 802 | V | 93 | Very high | 88.1 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 125.9 | -179.8 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | Y791 I800 F804 C809 G810 L812 V838 L852 | Y791-V802 CarbonylContact O-C 3.39Å; Y791-V802 WeakPolarHBondContact O-CA 3.25Å; I800-V802 HydrophobicContact CG2-CG2 4.27Å; V802-F804 HydrophobicContact CG1-CE1 4.35Å; V802-F804 HydrophobicContact CG1-CE2 4.29Å; V802-F804 HydrophobicContact CG1-CZ 3.97Å; V802-C809 CarbonylContact O-C 3.57Å; V802-C809 WeakPolarHBondContact O-CA 3.16Å; V802-G810 PolarHBondContact N-O 3.46Å; V802-G810 PolarHBondContact O-N 3.13Å; V802-L812 HydrophobicContact CG2-CB 4.34Å; V802-V838 HydrophobicContact CG1-CG2 4.47Å; V802-L852 HydrophobicContact CB-CD1 3.7Å; V802-L852 HydrophobicContact CG1-CD1 4.31Å; V802-L852 HydrophobicContact CG2-CD1 4.09Å |
| 803 | A | 92.7 | Very high | 87.9 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 2% | 0.017 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 154.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G790 Y791 T793 L808 | G790-A803 CarbonylContact C-O 3.44Å; G790-A803 WeakPolarHBondContact CA-O 3.41Å; Y791-A803 HydrophobicContact CD1-CB 4.47Å; Y791-A803 WeakPolarHBondContact CD1-O 3.5Å; Y791-A803 HydrophobicContact CE1-CB 3.86Å; Y791-A803 WeakPolarHBondContact CE1-O 3.37Å; Y791-A803 HydrophobicContact CE2-CB 3.95Å; Y791-A803 PolarHBondContact N-O 3.44Å; Y791-A803 PolarHBondContact O-N 3.41Å; T793-A803 HydrophobicContact CG2-CB 3.36Å; A803-L808 CarbonylContact C-O 3.53Å; A803-L808 WeakPolarHBondContact CA-O 3.28Å |
| 804 | F | 93 | Very high | 87.6 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | trans | -126.3 | -155.7 | -179.3 | -55.3 | -87.6 | 0 | 0 | 0 | 110.2 | L776 F788 V802 L808 V838 L852 | L776-F804 HydrophobicContact CB-CB 4.08Å; L776-F804 HydrophobicContact CB-CD1 4.04Å; L776-F804 HydrophobicContact CB-CG 4.11Å; L776-F804 HydrophobicContact CD2-CB 4.45Å; L776-F804 HydrophobicContact CD2-CD1 3.97Å; L776-F804 HydrophobicContact CD2-CD2 3.82Å; L776-F804 HydrophobicContact CD2-CE1 4.08Å; L776-F804 HydrophobicContact CD2-CE2 3.95Å; L776-F804 HydrophobicContact CD2-CG 3.82Å; L776-F804 HydrophobicContact CD2-CZ 4.06Å; L776-F804 HydrophobicContact CG-CB 4.41Å; L776-F804 HydrophobicContact CG-CG 4.29Å; L776-F804 WeakPolarHBondContact O-CB 3.38Å; F788-F804 HydrophobicContact CB-CD1 4.26Å; F788-F804 HydrophobicContact CB-CE1 3.8Å; V802-F804 HydrophobicContact CG1-CE1 4.35Å; V802-F804 HydrophobicContact CG1-CE2 4.29Å; V802-F804 HydrophobicContact CG1-CZ 3.97Å; F804-L808 HydrophobicContact CB-CB 4.36Å; F804-L808 PolarHBondContact N-O 3.18Å; F804-V838 HydrophobicContact CE1-CG2 3.87Å; F804-V838 HydrophobicContact CZ-CG2 3.64Å; F804-L852 HydrophobicContact CE2-CD1 4.06Å; F804-L852 HydrophobicContact CE2-CD2 4.37Å; F804-L852 HydrophobicContact CZ-CD1 3.94Å; F804-L852 HydrophobicContact CZ-CD2 3.99Å | ||
| 805 | Y | 91.4 | Very high | 87.3 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 2% | 0.024 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -76.4 | 159.9 | 176 | -61.9 | -96.4 | 0 | 0 | 0 | 110 | R749 V750 L751 L768 P775 L776 V777 N807 L808 | R749-Y805 WeakPolarHBondContact CD-OH 3.33Å; R749-Y805 HydrophobicContact CG-CE1 3.97Å; V750-Y805 VanDerWaalsContact O-CD1 3.28Å; V750-Y805 WeakPolarHBondContact O-CD1 3.28Å; L751-Y805 HydrophobicContact CD2-CD1 4.27Å; L751-Y805 HydrophobicContact CD2-CE1 4.35Å; L751-Y805 CarbonylContact O-C 3.4Å; L751-Y805 WeakPolarHBondContact O-CA 3.3Å; L768-Y805 PolarHBondContact O-OH 3.05Å; P775-Y805 HydrophobicContact CB-CD1 4.32Å; P775-Y805 HydrophobicContact CB-CD2 3.46Å; P775-Y805 VanDerWaalsContact CB-CD2 3.46Å; P775-Y805 HydrophobicContact CB-CE1 4.42Å; P775-Y805 HydrophobicContact CB-CE2 3.59Å; P775-Y805 HydrophobicContact CB-CG 3.87Å; L776-Y805 WeakPolarHBondContact O-CB 3.49Å; L776-Y805 PolarHBondContact O-N 3.21Å; L776-Y805 VanDerWaalsContact O-N 3.16Å; V777-Y805 HydrophobicContact CG1-CG 4.48Å; Y805-N807 PolarHBondContact O-N 2.94Å; Y805-L808 WeakPolarHBondContact O-CB 3.24Å; Y805-L808 PolarHBondContact O-N 2.86Å |
| 806 | N | 86.8 | Confident | 87.1 | Confident | 84 Ų | 84 | 39.2 Ų | 39.2 | 45% | 0.449 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | 55.1 | 34 | 179.2 | -157.6 | 32.2 | 0 | 0 | 0 | 114.5 | A694 L751 V777 L808 | A694-N806 HydrophobicContact CB-CB 4.06Å; L751-N806 PolarHBondContact O-N 2.96Å; V777-N806 HydrophobicContact CB-CB 4.41Å; V777-N806 HydrophobicContact CG1-CB 4.29Å; V777-N806 WeakPolarHBondContact O-CB 3.33Å; V777-N806 PolarHBondContact O-ND2 3.39Å; N806-L808 PolarHBondContact O-N 2.87Å; N806-L808 VanDerWaalsContact O-N 3.14Å |
| 807 | N | 84.5 | Confident | 87.2 | Confident | 105 Ų | 105 | 35.2 Ų | 35.2 | 56% | 0.561 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | 59.4 | 18.5 | -178.8 | -55.3 | -36.2 | 0 | 0 | 0 | 115 | Y805 | Y805-N807 PolarHBondContact O-N 2.94Š|
| 808 | L | 86.6 | Confident | 87.4 | Confident | 9 Ų | 9 | 33.3 Ų | 33.3 | 5% | 0.047 | 19% | 0.187 | C | C | . | . | trans | -68.9 | 135.6 | 174.2 | -142.3 | 82.2 | 0 | 0 | 0 | 110.2 | L776 C779 A803 F804 Y805 N806 I850 | L776-L808 HydrophobicContact CD1-CD2 4.18Å; L776-L808 HydrophobicContact CD2-CD2 4.02Å; L776-L808 HydrophobicContact CG-CD2 3.71Å; C779-L808 HydrophobicContact CB-CD1 4.14Å; C779-L808 HydrophobicContact CB-CD2 4.5Å; A803-L808 CarbonylContact C-O 3.53Å; A803-L808 WeakPolarHBondContact CA-O 3.28Å; F804-L808 HydrophobicContact CB-CB 4.36Å; F804-L808 PolarHBondContact N-O 3.18Å; Y805-L808 WeakPolarHBondContact O-CB 3.24Å; Y805-L808 PolarHBondContact O-N 2.86Å; N806-L808 PolarHBondContact O-N 2.87Å; N806-L808 VanDerWaalsContact O-N 3.14Å; L808-I850 HydrophobicContact CD2-CD1 3.34Å; L808-I850 HydrophobicContact CG-CD1 4.06Å | ||
| 809 | C | 88 | Confident | 87.4 | Confident | 50 Ų | 50 | 35.2 Ų | 35.2 | 34% | 0.338 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 140.9 | -179.7 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | L801 V802 | L801-C809 HydrophobicContact CD1-CB 4.09Å; L801-C809 HydrophobicContact CD2-CB 4.48Å; L801-C809 HydrophobicContact CG-CB 4.32Å; V802-C809 CarbonylContact O-C 3.57Å; V802-C809 WeakPolarHBondContact O-CA 3.16Å |
| 810 | G | 90.3 | Very high | 87 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 150.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V802 I850 | V802-G810 PolarHBondContact N-O 3.46Å; V802-G810 PolarHBondContact O-N 3.13Å; G810-I850 CarbonylContact C-O 2.97Å; G810-I850 WeakPolarHBondContact CA-O 3.48Å |
| 811 | L | 90.7 | Very high | 86.4 | Confident | 59 Ų | 59 | 43.8 Ų | 43.8 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 121.9 | 177.2 | -174.6 | 71.6 | 0 | 0 | 0 | 109.3 | P813 I850 L852 | L811-P813 WeakPolarHBondContact O-CD 3.16Å; L811-I850 PolarHBondContact N-O 3.44Å; L811-L852 PolarHBondContact O-N 3.03Å |
| 812 | L | 91.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 99.2 | 165.8 | -179.5 | 64 | 0 | 0 | 0 | 107.4 | G799 I800 V802 A816 L817 V838 L852 L854 | G799-L812 CarbonylContact C-O 3.58Å; G799-L812 VanDerWaalsContact CA-O 3.24Å; G799-L812 WeakPolarHBondContact CA-O 3.44Å; I800-L812 HydrophobicContact CB-CB 4.36Å; I800-L812 HydrophobicContact CD1-CD2 4.45Å; I800-L812 PolarHBondContact N-O 3.48Å; I800-L812 PolarHBondContact O-N 2.74Å; V802-L812 HydrophobicContact CG2-CB 4.34Å; L812-A816 HydrophobicContact CD1-CB 3.86Å; L812-L817 HydrophobicContact CD2-CD2 3.79Å; L812-L817 HydrophobicContact CG-CD2 4.28Å; L812-V838 HydrophobicContact CD2-CG1 4.44Å; L812-L852 HydrophobicContact CB-CB 4.24Å; L812-L852 HydrophobicContact CD1-CB 4.2Å; L812-L852 WeakPolarHBondContact CD1-O 2.92Å; L812-L854 HydrophobicContact CD1-CG 4.32Å; L812-L854 HydrophobicContact CD2-CD2 3.95Å; L812-L854 HydrophobicContact CD2-CG 4.11Å |
| 813 | P | 89.8 | Confident | 84.7 | Confident | 18 Ų | 18 | 48.9 Ų | 48.9 | 12% | 0.117 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 154.4 | -172.9 | 29.9 | -33.7 | 0 | 0 | 0 | 111.2 | S798 L811 S815 A816 L852 | S798-P813 WeakPolarHBondContact O-CA 3.22Å; L811-P813 WeakPolarHBondContact O-CD 3.16Å; P813-S815 PolarHBondContact O-N 2.84Å; P813-S815 VanDerWaalsContact O-N 3.15Å; P813-A816 HydrophobicContact CG-CB 4.07Å; P813-A816 WeakPolarHBondContact O-CB 3.41Å; P813-A816 PolarHBondContact O-N 3.43Å; P813-L852 VanDerWaalsContact CD-O 3.23Å; P813-L852 WeakPolarHBondContact CD-O 3.36Å |
| 814 | K | 82.8 | Confident | 83.8 | Confident | 99 Ų | 99 | 54.6 Ų | 54.6 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -55.7 | -33.3 | 178.3 | -167.1 | 177.8 | -179.2 | -179.5 | 0 | 113 | S798 A816 L817 I818 | S798-K814 PolarHBondContact O-N 3.48Å; K814-A816 VanDerWaalsContact C-N 3.3Å; K814-A816 PolarHBondContact O-N 3.27Å; K814-L817 WeakPolarHBondContact O-CB 3.15Å; K814-L817 PolarHBondContact O-N 3.11Å; K814-L817 VanDerWaalsContact O-N 3.15Å; K814-I818 HydrophobicContact CG-CD1 4.24Å; K814-I818 WeakPolarHBondContact O-CG1 3.3Å; K814-I818 PolarHBondContact O-N 3.08Å; K814-I818 VanDerWaalsContact O-N 3.07Å |
| 815 | S | 81.5 | Confident | 82.9 | Confident | 55 Ų | 55 | 59.3 Ų | 59.3 | 39% | 0.385 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.3 | -42.3 | 175.5 | 62.9 | 0 | 0 | 0 | 0 | 112.3 | P813 L817 I818 D819 | P813-S815 PolarHBondContact O-N 2.84Å; P813-S815 VanDerWaalsContact O-N 3.15Å; S815-L817 VanDerWaalsContact C-N 3.27Å; S815-L817 PolarHBondContact O-N 3.1Å; S815-I818 PolarHBondContact O-N 3.49Å; S815-D819 PolarHBondContact O-N 3.46Å |
| 816 | A | 83.3 | Confident | 82.2 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 2% | 0.017 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.7 | -24.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L812 P813 K814 A820 V853 | L812-A816 HydrophobicContact CD1-CB 3.86Å; P813-A816 HydrophobicContact CG-CB 4.07Å; P813-A816 WeakPolarHBondContact O-CB 3.41Å; P813-A816 PolarHBondContact O-N 3.43Å; K814-A816 VanDerWaalsContact C-N 3.3Å; K814-A816 PolarHBondContact O-N 3.27Å; A816-A820 WeakPolarHBondContact O-CB 3.13Å; A816-A820 PolarHBondContact O-N 2.87Å; A816-V853 HydrophobicContact CB-CB 4.41Å; A816-V853 HydrophobicContact CB-CG1 4.03Å |
| 817 | L | 83.3 | Confident | 81.8 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -74.4 | -42.7 | 171.8 | -62.5 | 174.3 | 0 | 0 | 0 | 110.7 | I800 L812 K814 S815 A820 N821 I822 P826 Y830 L854 | I800-L817 HydrophobicContact CD1-CD1 3.88Å; I800-L817 HydrophobicContact CD1-CD2 4.15Å; I800-L817 HydrophobicContact CG1-CD1 4.07Å; L812-L817 HydrophobicContact CD2-CD2 3.79Å; L812-L817 HydrophobicContact CG-CD2 4.28Å; K814-L817 WeakPolarHBondContact O-CB 3.15Å; K814-L817 PolarHBondContact O-N 3.11Å; K814-L817 VanDerWaalsContact O-N 3.15Å; S815-L817 VanDerWaalsContact C-N 3.27Å; S815-L817 PolarHBondContact O-N 3.1Å; L817-A820 CarbonylContact O-C 3.49Å; L817-A820 WeakPolarHBondContact O-CA 3.43Å; L817-A820 PolarHBondContact O-N 3.21Å; L817-A820 VanDerWaalsContact O-N 3.12Å; L817-N821 PolarHBondContact O-N 3.09Å; L817-I822 HydrophobicContact CB-CB 4.32Å; L817-I822 HydrophobicContact CD2-CD1 4.28Å; L817-I822 WeakPolarHBondContact O-CB 3.43Å; L817-I822 PolarHBondContact O-N 3.26Å; L817-P826 HydrophobicContact CD1-CB 4.18Å; L817-P826 HydrophobicContact CD1-CG 3.79Å; L817-Y830 HydrophobicContact CD2-CE2 3.95Å; L817-L854 HydrophobicContact CD2-CD1 3.82Å |
| 818 | I | 79.8 | Confident | 81.5 | Confident | 92 Ų | 92 | 63.5 Ų | 63.5 | 47% | 0.472 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 175.7 | -63.6 | 165.1 | 0 | 0 | 0 | 110.2 | K814 S815 A820 N821 | K814-I818 HydrophobicContact CG-CD1 4.24Å; K814-I818 WeakPolarHBondContact O-CG1 3.3Å; K814-I818 PolarHBondContact O-N 3.08Å; K814-I818 VanDerWaalsContact O-N 3.07Å; S815-I818 PolarHBondContact O-N 3.49Å; I818-A820 PolarHBondContact O-N 3.18Å; I818-N821 WeakPolarHBondContact O-CA 3.34Å; I818-N821 PolarHBondContact O-N 3.37Å |
| 819 | D | 78.3 | Confident | 81.2 | Confident | 108 Ų | 108 | 65.5 Ų | 65.5 | 58% | 0.578 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.4 | -26.5 | 176.2 | -62.4 | -25.2 | 0 | 0 | 0 | 112.1 | S815 N821 T857 | S815-D819 PolarHBondContact O-N 3.46Å; D819-N821 VanDerWaalsContact C-N 3.3Å; D819-T857 HydrophobicContact CB-CG2 4.21Å |
| 820 | A | 78.2 | Confident | 81.2 | Confident | 31 Ų | 31 | 64.5 Ų | 64.5 | 26% | 0.256 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 15.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A816 L817 I818 I822 L854 T857 | A816-A820 WeakPolarHBondContact O-CB 3.13Å; A816-A820 PolarHBondContact O-N 2.87Å; L817-A820 CarbonylContact O-C 3.49Å; L817-A820 WeakPolarHBondContact O-CA 3.43Å; L817-A820 PolarHBondContact O-N 3.21Å; L817-A820 VanDerWaalsContact O-N 3.12Å; I818-A820 PolarHBondContact O-N 3.18Å; A820-I822 VanDerWaalsContact C-N 3.26Å; A820-I822 PolarHBondContact O-N 3.46Å; A820-L854 HydrophobicContact CB-CB 4.3Å; A820-L854 HydrophobicContact CB-CD1 3.63Å; A820-T857 HydrophobicContact CB-CG2 3.91Å |
| 821 | N | 77.4 | Confident | 81.1 | Confident | 150 Ų | 150 | 68.2 Ų | 68.2 | 80% | 0.802 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 22.6 | -176.5 | -66.1 | -30.5 | 0 | 0 | 0 | 115.2 | L817 I818 D819 S823 | L817-N821 PolarHBondContact O-N 3.09Å; I818-N821 WeakPolarHBondContact O-CA 3.34Å; I818-N821 PolarHBondContact O-N 3.37Å; D819-N821 VanDerWaalsContact C-N 3.3Å; N821-S823 PolarHBondContact O-N 3.02Å |
| 822 | I | 78.7 | Confident | 81 | Confident | 35 Ų | 35 | 70 Ų | 70 | 18% | 0.179 | 37% | 0.368 | C | S | . | . | trans | -94.3 | 95.2 | 174.6 | -55.1 | 174 | 0 | 0 | 0 | 108.5 | L817 A820 V829 Y830 L854 | L817-I822 HydrophobicContact CB-CB 4.32Å; L817-I822 HydrophobicContact CD2-CD1 4.28Å; L817-I822 WeakPolarHBondContact O-CB 3.43Å; L817-I822 PolarHBondContact O-N 3.26Å; A820-I822 VanDerWaalsContact C-N 3.26Å; A820-I822 PolarHBondContact O-N 3.46Å; I822-V829 HydrophobicContact CG2-CB 4.36Å; I822-V829 HydrophobicContact CG2-CG1 4.24Å; I822-V829 HydrophobicContact CG2-CG2 3.73Å; I822-Y830 HydrophobicContact CD1-CE2 4.25Å; I822-Y830 WeakPolarHBondContact CD1-OH 3.01Å; I822-L854 HydrophobicContact CD1-CD1 3.88Å | ||
| 823 | S | 70.7 | Confident | 80.8 | Confident | 114 Ų | 114 | 70 Ų | 70 | 80% | 0.797 | 37% | 0.368 | S | S | * | . | trans | -87.7 | -18.6 | -178 | -54.6 | 0 | 0 | 0 | 0 | 113.5 | N821 | N821-S823 PolarHBondContact O-N 3.02Š| ||
| 824 | E | 74.5 | Confident | 80.9 | Confident | 123 Ų | 123 | 71.2 Ų | 71.2 | 58% | 0.575 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -73.2 | 162.7 | -178.6 | -67 | 168.1 | -174 | 0 | 0 | 111.9 | V829 | E824-V829 HydrophobicContact CB-CG2 3.77Å; E824-V829 WeakPolarHBondContact OE2-CG2 3.31Å |
| 825 | L | 73.1 | Confident | 81.4 | Confident | 102 Ų | 102 | 68 Ų | 68 | 53% | 0.534 | 36% | 0.361 | S | S | . | . | trans | -62.6 | 137.5 | 176.1 | -79.8 | 150.1 | 0 | 0 | 0 | 109.5 | E827 Q828 | L825-E827 PolarHBondContact O-N 3.38Å; L825-Q828 HydrophobicContact CB-CG 4.09Å; L825-Q828 WeakPolarHBondContact O-CB 3.37Å; L825-Q828 PolarHBondContact O-N 3.36Å | ||
| 826 | P | 76.5 | Confident | 81.8 | Confident | 15 Ų | 15 | 65.9 Ų | 65.9 | 10% | 0.097 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -52.9 | -31.8 | -177.9 | -28.4 | 34.4 | 0 | 0 | 0 | 114.5 | F795 I800 L817 Q828 V829 Y830 | F795-P826 HydrophobicContact CD1-CB 3.94Å; F795-P826 HydrophobicContact CE1-CB 4.24Å; I800-P826 HydrophobicContact CD1-CB 3.93Å; I800-P826 HydrophobicContact CG1-CB 3.78Å; I800-P826 HydrophobicContact CG1-CG 4.48Å; L817-P826 HydrophobicContact CD1-CB 4.18Å; L817-P826 HydrophobicContact CD1-CG 3.79Å; P826-Q828 VanDerWaalsContact C-N 3.3Å; P826-V829 PolarHBondContact O-N 3.09Å; P826-Y830 PolarHBondContact O-N 3.2Å |
| 827 | E | 78.8 | Confident | 82.3 | Confident | 136 Ų | 136 | 71.6 Ų | 71.6 | 64% | 0.636 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -73.2 | -18.1 | 178.8 | -62.3 | -179.7 | 175 | 0 | 0 | 113.8 | F795 L825 | F795-E827 HydrophobicContact CB-CG 3.85Å; F795-E827 WeakPolarHBondContact CB-OE1 3.36Å; F795-E827 HydrophobicContact CD1-CG 4.01Å; F795-E827 HydrophobicContact CD2-CG 3.61Å; F795-E827 HydrophobicContact CE1-CG 4.49Å; F795-E827 HydrophobicContact CE2-CG 4.11Å; F795-E827 HydrophobicContact CG-CG 3.55Å; L825-E827 PolarHBondContact O-N 3.38Å |
| 828 | Q | 78.6 | Confident | 82.8 | Confident | 131 Ų | 131 | 71.4 Ų | 71.4 | 61% | 0.612 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -84.7 | -27.1 | 175.6 | -66.9 | 174.4 | -26.8 | 0 | 0 | 111.8 | L825 P826 | L825-Q828 HydrophobicContact CB-CG 4.09Å; L825-Q828 WeakPolarHBondContact O-CB 3.37Å; L825-Q828 PolarHBondContact O-N 3.36Å; P826-Q828 VanDerWaalsContact C-N 3.3Å |
| 829 | V | 79.9 | Confident | 83.3 | Confident | 51 Ų | 51 | 67.9 Ų | 67.9 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -97.3 | -40 | -174.8 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | I822 E824 P826 | I822-V829 HydrophobicContact CG2-CB 4.36Å; I822-V829 HydrophobicContact CG2-CG1 4.24Å; I822-V829 HydrophobicContact CG2-CG2 3.73Å; E824-V829 HydrophobicContact CB-CG2 3.77Å; E824-V829 WeakPolarHBondContact OE2-CG2 3.31Å; P826-V829 PolarHBondContact O-N 3.09Å |
| 830 | Y | 87.8 | Confident | 84 | Confident | 29 Ų | 29 | 62.8 Ų | 62.8 | 11% | 0.114 | 32% | 0.321 | C | S | . | . | trans | -118.1 | 156.5 | -177.7 | -58.7 | -75 | 0 | 0 | 0 | 111.7 | F795 I800 L817 I822 P826 E834 I836 | F795-Y830 VanDerWaalsContact CZ-O 3.26Å; F795-Y830 WeakPolarHBondContact CZ-O 3.49Å; I800-Y830 HydrophobicContact CD1-CD2 3.35Å; I800-Y830 HydrophobicContact CD1-CE2 3.73Å; I800-Y830 HydrophobicContact CD1-CG 4.15Å; L817-Y830 HydrophobicContact CD2-CE2 3.95Å; I822-Y830 HydrophobicContact CD1-CE2 4.25Å; I822-Y830 WeakPolarHBondContact CD1-OH 3.01Å; P826-Y830 PolarHBondContact O-N 3.2Å; Y830-E834 WeakPolarHBondContact CA-OE2 3.26Å; Y830-I836 HydrophobicContact CD1-CD1 3.33Å; Y830-I836 HydrophobicContact CD1-CG1 3.91Å; Y830-I836 HydrophobicContact CD2-CD1 4.35Å; Y830-I836 HydrophobicContact CE1-CD1 3.51Å; Y830-I836 HydrophobicContact CE1-CG1 3.95Å; Y830-I836 HydrophobicContact CE1-CG2 4.41Å; Y830-I836 HydrophobicContact CE2-CD1 4.48Å; Y830-I836 HydrophobicContact CG-CD1 3.77Å | ||
| 831 | Y | 88.9 | Confident | 84.4 | Confident | 80 Ų | 80 | 65.1 Ų | 65.1 | 31% | 0.314 | 33% | 0.329 | S | S | . | . | trans | -121.6 | 156.8 | 172.8 | 61.9 | -87.2 | 0 | 0 | 0 | 113.1 | D729 P731 V792 G833 E834 | D729-Y831 PolarHBondContact O-OH 3.37Å; P731-Y831 HydrophobicContact CB-CD2 3.76Å; P731-Y831 HydrophobicContact CB-CE2 3.76Å; P731-Y831 HydrophobicContact CB-CG 4.38Å; P731-Y831 HydrophobicContact CG-CD2 4.33Å; P731-Y831 HydrophobicContact CG-CE2 4.11Å; V792-Y831 WeakPolarHBondContact CB-O 3.3Å; Y831-G833 PolarHBondContact O-N 3.2Å; Y831-E834 HydrophobicContact CD1-CB 4.02Å; Y831-E834 HydrophobicContact CD1-CG 4.28Å; Y831-E834 VanDerWaalsContact CD1-OE2 3.23Å; Y831-E834 WeakPolarHBondContact CD1-OE2 3.48Å; Y831-E834 HydrophobicContact CD2-CB 4Å; Y831-E834 HydrophobicContact CE1-CB 3.78Å; Y831-E834 HydrophobicContact CE1-CG 3.72Å; Y831-E834 WeakPolarHBondContact CE1-OE2 3.48Å; Y831-E834 HydrophobicContact CE2-CB 3.77Å; Y831-E834 HydrophobicContact CE2-CG 4.43Å; Y831-E834 HydrophobicContact CG-CB 4.11Å; Y831-E834 PolarHBondContact N-OE2 3.47Å; Y831-E834 WeakPolarHBondContact O-CB 3.31Å; Y831-E834 PolarHBondContact O-N 3.48Å | ||
| 832 | I | 88 | Confident | 84.9 | Confident | 95 Ų | 95 | 59 Ų | 59 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 124.8 | 177.8 | -59.9 | 179.6 | 0 | 0 | 0 | 109.9 | F795 | F795-I832 HydrophobicContact CD2-CG1 4.12Å; F795-I832 HydrophobicContact CE2-CD1 4.47Å; F795-I832 HydrophobicContact CE2-CG1 3.65Å |
| 833 | G | 87.7 | Confident | 85.1 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -3.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K765 V792 Y831 | K765-G833 WeakPolarHBondContact CE-O 3.43Å; K765-G833 PolarHBondContact NZ-O 2.97Å; V792-G833 WeakPolarHBondContact O-CA 3.35Å; V792-G833 PolarHBondContact O-N 3.3Å; Y831-G833 PolarHBondContact O-N 3.2Å |
| 834 | E | 91.8 | Very high | 85.7 | Confident | 43 Ų | 43 | 56.6 Ų | 56.6 | 20% | 0.201 | 28% | 0.281 | C | S | . | . | trans | -63.4 | 142.6 | 170.6 | -170.7 | 173.8 | 171.8 | 0 | 0 | 111 | Y791 V792 Y830 Y831 I836 | Y791-E834 CarbonylContact C-O 3.57Å; Y791-E834 WeakPolarHBondContact CA-O 3.44Å; Y791-E834 WeakPolarHBondContact CB-O 3.24Å; V792-E834 HydrophobicContact CG2-CB 4.36Å; V792-E834 PolarHBondContact N-O 3.1Å; Y830-E834 WeakPolarHBondContact CA-OE2 3.26Å; Y831-E834 HydrophobicContact CD1-CB 4.02Å; Y831-E834 HydrophobicContact CD1-CG 4.28Å; Y831-E834 VanDerWaalsContact CD1-OE2 3.23Å; Y831-E834 WeakPolarHBondContact CD1-OE2 3.48Å; Y831-E834 HydrophobicContact CD2-CB 4Å; Y831-E834 HydrophobicContact CE1-CB 3.78Å; Y831-E834 HydrophobicContact CE1-CG 3.72Å; Y831-E834 WeakPolarHBondContact CE1-OE2 3.48Å; Y831-E834 HydrophobicContact CE2-CB 3.77Å; Y831-E834 HydrophobicContact CE2-CG 4.43Å; Y831-E834 HydrophobicContact CG-CB 4.11Å; Y831-E834 PolarHBondContact N-OE2 3.47Å; Y831-E834 WeakPolarHBondContact O-CB 3.31Å; Y831-E834 PolarHBondContact O-N 3.48Å; E834-I836 HydrophobicContact CG-CG1 4.46Å | ||
| 835 | V | 92.4 | Very high | 85.8 | Confident | 33 Ų | 33 | 54.5 Ų | 54.5 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 117 | 178.3 | 177 | 0 | 0 | 0 | 0 | 108.8 | K765 S767 L768 D789 G790 | K765-V835 HydrophobicContact CD-CG2 3.45Å; K765-V835 VanDerWaalsContact CD-CG2 3.45Å; S767-V835 WeakPolarHBondContact OG-CG2 3.48Å; L768-V835 HydrophobicContact CD1-CG2 4.18Å; L768-V835 HydrophobicContact CD2-CG1 3.96Å; L768-V835 HydrophobicContact CD2-CG2 4.36Å; L768-V835 HydrophobicContact CG-CG1 4.33Å; L768-V835 HydrophobicContact CG-CG2 3.97Å; D789-V835 HydrophobicContact CB-CG1 4.11Å; G790-V835 CarbonylContact O-C 3.59Å; G790-V835 VanDerWaalsContact O-CA 3.24Å; G790-V835 WeakPolarHBondContact O-CA 3.49Å; G790-V835 WeakPolarHBondContact O-CG1 3.42Å |
| 836 | I | 91.4 | Very high | 85.7 | Confident | 10 Ų | 10 | 54.9 Ų | 54.9 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 133.9 | -177.5 | -52.3 | 176.8 | 0 | 0 | 0 | 108.5 | G790 V792 Y830 E834 V838 L854 | G790-I836 PolarHBondContact N-O 3.32Å; G790-I836 PolarHBondContact O-N 3.46Å; G790-I836 VanDerWaalsContact O-O 3.12Å; V792-I836 HydrophobicContact CG2-CD1 3.21Å; V792-I836 HydrophobicContact CG2-CG1 3.88Å; Y830-I836 HydrophobicContact CD1-CD1 3.33Å; Y830-I836 HydrophobicContact CD1-CG1 3.91Å; Y830-I836 HydrophobicContact CD2-CD1 4.35Å; Y830-I836 HydrophobicContact CE1-CD1 3.51Å; Y830-I836 HydrophobicContact CE1-CG1 3.95Å; Y830-I836 HydrophobicContact CE1-CG2 4.41Å; Y830-I836 HydrophobicContact CE2-CD1 4.48Å; Y830-I836 HydrophobicContact CG-CD1 3.77Å; E834-I836 HydrophobicContact CG-CG1 4.46Å; I836-V838 HydrophobicContact CG2-CG1 4.06Å; I836-L854 HydrophobicContact CG2-CD2 3.81Å |
| 837 | R | 92.4 | Very high | 85.4 | Confident | 121 Ų | 121 | 60.7 Ų | 60.7 | 46% | 0.457 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 128.2 | 171.3 | -173.3 | 162.1 | -71.6 | 178 | -2.2 | 109.7 | T787 D789 P855 | T787-R837 HydrophobicContact CG2-CG 3.34Å; D789-R837 WeakPolarHBondContact OD1-CB 3.49Å; D789-R837 WeakPolarHBondContact OD1-CG 3.36Å; D789-R837 IonicContact OD1-CZ 3.07Å; D789-R837 IonicContact OD1-NE 3.25Å; D789-R837 PolarHBondContact OD1-NE 3.24Å; D789-R837 IonicContact OD1-NH2 3.95Å; D789-R837 PolarHBondContact OD1-NH2 3.46Å; D789-R837 IonicContact OD2-CZ 3.81Å; D789-R837 IonicContact OD2-NE 2.65Å; D789-R837 IonicContact OD2-NH2 3.94Å; D789-R837 PolarHBondContact OD2-NH2 3.16Å; R837-P855 HydrophobicContact CB-CG 4.17Å; R837-P855 HydrophobicContact CG-CG 3.78Å; R837-P855 WeakPolarHBondContact O-CD 3.4Å |
| 838 | V | 93.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 149.9 | -175.2 | -69.7 | 0 | 0 | 0 | 0 | 110.8 | T787 F788 V802 F804 L812 I836 L852 V853 L854 | T787-V838 WeakPolarHBondContact CA-O 3.19Å; F788-V838 PolarHBondContact N-O 2.87Å; F788-V838 PolarHBondContact O-N 2.96Å; V802-V838 HydrophobicContact CG1-CG2 4.47Å; F804-V838 HydrophobicContact CE1-CG2 3.87Å; F804-V838 HydrophobicContact CZ-CG2 3.64Å; L812-V838 HydrophobicContact CD2-CG1 4.44Å; I836-V838 HydrophobicContact CG2-CG1 4.06Å; V838-L852 HydrophobicContact CB-CB 4.26Å; V838-L852 HydrophobicContact CB-CD1 4.44Å; V838-L852 HydrophobicContact CB-CD2 4.31Å; V838-L852 HydrophobicContact CG2-CD1 4.06Å; V838-L852 HydrophobicContact CG2-CD2 3.93Å; V838-L852 HydrophobicContact CG2-CG 4.43Å; V838-V853 WeakPolarHBondContact CA-O 3.37Å; V838-L854 HydrophobicContact CG1-CD2 4.47Å |
| 839 | V | 92.2 | Very high | 85.1 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 11% | 0.109 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 137 | 173.3 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | Q786 T787 D841 L852 V853 P855 | Q786-V839 WeakPolarHBondContact O-CA 3.46Å; T787-V839 HydrophobicContact CG2-CG2 4.44Å; V839-D841 PolarHBondContact O-N 2.96Å; V839-L852 CarbonylContact O-C 3.54Å; V839-L852 WeakPolarHBondContact O-CA 3.24Å; V839-V853 HydrophobicContact CB-CG2 3.89Å; V839-V853 HydrophobicContact CG1-CG2 4.5Å; V839-V853 PolarHBondContact N-O 3Å; V839-V853 PolarHBondContact O-N 3.32Å; V839-P855 HydrophobicContact CG2-CG 4.39Å |
| 840 | V | 91.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 106.7 | 175.6 | 177.7 | 0 | 0 | 0 | 0 | 109.4 | I783 I784 G785 Q786 F788 V843 I850 L852 | I783-V840 HydrophobicContact CG1-CG1 4.45Å; I783-V840 WeakPolarHBondContact O-CB 3.31Å; I784-V840 HydrophobicContact CG1-CG1 4.43Å; G785-V840 PolarHBondContact N-O 2.86Å; Q786-V840 PolarHBondContact O-N 2.87Å; F788-V840 HydrophobicContact CD2-CG2 3.75Å; F788-V840 HydrophobicContact CE2-CG2 3.86Å; V840-V843 HydrophobicContact CG1-CG2 3.5Å; V840-I850 HydrophobicContact CG1-CG2 3.85Å; V840-I850 HydrophobicContact CG2-CG2 4.11Å; V840-L852 HydrophobicContact CG2-CD2 4.11Å |
| 841 | D | 88.4 | Confident | 85.6 | Confident | 81 Ų | 81 | 63.3 Ų | 63.3 | 43% | 0.433 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | -38.9 | 178.4 | 175.8 | 54.1 | 0 | 0 | 0 | 111.7 | V839 R851 V853 | V839-D841 PolarHBondContact O-N 2.96Å; D841-R851 PolarHBondContact N-O 3.23Å; D841-R851 WeakPolarHBondContact OD2-CD 3.41Å; D841-R851 IonicContact OD2-NE 2.69Å; D841-V853 HydrophobicContact CB-CG1 3.83Å; D841-V853 HydrophobicContact CB-CG2 4.13Å |
| 842 | G | 86 | Confident | 85.8 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 23% | 0.227 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 151.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R851 | G842-R851 PolarHBondContact N-O 2.83Å; G842-R851 PolarHBondContact O-N 3.44Å |
| 843 | V | 84.4 | Confident | 86 | Confident | 30 Ų | 30 | 56.2 Ų | 56.2 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 131 | -177 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | C779 I783 I784 V840 V845 I850 | C779-V843 WeakPolarHBondContact SG-CG1 3.26Å; I783-V843 HydrophobicContact CD1-CG2 3.89Å; I783-V843 HydrophobicContact CG1-CG2 3.94Å; I784-V843 HydrophobicContact CD1-CB 4.34Å; I784-V843 HydrophobicContact CD1-CG2 4.46Å; I784-V843 HydrophobicContact CG1-CB 4.19Å; I784-V843 HydrophobicContact CG1-CG2 3.77Å; V840-V843 HydrophobicContact CG1-CG2 3.5Å; V843-V845 HydrophobicContact CG1-CG2 4.05Å; V843-I850 HydrophobicContact CG2-CG1 4.43Å; V843-I850 HydrophobicContact CG2-CG2 4.49Å |
| 844 | N | 81.8 | Confident | 86 | Confident | 68 Ų | 68 | 56.9 Ų | 56.9 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 93.6 | 168.2 | -171.5 | -28.8 | 0 | 0 | 0 | 109.4 | S846 K847 N848 R849 | N844-S846 VanDerWaalsContact C-N 3.32Å; N844-S846 PolarHBondContact O-N 3.44Å; N844-S846 PolarHBondContact OD1-N 3.01Å; N844-S846 PolarHBondContact OD1-OG 2.63Å; N844-K847 PolarHBondContact O-N 2.8Å; N844-K847 PolarHBondContact OD1-N 2.89Å; N844-N848 PolarHBondContact O-N 2.73Å; N844-R849 HydrophobicContact CB-CB 4.44Å; N844-R849 PolarHBondContact N-O 2.79Å; N844-R849 PolarHBondContact O-N 3.45Å |
| 845 | V | 77.6 | Confident | 85.1 | Confident | 79 Ų | 79 | 57 Ų | 57 | 48% | 0.479 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -59.5 | -42 | -177 | -174.5 | 0 | 0 | 0 | 0 | 111.4 | V781 V843 K847 N848 | V781-V845 HydrophobicContact CG2-CG2 4.02Å; V843-V845 HydrophobicContact CG1-CG2 4.05Å; V845-K847 PolarHBondContact O-N 3.09Å; V845-N848 PolarHBondContact O-N 3.26Å; V845-N848 VanDerWaalsContact O-N 3.09Å |
| 846 | S | 71 | Confident | 83.8 | Confident | 109 Ų | 109 | 63.2 Ų | 63.2 | 76% | 0.762 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -62.9 | -27.9 | -177.5 | 69 | 0 | 0 | 0 | 0 | 114.1 | N844 | N844-S846 VanDerWaalsContact C-N 3.32Å; N844-S846 PolarHBondContact O-N 3.44Å; N844-S846 PolarHBondContact OD1-N 3.01Å; N844-S846 PolarHBondContact OD1-OG 2.63Å |
| 847 | K | 70.2 | Confident | 82.1 | Confident | 137 Ų | 137 | 65 Ų | 65 | 60% | 0.596 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -105.9 | 2.2 | 177.9 | -64.9 | -173.3 | 178.2 | -178.8 | 0 | 112.8 | N844 V845 R849 | N844-K847 PolarHBondContact O-N 2.8Å; N844-K847 PolarHBondContact OD1-N 2.89Å; V845-K847 PolarHBondContact O-N 3.09Å; K847-R849 HydrophobicContact CB-CB 4.46Å; K847-R849 HydrophobicContact CB-CG 4.08Å; K847-R849 WeakPolarHBondContact O-CG 3.43Å; K847-R849 PolarHBondContact O-N 3.12Å |
| 848 | N | 73.8 | Confident | 79.6 | Confident | 92 Ų | 92 | 62.9 Ų | 62.9 | 49% | 0.492 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 42.7 | -171.3 | -159.1 | 18.9 | 0 | 0 | 0 | 112.9 | C779 N844 V845 | C779-N848 WeakPolarHBondContact CB-OD1 3.28Å; C779-N848 PolarHBondContact SG-OD1 3.11Å; N844-N848 PolarHBondContact O-N 2.73Å; V845-N848 PolarHBondContact O-N 3.26Å; V845-N848 VanDerWaalsContact O-N 3.09Å |
| 849 | R | 77.9 | Confident | 76.8 | Confident | 172 Ų | 172 | 68.8 Ų | 68.8 | 65% | 0.649 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 136.5 | -176.7 | -73.7 | -176.8 | -177.7 | -169.1 | -1.8 | 111.4 | N844 K847 | N844-R849 HydrophobicContact CB-CB 4.44Å; N844-R849 PolarHBondContact N-O 2.79Å; N844-R849 PolarHBondContact O-N 3.45Å; K847-R849 HydrophobicContact CB-CB 4.46Å; K847-R849 HydrophobicContact CB-CG 4.08Å; K847-R849 WeakPolarHBondContact O-CG 3.43Å; K847-R849 PolarHBondContact O-N 3.12Å |
| 850 | I | 89.2 | Confident | 73.9 | Confident | 6 Ų | 6 | 77 Ų | 77 | 3% | 0.031 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.4 | 179.4 | -58.1 | -179.8 | 0 | 0 | 0 | 109.3 | L776 I783 L808 G810 L811 V840 V843 L852 | L776-I850 HydrophobicContact CD2-CD1 4.05Å; I783-I850 HydrophobicContact CD1-CD1 4Å; L808-I850 HydrophobicContact CD2-CD1 3.34Å; L808-I850 HydrophobicContact CG-CD1 4.06Å; G810-I850 CarbonylContact C-O 2.97Å; G810-I850 WeakPolarHBondContact CA-O 3.48Å; L811-I850 PolarHBondContact N-O 3.44Å; V840-I850 HydrophobicContact CG1-CG2 3.85Å; V840-I850 HydrophobicContact CG2-CG2 4.11Å; V843-I850 HydrophobicContact CG2-CG1 4.43Å; V843-I850 HydrophobicContact CG2-CG2 4.49Å; I850-L852 HydrophobicContact CG2-CD2 3.67Å; I850-L852 HydrophobicContact CG2-CG 4.26Å |
| 851 | R | 88.4 | Confident | 70.8 | Confident | 132 Ų | 132 | 82.6 Ų | 82.6 | 50% | 0.498 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 133.4 | 171.5 | -170 | 179 | -174.4 | 172.7 | 1.4 | 108.8 | D841 G842 | D841-R851 PolarHBondContact N-O 3.23Å; D841-R851 WeakPolarHBondContact OD2-CD 3.41Å; D841-R851 IonicContact OD2-NE 2.69Å; G842-R851 PolarHBondContact N-O 2.83Å; G842-R851 PolarHBondContact O-N 3.44Å |
| 852 | L | 92.9 | Very high | 67.8 | Low | 0 Ų | 0 | 87.7 Ų | 87.7 | 0% | 0 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 155.2 | -171.5 | -58.9 | 171 | 0 | 0 | 0 | 111.2 | V802 F804 L811 L812 P813 V838 V839 V840 I850 | V802-L852 HydrophobicContact CB-CD1 3.7Å; V802-L852 HydrophobicContact CG1-CD1 4.31Å; V802-L852 HydrophobicContact CG2-CD1 4.09Å; F804-L852 HydrophobicContact CE2-CD1 4.06Å; F804-L852 HydrophobicContact CE2-CD2 4.37Å; F804-L852 HydrophobicContact CZ-CD1 3.94Å; F804-L852 HydrophobicContact CZ-CD2 3.99Å; L811-L852 PolarHBondContact O-N 3.03Å; L812-L852 HydrophobicContact CB-CB 4.24Å; L812-L852 HydrophobicContact CD1-CB 4.2Å; L812-L852 WeakPolarHBondContact CD1-O 2.92Å; P813-L852 VanDerWaalsContact CD-O 3.23Å; P813-L852 WeakPolarHBondContact CD-O 3.36Å; V838-L852 HydrophobicContact CB-CB 4.26Å; V838-L852 HydrophobicContact CB-CD1 4.44Å; V838-L852 HydrophobicContact CB-CD2 4.31Å; V838-L852 HydrophobicContact CG2-CD1 4.06Å; V838-L852 HydrophobicContact CG2-CD2 3.93Å; V838-L852 HydrophobicContact CG2-CG 4.43Å; V839-L852 CarbonylContact O-C 3.54Å; V839-L852 WeakPolarHBondContact O-CA 3.24Å; V840-L852 HydrophobicContact CG2-CD2 4.11Å; I850-L852 HydrophobicContact CG2-CD2 3.67Å; I850-L852 HydrophobicContact CG2-CG 4.26Å |
| 853 | V | 92 | Very high | 64.8 | Low | 27 Ų | 27 | 92 Ų | 92 | 16% | 0.164 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 163.7 | 169.8 | -66.7 | 0 | 0 | 0 | 0 | 110.4 | A816 V838 V839 D841 | A816-V853 HydrophobicContact CB-CB 4.41Å; A816-V853 HydrophobicContact CB-CG1 4.03Å; V838-V853 WeakPolarHBondContact CA-O 3.37Å; V839-V853 HydrophobicContact CB-CG2 3.89Å; V839-V853 HydrophobicContact CG1-CG2 4.5Å; V839-V853 PolarHBondContact N-O 3Å; V839-V853 PolarHBondContact O-N 3.32Å; D841-V853 HydrophobicContact CB-CG1 3.83Å; D841-V853 HydrophobicContact CB-CG2 4.13Å |
| 854 | L | 88.2 | Confident | 61.9 | Low | 14 Ų | 14 | 98.5 Ų | 98.5 | 7% | 0.073 | 53% | 0.531 | C | S | . | . | trans | -84.8 | 146.6 | 178.5 | -72.3 | 173 | 0 | 0 | 0 | 111.8 | L812 L817 A820 I822 I836 V838 T857 | L812-L854 HydrophobicContact CD1-CG 4.32Å; L812-L854 HydrophobicContact CD2-CD2 3.95Å; L812-L854 HydrophobicContact CD2-CG 4.11Å; L817-L854 HydrophobicContact CD2-CD1 3.82Å; A820-L854 HydrophobicContact CB-CB 4.3Å; A820-L854 HydrophobicContact CB-CD1 3.63Å; I822-L854 HydrophobicContact CD1-CD1 3.88Å; I836-L854 HydrophobicContact CG2-CD2 3.81Å; V838-L854 HydrophobicContact CG1-CD2 4.47Å; L854-T857 PolarHBondContact O-OG1 2.96Å | ||
| 855 | P | 72.7 | Confident | 59.1 | Low | 45 Ų | 45 | 101.1 Ų | 101.1 | 29% | 0.292 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 142.9 | 171.1 | -17.2 | 28.7 | 0 | 0 | 0 | 110.9 | R837 V839 | R837-P855 HydrophobicContact CB-CG 4.17Å; R837-P855 HydrophobicContact CG-CG 3.78Å; R837-P855 WeakPolarHBondContact O-CD 3.4Å; V839-P855 HydrophobicContact CG2-CG 4.39Å |
| 856 | N | 64.7 | Low | 56.6 | Low | 165 Ų | 165 | 103.1 Ų | 103.1 | 88% | 0.882 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88 | -7 | -175.5 | -51.3 | -18.7 | 0 | 0 | 0 | 117.1 | A858 | N856-A858 VanDerWaalsContact C-N 3.27Š|
| 857 | T | 56.8 | Low | 54.4 | Low | 48 Ų | 48 | 106.8 Ų | 106.8 | 29% | 0.294 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -87.1 | -0.8 | 162.8 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | D819 A820 L854 T859 | D819-T857 HydrophobicContact CB-CG2 4.21Å; A820-T857 HydrophobicContact CB-CG2 3.91Å; L854-T857 PolarHBondContact O-OG1 2.96Å; T857-T859 PolarHBondContact O-N 3.07Å |
| 858 | A | 39.8 | Very low | 52.3 | Low | 75 Ų | 75 | 109 Ų | 109 | 62% | 0.62 | 58% | 0.579 | S | S | * | * | trans | -97.2 | 69.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N856 | N856-A858 VanDerWaalsContact C-N 3.27Š| ||
| 859 | T | 34.2 | Very low | 49.9 | Very low | 124 Ų | 124 | 111.5 Ų | 111.5 | 76% | 0.761 | 60% | 0.597 | S | S | * | * | trans | -72.5 | 136.7 | 171.9 | -3.4 | 0 | 0 | 0 | 0 | 111.1 | T857 S861 | T857-T859 PolarHBondContact O-N 3.07Å; T859-S861 PolarHBondContact O-N 3.4Å | ||
| 860 | E | 30.1 | Very low | 47.3 | Very low | 191 Ų | 191 | 112 Ų | 112 | 89% | 0.893 | 60% | 0.604 | S | S | * | * | trans | -49 | 111.3 | -174.7 | -61 | 179.5 | 164.2 | 0 | 0 | 113.8 | ||||
| 861 | S | 27.6 | Very low | 44.2 | Very low | 117 Ų | 117 | 117.4 Ų | 117.4 | 82% | 0.818 | 64% | 0.637 | S | S | * | * | trans | -120 | 88.4 | 164.6 | 26.9 | 0 | 0 | 0 | 0 | 108.9 | T859 S863 | T859-S861 PolarHBondContact O-N 3.4Å; S861-S863 PolarHBondContact O-N 3.11Å | ||
| 862 | K | 24.6 | Very low | 41.1 | Very low | 189 Ų | 189 | 120.1 Ų | 120.1 | 82% | 0.822 | 66% | 0.655 | S | S | * | * | trans | -53.6 | 124.3 | 158.7 | -80.5 | 175.7 | 175.7 | 169.9 | 0 | 108.5 | ||||
| 863 | S | 24 | Very low | 37.7 | Very low | 111 Ų | 111 | 125 Ų | 125 | 78% | 0.776 | 69% | 0.689 | S | S | * | * | trans | 20.9 | 100.2 | 152.8 | 60 | 0 | 0 | 0 | 0 | 116.6 | S861 | S861-S863 PolarHBondContact O-N 3.11Š| ||
| 864 | L | 23.5 | Very low | 34.5 | Very low | 168 Ų | 168 | 128.5 Ų | 128.5 | 88% | 0.88 | 71% | 0.714 | S | S | * | * | trans | -146.4 | 106 | 144.7 | -99.6 | 153.1 | 0 | 0 | 0 | 107.6 | T866 | L864-T866 PolarHBondContact O-N 3.35Š| ||
| 865 | T | 22.8 | Very low | 31.6 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | -44.3 | 124.8 | 167.9 | 39.1 | 0 | 0 | 0 | 0 | 111.6 | E867 | T865-E867 PolarHBondContact O-N 2.73Š| ||
| 866 | T | 24.5 | Very low | 29.3 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | 34.1 | 84.6 | 148.7 | 25.4 | 0 | 0 | 0 | 0 | 116.4 | L864 | L864-T866 PolarHBondContact O-N 3.35Š| ||
| 867 | E | 23.7 | Very low | 27.8 | Very low | 186 Ų | 186 | 135.9 Ų | 135.9 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | trans | -139.9 | 116.3 | 139.6 | -73.5 | -160.1 | 161.7 | 0 | 0 | 109.9 | T865 V869 | T865-E867 PolarHBondContact O-N 2.73Å; E867-V869 PolarHBondContact O-N 2.81Å; E867-V869 VanDerWaalsContact O-N 3.1Å | ||
| 868 | H | 26 | Very low | 26.7 | Very low | 184 Ų | 184 | 143 Ų | 143 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | trans | -60.9 | 104.8 | -179.4 | -76.1 | -79.7 | 0 | 0 | 0 | 111.4 | K870 | H868-K870 PolarHBondContact O-N 2.82Š| ||
| 869 | V | 23.4 | Very low | 26.5 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -70.7 | 110 | 163 | 177.6 | 0 | 0 | 0 | 0 | 108.3 | E867 V871 | E867-V869 PolarHBondContact O-N 2.81Å; E867-V869 VanDerWaalsContact O-N 3.1Å; V869-V871 PolarHBondContact O-N 2.96Å | ||
| 870 | K | 23.3 | Very low | 26.8 | Very low | 183 Ų | 183 | 152.1 Ų | 152.1 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | trans | -61.2 | 126.7 | 172.6 | -74.5 | 168.6 | 176.4 | 169.1 | 0 | 109.5 | H868 E872 | H868-K870 PolarHBondContact O-N 2.82Å; K870-E872 PolarHBondContact O-N 2.93Å; K870-E872 VanDerWaalsContact O-N 3.12Å | ||
| 871 | V | 25.9 | Very low | 27.5 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | trans | -61.5 | 107.9 | 153 | 174.4 | 0 | 0 | 0 | 0 | 107.3 | V869 C873 | V869-V871 PolarHBondContact O-N 2.96Å; V871-C873 VanDerWaalsContact C-N 3.26Å; V871-C873 PolarHBondContact O-N 3.22Å; V871-C873 VanDerWaalsContact O-N 3.08Å | ||
| 872 | E | 21.5 | Very low | 28.6 | Very low | 189 Ų | 189 | 147.4 Ų | 147.4 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -68.2 | 87.6 | 157.4 | -73 | -175.1 | 160.9 | 0 | 0 | 107.9 | K870 | K870-E872 PolarHBondContact O-N 2.93Å; K870-E872 VanDerWaalsContact O-N 3.12Å | ||
| 873 | C | 23.1 | Very low | 30.1 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 70% | 0.703 | 75% | 0.747 | S | S | * | * | trans | -84.6 | 123.9 | 142.8 | -83.4 | 0 | 0 | 0 | 0 | 105.4 | V871 | V871-C873 VanDerWaalsContact C-N 3.26Å; V871-C873 PolarHBondContact O-N 3.22Å; V871-C873 VanDerWaalsContact O-N 3.08Å | ||
| 874 | S | 23.7 | Very low | 32.1 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | trans | -20.6 | 130.8 | 173.6 | 47 | 0 | 0 | 0 | 0 | 113.3 | M876 | S874-M876 VanDerWaalsContact C-N 3.27Å; S874-M876 PolarHBondContact O-N 2.9Å | ||
| 875 | P | 28 | Very low | 34.8 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 86% | 0.864 | 69% | 0.692 | S | S | * | * | trans | -72.3 | 78.6 | -163.5 | 32.5 | -36.2 | 0 | 0 | 0 | 111.3 | A877 | P875-A877 PolarHBondContact O-N 2.79Š| ||
| 876 | M | 24.8 | Very low | 37.6 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 78% | 0.778 | 69% | 0.685 | S | S | * | * | trans | -80.3 | 104.9 | 148.3 | -77.9 | -171.6 | 65.3 | 0 | 0 | 105.8 | S874 K878 | S874-M876 VanDerWaalsContact C-N 3.27Å; S874-M876 PolarHBondContact O-N 2.9Å; M876-K878 PolarHBondContact O-N 3Å; M876-K878 VanDerWaalsContact O-N 3.08Å | ||
| 877 | A | 31.7 | Very low | 40.6 | Very low | 88 Ų | 88 | 131.3 Ų | 131.3 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | trans | -37.9 | 115.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P875 Q879 | P875-A877 PolarHBondContact O-N 2.79Å; A877-Q879 PolarHBondContact O-N 2.89Å | ||
| 878 | K | 34.9 | Very low | 43.7 | Very low | 196 Ų | 196 | 123.7 Ų | 123.7 | 85% | 0.852 | 63% | 0.632 | S | S | * | * | trans | -65.4 | 71.5 | 172.4 | -74 | -179.9 | 179 | 172.9 | 0 | 109.6 | M876 R880 | M876-K878 PolarHBondContact O-N 3Å; M876-K878 VanDerWaalsContact O-N 3.08Å; K878-R880 PolarHBondContact O-N 2.92Å; K878-R880 VanDerWaalsContact O-N 3.09Å | ||
| 879 | Q | 35.7 | Very low | 46.6 | Very low | 154 Ų | 154 | 117 Ų | 117 | 72% | 0.72 | 60% | 0.604 | S | S | * | * | trans | -74 | 98.8 | 166.6 | -157.8 | 166 | 7.3 | 0 | 0 | 106 | A877 C881 | A877-Q879 PolarHBondContact O-N 2.89Å; Q879-C881 PolarHBondContact O-N 3.1Å | ||
| 880 | R | 40.1 | Very low | 49.8 | Very low | 238 Ų | 238 | 110.5 Ų | 110.5 | 90% | 0.898 | 57% | 0.566 | S | S | * | * | trans | -55.4 | 103.8 | 169.8 | -84.3 | 179.1 | 171 | 171.7 | -2.6 | 107.3 | K878 K882 | K878-R880 PolarHBondContact O-N 2.92Å; K878-R880 VanDerWaalsContact O-N 3.09Å; R880-K882 PolarHBondContact O-N 2.6Å | ||
| 881 | C | 44.4 | Very low | 53.1 | Low | 34 Ų | 34 | 106 Ų | 106 | 23% | 0.23 | 55% | 0.548 | C | S | . | . | trans | -59.3 | 107.7 | 170.9 | -105.8 | 0 | 0 | 0 | 0 | 107.7 | Q879 F908 V945 | Q879-C881 PolarHBondContact O-N 3.1Å; C881-F908 HydrophobicContact CB-CZ 4.43Å; C881-F908 VanDerWaalsContact SG-CE2 3.57Å; C881-V945 HydrophobicContact CB-CG1 4.36Å; C881-V945 WeakPolarHBondContact O-CG1 3.43Å | ||
| 882 | K | 51.7 | Low | 56.2 | Low | 175 Ų | 175 | 100.4 Ų | 100.4 | 76% | 0.761 | 51% | 0.514 | S | S | * | . | trans | -67.4 | 151.8 | 161.2 | -72.1 | -179.1 | 177.6 | 178.6 | 0 | 107.2 | R880 D884 | R880-K882 PolarHBondContact O-N 2.6Å; K882-D884 PolarHBondContact O-N 3.16Å | ||
| 883 | P | 55.3 | Low | 59.5 | Low | 48 Ų | 48 | 93.8 Ų | 93.8 | 31% | 0.312 | 49% | 0.486 | S | S | . | . | trans | -55.3 | 106.4 | 168.7 | -16.6 | 28.3 | 0 | 0 | 0 | 108 | F885 V945 | P883-F885 HydrophobicContact CB-CE2 4.11Å; P883-V945 HydrophobicContact CG-CG2 4.21Å | ||
| 884 | D | 67.1 | Low | 62.6 | Low | 57 Ų | 57 | 90.2 Ų | 90.2 | 31% | 0.305 | 46% | 0.464 | S | S | . | . | trans | -90.7 | 109 | 174.7 | -162 | 4.2 | 0 | 0 | 0 | 105.1 | K882 R886 | K882-D884 PolarHBondContact O-N 3.16Å; D884-R886 VanDerWaalsContact CG-CD 3.45Å; D884-R886 PolarHBondContact O-N 3Å; D884-R886 VanDerWaalsContact OD1-CD 3.23Å; D884-R886 WeakPolarHBondContact OD1-CD 3.26Å; D884-R886 VanDerWaalsContact OD1-CG 3.24Å; D884-R886 WeakPolarHBondContact OD1-CG 3.46Å; D884-R886 IonicContact OD1-CZ 2.93Å; D884-R886 IonicContact OD1-NE 2.64Å; D884-R886 PolarHBondContact OD1-NE 2.76Å; D884-R886 WeakPolarHBondContact OD2-CD 3.31Å; D884-R886 IonicContact OD2-CZ 3.2Å; D884-R886 IonicContact OD2-NE 3.22Å; D884-R886 PolarHBondContact OD2-NE 3.18Å; D884-R886 IonicContact OD2-NH1 2.99Å | ||
| 885 | F | 79.1 | Confident | 65.7 | Low | 46 Ų | 46 | 87.9 Ų | 87.9 | 20% | 0.202 | 45% | 0.445 | C | S | . | . | trans | -74.4 | 57.9 | 178.9 | -70.3 | -95.1 | 0 | 0 | 0 | 109.6 | P883 V961 K968 P997 | P883-F885 HydrophobicContact CB-CE2 4.11Å; F885-V961 HydrophobicContact CB-CG1 4.44Å; F885-V961 WeakPolarHBondContact O-CG1 3.38Å; F885-K968 HydrophobicContact CB-CD 4.27Å; F885-K968 HydrophobicContact CB-CG 4.5Å; F885-K968 HydrophobicContact CD1-CB 4.29Å; F885-K968 HydrophobicContact CD1-CD 4.38Å; F885-K968 HydrophobicContact CD1-CG 3.71Å; F885-K968 HydrophobicContact CD2-CB 4.02Å; F885-K968 HydrophobicContact CD2-CD 3.94Å; F885-K968 HydrophobicContact CD2-CG 3.87Å; F885-K968 HydrophobicContact CE1-CB 3.87Å; F885-K968 HydrophobicContact CE1-CG 3.77Å; F885-K968 HydrophobicContact CE2-CB 3.58Å; F885-K968 HydrophobicContact CE2-CD 4.37Å; F885-K968 HydrophobicContact CE2-CG 3.93Å; F885-K968 HydrophobicContact CG-CB 4.36Å; F885-K968 HydrophobicContact CG-CD 3.94Å; F885-K968 HydrophobicContact CG-CG 3.76Å; F885-K968 HydrophobicContact CZ-CB 3.51Å; F885-K968 HydrophobicContact CZ-CG 3.89Å; F885-P997 HydrophobicContact CD1-CB 4.45Å; F885-P997 HydrophobicContact CE1-CB 4.09Å; F885-P997 WeakPolarHBondContact CE1-O 3.46Å | ||
| 886 | R | 82.3 | Confident | 68.7 | Low | 161 Ų | 161 | 84.6 Ų | 84.6 | 61% | 0.608 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -125.4 | 155.8 | -179 | -69 | -176.9 | -159 | -174.3 | -10.6 | 109.4 | D884 H888 | D884-R886 VanDerWaalsContact CG-CD 3.45Å; D884-R886 PolarHBondContact O-N 3Å; D884-R886 VanDerWaalsContact OD1-CD 3.23Å; D884-R886 WeakPolarHBondContact OD1-CD 3.26Å; D884-R886 VanDerWaalsContact OD1-CG 3.24Å; D884-R886 WeakPolarHBondContact OD1-CG 3.46Å; D884-R886 IonicContact OD1-CZ 2.93Å; D884-R886 IonicContact OD1-NE 2.64Å; D884-R886 PolarHBondContact OD1-NE 2.76Å; D884-R886 WeakPolarHBondContact OD2-CD 3.31Å; D884-R886 IonicContact OD2-CZ 3.2Å; D884-R886 IonicContact OD2-NE 3.22Å; D884-R886 PolarHBondContact OD2-NE 3.18Å; D884-R886 IonicContact OD2-NH1 2.99Å; R886-H888 PolarHBondContact O-CD2 2.92Å |
| 887 | V | 87 | Confident | 71.4 | Confident | 62 Ų | 62 | 82.8 Ų | 82.8 | 38% | 0.376 | 42% | 0.419 | S | S | . | . | trans | -93.9 | 119.8 | 173 | -177.3 | 0 | 0 | 0 | 0 | 107.6 | G939 V941 V958 V961 A962 | V887-G939 VanDerWaalsContact CG1-CA 3.46Å; V887-V941 HydrophobicContact CG2-CG2 4.23Å; V887-V958 HydrophobicContact CG1-CG1 3.91Å; V887-V958 HydrophobicContact CG2-CG1 3.99Å; V887-V961 HydrophobicContact CG2-CG1 4.35Å; V887-A962 HydrophobicContact CG2-CB 4.12Å | ||
| 888 | H | 88.4 | Confident | 74.1 | Confident | 25 Ų | 25 | 81.6 Ų | 81.6 | 12% | 0.116 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 164.1 | -178.5 | -61.9 | -85.1 | 0 | 0 | 0 | 111.5 | R886 L904 G939 L940 | R886-H888 PolarHBondContact O-CD2 2.92Å; H888-L904 HydrophobicContact CB-CD2 3.84Å; H888-G939 PolarHBondContact O-N 2.82Å; H888-L940 HydrophobicContact CB-CB 4.3Å; H888-L940 PolarHBondContact N-O 3.14Å; H888-L940 PolarHBondContact O-N 3.18Å |
| 889 | T | 88.1 | Confident | 76.8 | Confident | 45 Ų | 45 | 72.2 Ų | 72.2 | 28% | 0.276 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 156.6 | 159.1 | 83.2 | 0 | 0 | 0 | 0 | 110.2 | E905 L937 K938 | T889-E905 WeakPolarHBondContact CB-OE1 3.44Å; T889-E905 PolarHBondContact O-N 3.1Å; T889-E905 PolarHBondContact OG1-OE1 3.07Å; T889-L937 CarbonylContact C-O 3.53Å; T889-L937 VanDerWaalsContact CA-O 3.26Å; T889-L937 WeakPolarHBondContact CA-O 3.39Å; T889-L937 WeakPolarHBondContact CB-O 3.49Å; T889-K938 HydrophobicContact CG2-CB 4.47Å; T889-K938 HydrophobicContact CG2-CG 4.08Å |
| 890 | G | 89.8 | Confident | 79.5 | Confident | 5 Ų | 5 | 64.9 Ų | 64.9 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 164.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | R903 C936 L937 | G890-R903 CarbonylContact C-O 3.56Å; G890-R903 WeakPolarHBondContact CA-O 3.5Å; G890-C936 CarbonylContact O-C 3.52Å; G890-L937 PolarHBondContact N-O 3.2Å; G890-L937 PolarHBondContact O-N 3.04Å |
| 891 | E | 92.2 | Very high | 81.9 | Confident | 90 Ų | 90 | 56.7 Ų | 56.7 | 42% | 0.421 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 134.4 | -179.1 | -170.6 | -172.2 | 167.1 | 0 | 0 | 109.9 | V893 V902 R903 D935 | E891-V893 PolarHBondContact O-N 3.21Å; E891-V902 CarbonylContact O-C 3.6Å; E891-V902 WeakPolarHBondContact O-CA 3.49Å; E891-R903 PolarHBondContact N-O 3.47Å; E891-R903 PolarHBondContact O-N 3.28Å; E891-D935 CarbonylContact C-O 3.42Å; E891-D935 WeakPolarHBondContact CA-O 3.49Å |
| 892 | V | 91.9 | Very high | 84.2 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 118.1 | 175.1 | -180 | 0 | 0 | 0 | 0 | 109.5 | V895 L900 Q901 P933 G934 D935 L937 | V892-V895 HydrophobicContact CG1-CG2 3.69Å; V892-L900 HydrophobicContact CG2-CD1 4.42Å; V892-Q901 CarbonylContact C-O 3.6Å; V892-P933 CarbonylContact O-C 3.57Å; V892-P933 WeakPolarHBondContact O-CA 3.39Å; V892-G934 PolarHBondContact O-N 3.26Å; V892-D935 HydrophobicContact CB-CB 4.35Å; V892-D935 HydrophobicContact CG2-CB 3.98Å; V892-D935 PolarHBondContact N-O 3.35Å; V892-L937 HydrophobicContact CG2-CD1 3.57Å; V892-L937 HydrophobicContact CG2-CD2 3.93Å; V892-L937 HydrophobicContact CG2-CG 3.67Å |
| 893 | V | 89.2 | Confident | 86.1 | Confident | 49 Ų | 49 | 51.2 Ų | 51.2 | 30% | 0.297 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -42.8 | 176.4 | -178 | 0 | 0 | 0 | 0 | 110.8 | E891 Q901 R903 | E891-V893 PolarHBondContact O-N 3.21Å; V893-Q901 HydrophobicContact CB-CB 4.36Å; V893-Q901 PolarHBondContact N-O 3.24Å; V893-R903 HydrophobicContact CG2-CB 3.57Å |
| 894 | A | 89 | Confident | 87.6 | Confident | 29 Ų | 29 | 49.1 Ų | 49.1 | 24% | 0.24 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 148.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q901 | A894-Q901 HydrophobicContact CB-CB 4.09Å; A894-Q901 HydrophobicContact CB-CG 4.35Å; A894-Q901 PolarHBondContact N-O 2.8Å; A894-Q901 PolarHBondContact O-N 2.79Å |
| 895 | V | 89.4 | Confident | 88.2 | Confident | 52 Ų | 52 | 53.1 Ų | 53.1 | 32% | 0.315 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.8 | 177.6 | -177.9 | 0 | 0 | 0 | 0 | 107.2 | V892 L900 V928 Y931 P933 | V892-V895 HydrophobicContact CG1-CG2 3.69Å; V895-L900 HydrophobicContact CB-CD2 4.27Å; V895-L900 HydrophobicContact CG1-CD2 3.9Å; V895-L900 HydrophobicContact CG2-CD2 4.01Å; V895-V928 HydrophobicContact CG1-CG1 3.98Å; V895-Y931 WeakPolarHBondContact CG2-O 3.27Å; V895-P933 HydrophobicContact CG2-CG 4.39Å |
| 896 | E | 90.2 | Very high | 88.1 | Confident | 63 Ų | 63 | 54.3 Ų | 54.3 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 154.3 | 178.4 | -65.6 | 172.3 | -171.2 | 0 | 0 | 109.4 | S898 G899 Q901 Y911 V928 | E896-S898 PolarHBondContact O-N 3.23Å; E896-G899 CarbonylContact C-O 3.6Å; E896-G899 PolarHBondContact N-O 3.3Å; E896-G899 PolarHBondContact O-N 2.94Å; E896-Q901 PolarHBondContact OE1-NE2 3.19Å; E896-Y911 WeakPolarHBondContact OE2-CE2 3.3Å; E896-Y911 PolarHBondContact OE2-OH 2.91Å; E896-V928 WeakPolarHBondContact O-CG1 3.4Å |
| 897 | P | 82.5 | Confident | 87.9 | Confident | 121 Ų | 121 | 52.1 Ų | 52.1 | 79% | 0.786 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -24.8 | 175.4 | -25.5 | 34.5 | 0 | 0 | 0 | 114 | ||
| 898 | S | 87.9 | Confident | 87.5 | Confident | 62 Ų | 62 | 52.5 Ų | 52.5 | 43% | 0.434 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -8.7 | 177.9 | 45.6 | 0 | 0 | 0 | 0 | 114.7 | E896 Y911 K914 | E896-S898 PolarHBondContact O-N 3.23Å; S898-Y911 VanDerWaalsContact C-OH 3.3Å; S898-Y911 WeakPolarHBondContact CB-OH 3.45Å; S898-Y911 PolarHBondContact OG-OH 2.88Å; S898-K914 PolarHBondContact O-N 3.42Å |
| 899 | G | 91.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.5 | -163.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | E896 Y911 V912 | E896-G899 CarbonylContact C-O 3.6Å; E896-G899 PolarHBondContact N-O 3.3Å; E896-G899 PolarHBondContact O-N 2.94Å; G899-Y911 PolarHBondContact N-OH 2.86Å; G899-V912 CarbonylContact C-O 3.5Å; G899-V912 WeakPolarHBondContact CA-O 3.4Å |
| 900 | L | 92.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 131.6 | -176.5 | -52 | 177.7 | 0 | 0 | 0 | 110.9 | V892 V895 V902 Y911 V912 L917 V928 Y931 L937 | V892-L900 HydrophobicContact CG2-CD1 4.42Å; V895-L900 HydrophobicContact CB-CD2 4.27Å; V895-L900 HydrophobicContact CG1-CD2 3.9Å; V895-L900 HydrophobicContact CG2-CD2 4.01Å; L900-V902 HydrophobicContact CB-CG2 3.92Å; L900-Y911 CarbonylContact O-C 3.58Å; L900-Y911 WeakPolarHBondContact O-CA 3.1Å; L900-V912 HydrophobicContact CB-CB 4.39Å; L900-V912 PolarHBondContact N-O 2.91Å; L900-V912 PolarHBondContact O-N 2.87Å; L900-L917 HydrophobicContact CD1-CD2 3.69Å; L900-L917 HydrophobicContact CG-CD2 4.34Å; L900-V928 HydrophobicContact CD2-CG1 4.35Å; L900-Y931 HydrophobicContact CD1-CD1 4.47Å; L900-Y931 HydrophobicContact CD1-CD2 3.61Å; L900-Y931 HydrophobicContact CD1-CE2 4.02Å; L900-Y931 HydrophobicContact CD1-CG 3.84Å; L900-Y931 HydrophobicContact CD2-CD2 4.25Å; L900-Y931 HydrophobicContact CD2-CG 4.34Å; L900-L937 HydrophobicContact CD1-CD1 4.06Å |
| 901 | Q | 91.7 | Very high | 87.5 | Confident | 65 Ų | 65 | 54.4 Ų | 54.4 | 30% | 0.304 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 127 | 161.9 | -67.9 | -172.5 | 12.4 | 0 | 0 | 108.9 | V892 V893 A894 E896 G910 Y911 | V892-Q901 CarbonylContact C-O 3.6Å; V893-Q901 HydrophobicContact CB-CB 4.36Å; V893-Q901 PolarHBondContact N-O 3.24Å; A894-Q901 HydrophobicContact CB-CB 4.09Å; A894-Q901 HydrophobicContact CB-CG 4.35Å; A894-Q901 PolarHBondContact N-O 2.8Å; A894-Q901 PolarHBondContact O-N 2.79Å; E896-Q901 PolarHBondContact OE1-NE2 3.19Å; Q901-G910 WeakPolarHBondContact CA-O 3.25Å; Q901-Y911 HydrophobicContact CG-CD2 3.84Å; Q901-Y911 HydrophobicContact CG-CE2 4.07Å |
| 902 | V | 92.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 132 | -171.2 | -176 | 0 | 0 | 0 | 0 | 110.2 | E891 L900 V909 G910 V912 L937 L940 F951 | E891-V902 CarbonylContact O-C 3.6Å; E891-V902 WeakPolarHBondContact O-CA 3.49Å; L900-V902 HydrophobicContact CB-CG2 3.92Å; V902-V909 CarbonylContact O-C 3.58Å; V902-V909 WeakPolarHBondContact O-CA 3.41Å; V902-G910 PolarHBondContact N-O 2.9Å; V902-G910 PolarHBondContact O-N 2.79Å; V902-V912 HydrophobicContact CG2-CG2 3.9Å; V902-L937 HydrophobicContact CB-CD1 4.49Å; V902-L937 HydrophobicContact CG1-CD1 4.06Å; V902-L937 HydrophobicContact CG2-CD1 3.56Å; V902-L940 HydrophobicContact CG1-CD1 3.66Å; V902-F951 HydrophobicContact CB-CD2 4.27Å; V902-F951 HydrophobicContact CB-CE2 4.46Å |
| 903 | R | 90.7 | Very high | 87.5 | Confident | 95 Ų | 95 | 51 Ų | 51 | 36% | 0.358 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 117.3 | 173 | -173.8 | -175.9 | -60.7 | 137.3 | 0.8 | 109.5 | G890 E891 V893 F908 V909 | G890-R903 CarbonylContact C-O 3.56Å; G890-R903 WeakPolarHBondContact CA-O 3.5Å; E891-R903 PolarHBondContact N-O 3.47Å; E891-R903 PolarHBondContact O-N 3.28Å; V893-R903 HydrophobicContact CG2-CB 3.57Å; R903-F908 WeakPolarHBondContact CA-O 3.44Å; R903-V909 HydrophobicContact CB-CG2 4.14Å; R903-V909 HydrophobicContact CG-CG2 4.1Å |
| 904 | L | 87.4 | Confident | 87.6 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 163.6 | 174.2 | -63.6 | -177.4 | 0 | 0 | 0 | 111.7 | H888 N906 N907 F908 L940 I942 F951 | H888-L904 HydrophobicContact CB-CD2 3.84Å; L904-N906 WeakPolarHBondContact CB-OD1 3.21Å; L904-N906 PolarHBondContact O-N 3.23Å; L904-N907 WeakPolarHBondContact O-CA 3.47Å; L904-N907 PolarHBondContact O-N 3.27Å; L904-F908 PolarHBondContact N-O 3.18Å; L904-L940 HydrophobicContact CD2-CB 4.16Å; L904-L940 HydrophobicContact CD2-CD1 3.71Å; L904-I942 HydrophobicContact CD1-CD1 4.02Å; L904-I942 HydrophobicContact CD1-CG1 4.35Å; L904-F951 HydrophobicContact CD1-CE1 3.88Å; L904-F951 HydrophobicContact CD1-CE2 4.09Å; L904-F951 HydrophobicContact CD1-CZ 3.48Å; L904-F951 VanDerWaalsContact CD1-CZ 3.48Å; L904-F951 HydrophobicContact CD2-CE2 4.08Å; L904-F951 HydrophobicContact CD2-CZ 4.3Å; L904-F951 HydrophobicContact CG-CE1 4.49Å; L904-F951 HydrophobicContact CG-CE2 3.8Å; L904-F951 HydrophobicContact CG-CZ 3.69Å |
| 905 | E | 80.8 | Confident | 87.6 | Confident | 140 Ų | 140 | 52.7 Ų | 52.7 | 65% | 0.654 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -29.1 | 175.7 | -67.9 | 168.4 | -153.1 | 0 | 0 | 114.2 | T889 N907 | T889-E905 WeakPolarHBondContact CB-OE1 3.44Å; T889-E905 PolarHBondContact O-N 3.1Å; T889-E905 PolarHBondContact OG1-OE1 3.07Å; E905-N907 PolarHBondContact O-N 3.36Å |
| 906 | N | 75.4 | Confident | 87.8 | Confident | 71 Ų | 71 | 50.8 Ų | 50.8 | 38% | 0.38 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 18.4 | 177.5 | 61.4 | 3.3 | 0 | 0 | 0 | 113.3 | L904 F908 | L904-N906 WeakPolarHBondContact CB-OD1 3.21Å; L904-N906 PolarHBondContact O-N 3.23Å; N906-F908 HydrophobicContact CB-CD2 4.23Å; N906-F908 VanDerWaalsContact CG-CD2 3.48Å; N906-F908 PolarHBondContact O-N 3.01Å; N906-F908 WeakPolarHBondContact OD1-CD2 3.31Å; N906-F908 PolarHBondContact OD1-N 2.91Å |
| 907 | N | 77.8 | Confident | 87.7 | Confident | 116 Ų | 116 | 48.3 Ų | 48.3 | 62% | 0.62 | 25% | 0.249 | S | C | * | . | S | Bend | trans | 61.1 | 13.1 | -177.7 | -74.3 | -34.6 | 0 | 0 | 0 | 115.8 | L904 E905 | L904-N907 WeakPolarHBondContact O-CA 3.47Å; L904-N907 PolarHBondContact O-N 3.27Å; E905-N907 PolarHBondContact O-N 3.36Å |
| 908 | F | 80.2 | Confident | 88.1 | Confident | 69 Ų | 69 | 42.5 Ų | 42.5 | 30% | 0.303 | 21% | 0.212 | S | C | . | . | trans | -78.3 | 123.2 | 172 | -81.5 | -86.8 | 0 | 0 | 0 | 110.9 | C881 R903 L904 N906 | C881-F908 HydrophobicContact CB-CZ 4.43Å; C881-F908 VanDerWaalsContact SG-CE2 3.57Å; R903-F908 WeakPolarHBondContact CA-O 3.44Å; L904-F908 PolarHBondContact N-O 3.18Å; N906-F908 HydrophobicContact CB-CD2 4.23Å; N906-F908 VanDerWaalsContact CG-CD2 3.48Å; N906-F908 PolarHBondContact O-N 3.01Å; N906-F908 WeakPolarHBondContact OD1-CD2 3.31Å; N906-F908 PolarHBondContact OD1-N 2.91Å | ||
| 909 | V | 84.9 | Confident | 88.1 | Confident | 65 Ų | 65 | 39.7 Ų | 39.7 | 39% | 0.394 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 125.9 | 173.5 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | V902 R903 P949 | V902-V909 CarbonylContact O-C 3.58Å; V902-V909 WeakPolarHBondContact O-CA 3.41Å; R903-V909 HydrophobicContact CB-CG2 4.14Å; R903-V909 HydrophobicContact CG-CG2 4.1Å; V909-P949 WeakPolarHBondContact O-CD 3.49Å; V909-P949 WeakPolarHBondContact O-CG 3.32Å |
| 910 | G | 88.1 | Confident | 87.9 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | -171.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q901 V902 P949 | Q901-G910 WeakPolarHBondContact CA-O 3.25Å; V902-G910 PolarHBondContact N-O 2.9Å; V902-G910 PolarHBondContact O-N 2.79Å; G910-P949 CarbonylContact C-O 3.51Å; G910-P949 WeakPolarHBondContact CA-O 3.43Å |
| 911 | Y | 92.5 | Very high | 87.5 | Confident | 45 Ų | 45 | 41.1 Ų | 41.1 | 18% | 0.176 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 131.7 | -172.6 | -161.8 | -105.2 | 0 | 0 | 0 | 111.4 | E896 S898 G899 L900 Q901 P913 P949 F951 | E896-Y911 WeakPolarHBondContact OE2-CE2 3.3Å; E896-Y911 PolarHBondContact OE2-OH 2.91Å; S898-Y911 VanDerWaalsContact C-OH 3.3Å; S898-Y911 WeakPolarHBondContact CB-OH 3.45Å; S898-Y911 PolarHBondContact OG-OH 2.88Å; G899-Y911 PolarHBondContact N-OH 2.86Å; L900-Y911 CarbonylContact O-C 3.58Å; L900-Y911 WeakPolarHBondContact O-CA 3.1Å; Q901-Y911 HydrophobicContact CG-CD2 3.84Å; Q901-Y911 HydrophobicContact CG-CE2 4.07Å; Y911-P913 HydrophobicContact CD1-CG 3.92Å; Y911-P913 HydrophobicContact CE1-CB 4.38Å; Y911-P913 HydrophobicContact CE1-CG 4.23Å; Y911-P913 WeakPolarHBondContact O-CD 3.42Å; Y911-P949 PolarHBondContact N-O 2.9Å; Y911-F951 PolarHBondContact O-N 2.84Å |
| 912 | V | 92.7 | Very high | 87 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 100.7 | 169.5 | -174.2 | 0 | 0 | 0 | 0 | 107.5 | G899 L900 V902 H916 L917 L940 F951 M953 | G899-V912 CarbonylContact C-O 3.5Å; G899-V912 WeakPolarHBondContact CA-O 3.4Å; L900-V912 HydrophobicContact CB-CB 4.39Å; L900-V912 PolarHBondContact N-O 2.91Å; L900-V912 PolarHBondContact O-N 2.87Å; V902-V912 HydrophobicContact CG2-CG2 3.9Å; V912-H916 HydrophobicContact CG1-CB 4.12Å; V912-L917 HydrophobicContact CB-CD2 4.47Å; V912-L917 HydrophobicContact CG1-CD2 3.61Å; V912-L917 HydrophobicContact CG1-CG 4.16Å; V912-L940 HydrophobicContact CG2-CD2 3.69Å; V912-F951 HydrophobicContact CG2-CB 3.54Å; V912-F951 HydrophobicContact CG2-CD2 4.35Å; V912-F951 HydrophobicContact CG2-CG 4.49Å; V912-M953 HydrophobicContact CG1-CG 4.33Å |
| 913 | P | 92.2 | Very high | 86.6 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 14% | 0.136 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 151.8 | 171.7 | -21 | 30.3 | 0 | 0 | 0 | 110.8 | Y911 E915 H916 L950 | Y911-P913 HydrophobicContact CD1-CG 3.92Å; Y911-P913 HydrophobicContact CE1-CB 4.38Å; Y911-P913 HydrophobicContact CE1-CG 4.23Å; Y911-P913 WeakPolarHBondContact O-CD 3.42Å; P913-E915 VanDerWaalsContact CB-OE2 3.27Å; P913-E915 WeakPolarHBondContact CB-OE2 3.49Å; P913-E915 PolarHBondContact O-N 2.8Å; P913-E915 VanDerWaalsContact O-N 3.15Å; P913-H916 WeakPolarHBondContact O-CA 3.43Å; P913-H916 WeakPolarHBondContact O-CB 3.4Å; P913-H916 PolarHBondContact O-N 2.78Å; P913-L950 HydrophobicContact CG-CD1 3.37Å |
| 914 | K | 90.8 | Very high | 86.4 | Confident | 50 Ų | 50 | 40.5 Ų | 40.5 | 22% | 0.217 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -55.9 | -35.4 | -179.5 | 66.4 | 177.1 | -172.2 | 170.3 | 0 | 113 | S898 H916 L917 S924 D925 V928 | S898-K914 PolarHBondContact O-N 3.42Å; K914-H916 PolarHBondContact O-N 3.46Å; K914-H916 VanDerWaalsContact O-N 3.14Å; K914-L917 PolarHBondContact O-N 3.35Å; K914-S924 WeakPolarHBondContact O-CB 3.46Å; K914-D925 WeakPolarHBondContact CD-OD1 3.38Å; K914-D925 IonicContact NZ-OD1 3.38Å; K914-D925 PolarHBondContact NZ-OD1 3.05Å; K914-D925 IonicContact NZ-OD2 3.54Å; K914-D925 PolarHBondContact NZ-OD2 2.82Å; K914-V928 HydrophobicContact CB-CG2 3.56Å |
| 915 | E | 89.6 | Confident | 86.4 | Confident | 63 Ų | 63 | 43.9 Ų | 43.9 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -67.3 | -17.1 | 179.2 | -53.2 | 76.1 | -163.9 | 0 | 0 | 112.1 | P913 L921 K954 | P913-E915 VanDerWaalsContact CB-OE2 3.27Å; P913-E915 WeakPolarHBondContact CB-OE2 3.49Å; P913-E915 PolarHBondContact O-N 2.8Å; P913-E915 VanDerWaalsContact O-N 3.15Å; E915-L921 HydrophobicContact CB-CD2 3.93Å; E915-L921 VanDerWaalsContact O-CD2 3.24Å; E915-L921 WeakPolarHBondContact O-CD2 3.36Å; E915-K954 WeakPolarHBondContact O-CE 3.45Å; E915-K954 PolarHBondContact O-NZ 2.79Å |
| 916 | H | 92 | Very high | 86.4 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -96.6 | 1.3 | -179.5 | -82.7 | -87.7 | 0 | 0 | 0 | 114.3 | V912 P913 K914 T952 M953 K954 Y982 | V912-H916 HydrophobicContact CG1-CB 4.12Å; P913-H916 WeakPolarHBondContact O-CA 3.43Å; P913-H916 WeakPolarHBondContact O-CB 3.4Å; P913-H916 PolarHBondContact O-N 2.78Å; K914-H916 PolarHBondContact O-N 3.46Å; K914-H916 VanDerWaalsContact O-N 3.14Å; H916-T952 VanDerWaalsContact ND1-CB 3.34Å; H916-T952 WeakPolarHBondContact ND1-CB 3.44Å; H916-T952 PolarHBondContact ND1-OG1 3.08Å; H916-M953 CarbonylContact O-C 3.55Å; H916-M953 WeakPolarHBondContact O-CA 3.39Å; H916-M953 PolarHBondContact O-N 2.82Å; H916-K954 PolarHBondContact O-N 3.41Å; H916-Y982 AromaticContact CE1-CD1 3.88Å; H916-Y982 AromaticContact CE1-CD2 3.79Å; H916-Y982 AromaticContact CE1-CE1 3.63Å; H916-Y982 AromaticContact CE1-CE2 3.49Å; H916-Y982 VanDerWaalsContact CE1-CE2 3.49Å; H916-Y982 WeakPolarHBondContact CE1-CE2 3.27Å; H916-Y982 AromaticContact CE1-CG 3.97Å; H916-Y982 AromaticContact CE1-CZ 3.4Å; H916-Y982 VanDerWaalsContact CE1-CZ 3.4Å; H916-Y982 AromaticContact NE2-CD2 3.84Å; H916-Y982 AromaticContact NE2-CE2 3.39Å; H916-Y982 WeakPolarHBondContact NE2-CE2 3.48Å; H916-Y982 AromaticContact NE2-CZ 3.67Å |
| 917 | L | 89.7 | Confident | 87 | Confident | 11 Ų | 11 | 35.4 Ų | 35.4 | 6% | 0.058 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -77.5 | -36.9 | 178.3 | -68.6 | 172.2 | 0 | 0 | 0 | 113.3 | L900 V912 K914 V928 Y931 M953 | L900-L917 HydrophobicContact CD1-CD2 3.69Å; L900-L917 HydrophobicContact CG-CD2 4.34Å; V912-L917 HydrophobicContact CB-CD2 4.47Å; V912-L917 HydrophobicContact CG1-CD2 3.61Å; V912-L917 HydrophobicContact CG1-CG 4.16Å; K914-L917 PolarHBondContact O-N 3.35Å; L917-V928 HydrophobicContact CD1-CB 4.39Å; L917-V928 HydrophobicContact CD1-CG2 3.36Å; L917-Y931 HydrophobicContact CD2-CE2 4.38Å; L917-M953 HydrophobicContact CD2-SD 3.9Å |
| 918 | T | 90.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -143.4 | 162.6 | -171.8 | 174.8 | 0 | 0 | 0 | 0 | 111.8 | S920 I923 L927 K954 E1064 | T918-S920 VanDerWaalsContact C-N 3.29Å; T918-S920 WeakPolarHBondContact CG2-O 3.3Å; T918-S920 PolarHBondContact OG1-N 3.27Å; T918-I923 HydrophobicContact CG2-CG1 4.31Å; T918-L927 HydrophobicContact CG2-CD1 3.77Å; T918-K954 PolarHBondContact O-NZ 3.25Å; T918-E1064 VanDerWaalsContact CB-OE1 3.29Å; T918-E1064 WeakPolarHBondContact CB-OE1 3.47Å; T918-E1064 PolarHBondContact OG1-OE1 3.47Å; T918-E1064 PolarHBondContact OG1-OE2 3.4Å | ||
| 919 | D | 88.9 | Confident | 87.7 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.011 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -81.6 | -10.9 | 167.6 | -60.8 | -46.5 | 0 | 0 | 0 | 112.7 | P955 V956 S1022 Q1060 | D919-P955 WeakPolarHBondContact OD2-CD 3.32Å; D919-V956 WeakPolarHBondContact OD1-CG1 3.25Å; D919-V956 PolarHBondContact OD2-N 3.43Å; D919-S1022 WeakPolarHBondContact OD1-CB 3.04Å; D919-S1022 PolarHBondContact OD1-OG 3.37Å; D919-Q1060 PolarHBondContact OD2-NE2 3.14Å; D919-Q1060 PolarHBondContact OD2-OE1 3.26Å |
| 920 | S | 86.6 | Confident | 87.6 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | trans | -105 | 74.2 | 179.2 | -64.6 | 0 | 0 | 0 | 0 | 110.9 | T918 F922 I923 | T918-S920 VanDerWaalsContact C-N 3.29Å; T918-S920 WeakPolarHBondContact CG2-O 3.3Å; T918-S920 PolarHBondContact OG1-N 3.27Å; S920-F922 PolarHBondContact O-N 3.32Å; S920-I923 WeakPolarHBondContact O-CG1 3.24Å; S920-I923 PolarHBondContact O-N 3.21Å | ||
| 921 | L | 83.5 | Confident | 87.6 | Confident | 29 Ų | 29 | 30.4 Ų | 30.4 | 15% | 0.152 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -52 | -29.6 | -172.2 | -65.9 | -170.4 | 0 | 0 | 0 | 115.2 | E915 I923 S924 L1019 V1021 | E915-L921 HydrophobicContact CB-CD2 3.93Å; E915-L921 VanDerWaalsContact O-CD2 3.24Å; E915-L921 WeakPolarHBondContact O-CD2 3.36Å; L921-I923 PolarHBondContact O-N 3.28Å; L921-I923 VanDerWaalsContact O-N 3.1Å; L921-S924 VanDerWaalsContact O-CB 3.31Å; L921-S924 WeakPolarHBondContact O-CB 3.15Å; L921-S924 PolarHBondContact O-N 2.72Å; L921-S924 PolarHBondContact O-OG 3.29Å; L921-L1019 WeakPolarHBondContact CD1-O 3.48Å; L921-V1021 HydrophobicContact CD1-CB 4.25Å; L921-V1021 HydrophobicContact CD1-CG2 3.38Å; L921-V1021 HydrophobicContact CG-CG2 4.19Å |
| 922 | F | 81.2 | Confident | 87.3 | Confident | 138 Ų | 138 | 33.1 Ų | 33.1 | 61% | 0.605 | 16% | 0.164 | S | C | * | . | G | 310 helix | trans | -60.1 | -16.7 | 178.9 | -58.9 | -76.7 | 0 | 0 | 0 | 114.9 | S920 | S920-F922 PolarHBondContact O-N 3.32Š|
| 923 | I | 84.2 | Confident | 87.1 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -112.5 | 8.3 | 176 | 59.6 | 164.1 | 0 | 0 | 0 | 113 | T918 S920 L921 D925 Q926 L927 Y1061 E1064 I1068 | T918-I923 HydrophobicContact CG2-CG1 4.31Å; S920-I923 WeakPolarHBondContact O-CG1 3.24Å; S920-I923 PolarHBondContact O-N 3.21Å; L921-I923 PolarHBondContact O-N 3.28Å; L921-I923 VanDerWaalsContact O-N 3.1Å; I923-D925 PolarHBondContact O-N 2.56Å; I923-Q926 PolarHBondContact O-N 3.42Å; I923-L927 HydrophobicContact CD1-CD1 3.97Å; I923-L927 HydrophobicContact CD1-CG 4.44Å; I923-L927 HydrophobicContact CG1-CD1 4.11Å; I923-L927 WeakPolarHBondContact O-CG 3.15Å; I923-L927 PolarHBondContact O-N 3.46Å; I923-Y1061 HydrophobicContact CD1-CD2 4.06Å; I923-Y1061 HydrophobicContact CD1-CE2 4.15Å; I923-Y1061 HydrophobicContact CG1-CE2 4.48Å; I923-Y1061 HydrophobicContact CG2-CE2 3.78Å; I923-E1064 HydrophobicContact CD1-CB 3.57Å; I923-E1064 HydrophobicContact CD1-CG 4.41Å; I923-E1064 WeakPolarHBondContact CD1-OE2 3.43Å; I923-I1068 HydrophobicContact CB-CD1 4.31Å; I923-I1068 HydrophobicContact CD1-CD1 4.33Å |
| 924 | S | 86 | Confident | 86.8 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -44.3 | -175.6 | 57.8 | 0 | 0 | 0 | 0 | 112.6 | K914 L921 Q926 L927 V928 | K914-S924 WeakPolarHBondContact O-CB 3.46Å; L921-S924 VanDerWaalsContact O-CB 3.31Å; L921-S924 WeakPolarHBondContact O-CB 3.15Å; L921-S924 PolarHBondContact O-N 2.72Å; L921-S924 PolarHBondContact O-OG 3.29Å; S924-Q926 VanDerWaalsContact C-N 3.31Å; S924-Q926 PolarHBondContact O-N 3.21Å; S924-L927 PolarHBondContact O-N 3.41Å; S924-V928 WeakPolarHBondContact O-CG2 3.36Å; S924-V928 PolarHBondContact O-N 3.33Å |
| 925 | D | 86.2 | Confident | 86.6 | Confident | 75 Ų | 75 | 37.7 Ų | 37.7 | 40% | 0.401 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.4 | -41.3 | 177 | -72.5 | -49.9 | 0 | 0 | 0 | 111.5 | K914 I923 V928 S929 | K914-D925 WeakPolarHBondContact CD-OD1 3.38Å; K914-D925 IonicContact NZ-OD1 3.38Å; K914-D925 PolarHBondContact NZ-OD1 3.05Å; K914-D925 IonicContact NZ-OD2 3.54Å; K914-D925 PolarHBondContact NZ-OD2 2.82Å; I923-D925 PolarHBondContact O-N 2.56Å; D925-V928 PolarHBondContact O-N 3.06Å; D925-S929 PolarHBondContact O-N 3.09Å |
| 926 | Q | 82.8 | Confident | 86.6 | Confident | 23 Ų | 23 | 39 Ų | 39 | 11% | 0.107 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.5 | -46.6 | 175.2 | -61.8 | 177.2 | 17 | 0 | 0 | 110.7 | I923 S924 V928 S929 Q930 I1068 E1139 | I923-Q926 PolarHBondContact O-N 3.42Å; S924-Q926 VanDerWaalsContact C-N 3.31Å; S924-Q926 PolarHBondContact O-N 3.21Å; Q926-V928 PolarHBondContact O-N 3.28Å; Q926-S929 PolarHBondContact O-N 3.43Å; Q926-S929 PolarHBondContact O-OG 3.31Å; Q926-Q930 WeakPolarHBondContact O-CG 3.19Å; Q926-Q930 PolarHBondContact O-N 2.96Å; Q926-I1068 HydrophobicContact CB-CD1 3.95Å; Q926-E1139 HydrophobicContact CG-CB 3.91Å; Q926-E1139 PolarHBondContact NE2-OE2 2.89Å |
| 927 | L | 86.1 | Confident | 86.5 | Confident | 9 Ų | 9 | 38.7 Ų | 38.7 | 5% | 0.047 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.3 | -42.3 | 178.7 | -75.2 | 169 | 0 | 0 | 0 | 113 | T918 I923 S924 S929 Q930 Y931 I1068 | T918-L927 HydrophobicContact CG2-CD1 3.77Å; I923-L927 HydrophobicContact CD1-CD1 3.97Å; I923-L927 HydrophobicContact CD1-CG 4.44Å; I923-L927 HydrophobicContact CG1-CD1 4.11Å; I923-L927 WeakPolarHBondContact O-CG 3.15Å; I923-L927 PolarHBondContact O-N 3.46Å; S924-L927 PolarHBondContact O-N 3.41Å; L927-S929 PolarHBondContact O-N 2.96Å; L927-Q930 PolarHBondContact O-N 3.22Å; L927-Q930 VanDerWaalsContact O-N 3.07Å; L927-Y931 WeakPolarHBondContact O-CD2 3.23Å; L927-Y931 WeakPolarHBondContact O-CE2 3.49Å; L927-I1068 HydrophobicContact CD2-CD1 4.09Å; L927-I1068 HydrophobicContact CD2-CG1 3.83Å; L927-I1068 HydrophobicContact CG-CD1 4.18Å; L927-I1068 HydrophobicContact CG-CG1 4.37Å |
| 928 | V | 89.2 | Confident | 86.3 | Confident | 8 Ų | 8 | 46 Ų | 46 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.1 | -44.6 | 176.4 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | V895 E896 L900 K914 L917 S924 D925 Q926 Q930 Y931 | V895-V928 HydrophobicContact CG1-CG1 3.98Å; E896-V928 WeakPolarHBondContact O-CG1 3.4Å; L900-V928 HydrophobicContact CD2-CG1 4.35Å; K914-V928 HydrophobicContact CB-CG2 3.56Å; L917-V928 HydrophobicContact CD1-CB 4.39Å; L917-V928 HydrophobicContact CD1-CG2 3.36Å; S924-V928 WeakPolarHBondContact O-CG2 3.36Å; S924-V928 PolarHBondContact O-N 3.33Å; D925-V928 PolarHBondContact O-N 3.06Å; Q926-V928 PolarHBondContact O-N 3.28Å; V928-Q930 PolarHBondContact O-N 2.85Å; V928-Y931 PolarHBondContact O-N 3.38Å |
| 929 | S | 84.2 | Confident | 86.1 | Confident | 76 Ų | 76 | 46.7 Ų | 46.7 | 53% | 0.531 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.8 | -18.3 | -178.6 | 75 | 0 | 0 | 0 | 0 | 114.3 | D925 Q926 L927 | D925-S929 PolarHBondContact O-N 3.09Å; Q926-S929 PolarHBondContact O-N 3.43Å; Q926-S929 PolarHBondContact O-OG 3.31Å; L927-S929 PolarHBondContact O-N 2.96Å |
| 930 | Q | 83.6 | Confident | 86.1 | Confident | 28 Ų | 28 | 46.7 Ų | 46.7 | 13% | 0.131 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -5.5 | -179.8 | -57.6 | -48.5 | -56.6 | 0 | 0 | 113.9 | Q926 L927 V928 I1068 R1071 S1072 | Q926-Q930 WeakPolarHBondContact O-CG 3.19Å; Q926-Q930 PolarHBondContact O-N 2.96Å; L927-Q930 PolarHBondContact O-N 3.22Å; L927-Q930 VanDerWaalsContact O-N 3.07Å; V928-Q930 PolarHBondContact O-N 2.85Å; Q930-I1068 HydrophobicContact CG-CG1 4.36Å; Q930-R1071 HydrophobicContact CB-CB 4.04Å; Q930-R1071 HydrophobicContact CG-CB 4.26Å; Q930-R1071 PolarHBondContact O-NH1 3.46Å; Q930-R1071 VanDerWaalsContact OE1-CB 3.23Å; Q930-R1071 PolarHBondContact OE1-O 2.84Å; Q930-R1071 VanDerWaalsContact OE1-O 3.09Å; Q930-S1072 VanDerWaalsContact OE1-N 3.15Å |
| 931 | Y | 87.2 | Confident | 86.2 | Confident | 38 Ų | 38 | 46.7 Ų | 46.7 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | trans | -92.7 | 141.8 | 176 | -69.1 | -71.5 | 0 | 0 | 0 | 110.6 | V895 L900 L917 L927 V928 D935 L937 | V895-Y931 WeakPolarHBondContact CG2-O 3.27Å; L900-Y931 HydrophobicContact CD1-CD1 4.47Å; L900-Y931 HydrophobicContact CD1-CD2 3.61Å; L900-Y931 HydrophobicContact CD1-CE2 4.02Å; L900-Y931 HydrophobicContact CD1-CG 3.84Å; L900-Y931 HydrophobicContact CD2-CD2 4.25Å; L900-Y931 HydrophobicContact CD2-CG 4.34Å; L917-Y931 HydrophobicContact CD2-CE2 4.38Å; L927-Y931 WeakPolarHBondContact O-CD2 3.23Å; L927-Y931 WeakPolarHBondContact O-CE2 3.49Å; V928-Y931 PolarHBondContact O-N 3.38Å; Y931-D935 WeakPolarHBondContact CA-OD2 3.26Å; Y931-D935 HydrophobicContact CD1-CB 4.37Å; Y931-L937 HydrophobicContact CD1-CD2 3.59Å; Y931-L937 HydrophobicContact CE1-CD2 3.23Å | ||
| 932 | K | 87.1 | Confident | 86.3 | Confident | 102 Ų | 102 | 45.9 Ų | 45.9 | 44% | 0.443 | 25% | 0.252 | S | S | . | . | trans | -120.2 | 147.9 | 175.1 | -63 | 179.1 | -177.8 | 179.8 | 0 | 109.3 | G934 D935 D1073 | K932-G934 PolarHBondContact O-N 3.31Å; K932-D935 PolarHBondContact N-OD2 3.42Å; K932-D935 VanDerWaalsContact O-CB 3.31Å; K932-D935 WeakPolarHBondContact O-CB 3.48Å; K932-D935 PolarHBondContact O-N 3.16Å; K932-D1073 IonicContact NZ-OD1 2.8Å; K932-D1073 PolarHBondContact NZ-OD1 3.39Å; K932-D1073 IonicContact NZ-OD2 2.89Å; K932-D1073 PolarHBondContact NZ-OD2 3.04Å | ||
| 933 | P | 87.8 | Confident | 86.4 | Confident | 92 Ų | 92 | 39.4 Ų | 39.4 | 60% | 0.597 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 128.5 | 171 | -25.3 | 35 | 0 | 0 | 0 | 110.8 | V892 V895 | V892-P933 CarbonylContact O-C 3.57Å; V892-P933 WeakPolarHBondContact O-CA 3.39Å; V895-P933 HydrophobicContact CG2-CG 4.39Å |
| 934 | G | 85.7 | Confident | 86.1 | Confident | 38 Ų | 38 | 42.5 Ų | 42.5 | 39% | 0.392 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 102.3 | -12.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V892 K932 C936 | V892-G934 PolarHBondContact O-N 3.26Å; K932-G934 PolarHBondContact O-N 3.31Å; G934-C936 PolarHBondContact O-N 2.89Å |
| 935 | D | 87.8 | Confident | 85.5 | Confident | 38 Ų | 38 | 44.7 Ų | 44.7 | 20% | 0.203 | 25% | 0.25 | C | S | . | . | trans | -64.1 | 130.5 | 179.2 | -83.7 | -7.2 | 0 | 0 | 0 | 111.8 | E891 V892 Y931 K932 L937 R1071 | E891-D935 CarbonylContact C-O 3.42Å; E891-D935 WeakPolarHBondContact CA-O 3.49Å; V892-D935 HydrophobicContact CB-CB 4.35Å; V892-D935 HydrophobicContact CG2-CB 3.98Å; V892-D935 PolarHBondContact N-O 3.35Å; Y931-D935 WeakPolarHBondContact CA-OD2 3.26Å; Y931-D935 HydrophobicContact CD1-CB 4.37Å; K932-D935 PolarHBondContact N-OD2 3.42Å; K932-D935 VanDerWaalsContact O-CB 3.31Å; K932-D935 WeakPolarHBondContact O-CB 3.48Å; K932-D935 PolarHBondContact O-N 3.16Å; D935-L937 PolarHBondContact O-N 3.09Å; D935-R1071 IonicContact OD2-CZ 3.25Å; D935-R1071 IonicContact OD2-NH1 2.99Å; D935-R1071 PolarHBondContact OD2-NH1 3.27Å; D935-R1071 IonicContact OD2-NH2 2.68Å | ||
| 936 | C | 89.1 | Confident | 84.8 | Confident | 89 Ų | 89 | 43 Ų | 43 | 60% | 0.601 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 114.4 | 174.5 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | G890 G934 | G890-C936 CarbonylContact O-C 3.52Å; G934-C936 PolarHBondContact O-N 2.89Å |
| 937 | L | 88.5 | Confident | 84.3 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 127.4 | 176.6 | -56.2 | -178.8 | 0 | 0 | 0 | 110.7 | T889 G890 V892 L900 V902 Y931 D935 L940 M953 | T889-L937 CarbonylContact C-O 3.53Å; T889-L937 VanDerWaalsContact CA-O 3.26Å; T889-L937 WeakPolarHBondContact CA-O 3.39Å; T889-L937 WeakPolarHBondContact CB-O 3.49Å; G890-L937 PolarHBondContact N-O 3.2Å; G890-L937 PolarHBondContact O-N 3.04Å; V892-L937 HydrophobicContact CG2-CD1 3.57Å; V892-L937 HydrophobicContact CG2-CD2 3.93Å; V892-L937 HydrophobicContact CG2-CG 3.67Å; L900-L937 HydrophobicContact CD1-CD1 4.06Å; V902-L937 HydrophobicContact CB-CD1 4.49Å; V902-L937 HydrophobicContact CG1-CD1 4.06Å; V902-L937 HydrophobicContact CG2-CD1 3.56Å; Y931-L937 HydrophobicContact CD1-CD2 3.59Å; Y931-L937 HydrophobicContact CE1-CD2 3.23Å; D935-L937 PolarHBondContact O-N 3.09Å; L937-L940 HydrophobicContact CB-CD1 4.04Å; L937-L940 HydrophobicContact CB-CG 4.49Å; L937-M953 HydrophobicContact CB-CE 4.34Å; L937-M953 HydrophobicContact CB-SD 4.42Å; L937-M953 HydrophobicContact CD1-SD 3.9Å; L937-M953 HydrophobicContact CD2-CE 4.27Å; L937-M953 HydrophobicContact CD2-SD 4.49Å |
| 938 | K | 86.1 | Confident | 83.8 | Confident | 165 Ų | 165 | 53.4 Ų | 53.4 | 72% | 0.717 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 142.3 | 171.3 | -62.1 | 179.7 | -178.5 | 176.9 | 0 | 108.9 | T889 | T889-K938 HydrophobicContact CG2-CB 4.47Å; T889-K938 HydrophobicContact CG2-CG 4.08Å |
| 939 | G | 86.5 | Confident | 83.4 | Confident | 15 Ų | 15 | 53.8 Ų | 53.8 | 16% | 0.155 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 97.9 | 37.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V887 H888 V958 | V887-G939 VanDerWaalsContact CG1-CA 3.46Å; H888-G939 PolarHBondContact O-N 2.82Å; G939-V958 WeakPolarHBondContact O-CG2 3.39Å |
| 940 | L | 89.1 | Confident | 83.6 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 127.1 | -178.4 | -69.7 | 158 | 0 | 0 | 0 | 111.4 | H888 V902 L904 V912 L937 F951 M953 | H888-L940 HydrophobicContact CB-CB 4.3Å; H888-L940 PolarHBondContact N-O 3.14Å; H888-L940 PolarHBondContact O-N 3.18Å; V902-L940 HydrophobicContact CG1-CD1 3.66Å; L904-L940 HydrophobicContact CD2-CB 4.16Å; L904-L940 HydrophobicContact CD2-CD1 3.71Å; V912-L940 HydrophobicContact CG2-CD2 3.69Å; L937-L940 HydrophobicContact CB-CD1 4.04Å; L937-L940 HydrophobicContact CB-CG 4.49Å; L940-F951 HydrophobicContact CD2-CB 4.18Å; L940-M953 HydrophobicContact CD2-CG 3.51Å; L940-M953 HydrophobicContact CD2-SD 3.9Å; L940-M953 HydrophobicContact CG-CG 4.29Å |
| 941 | V | 88.6 | Confident | 83.9 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 134.4 | 173.4 | 169 | 0 | 0 | 0 | 0 | 110 | V887 V943 F951 T952 V958 V961 P997 | V887-V941 HydrophobicContact CG2-CG2 4.23Å; V941-V943 PolarHBondContact O-N 3.2Å; V941-F951 CarbonylContact O-C 3.56Å; V941-F951 WeakPolarHBondContact O-CA 3.4Å; V941-T952 HydrophobicContact CB-CG2 3.86Å; V941-T952 HydrophobicContact CG1-CG2 4.21Å; V941-T952 PolarHBondContact N-O 3.16Å; V941-T952 PolarHBondContact O-N 2.89Å; V941-V958 HydrophobicContact CG2-CB 4.49Å; V941-V958 HydrophobicContact CG2-CG2 4.14Å; V941-V961 HydrophobicContact CG1-CG2 3.89Å; V941-V961 HydrophobicContact CG2-CB 4.03Å; V941-V961 HydrophobicContact CG2-CG1 4.09Å; V941-V961 HydrophobicContact CG2-CG2 4.12Å; V941-P997 HydrophobicContact CG1-CB 4.36Å |
| 942 | I | 85.2 | Confident | 84.1 | Confident | 12 Ų | 12 | 48.6 Ų | 48.6 | 6% | 0.062 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 113 | 176.3 | -49.7 | -178 | 0 | 0 | 0 | 109.6 | L904 V945 F951 | L904-I942 HydrophobicContact CD1-CD1 4.02Å; L904-I942 HydrophobicContact CD1-CG1 4.35Å; I942-V945 HydrophobicContact CG2-CG2 4.19Å; I942-F951 HydrophobicContact CB-CD1 4.32Å; I942-F951 HydrophobicContact CB-CE1 4.38Å; I942-F951 HydrophobicContact CD1-CE1 4.21Å; I942-F951 HydrophobicContact CG1-CD1 3.94Å; I942-F951 HydrophobicContact CG1-CE1 3.73Å; I942-F951 HydrophobicContact CG2-CD1 4.34Å; I942-F951 HydrophobicContact CG2-CE1 4.21Å |
| 943 | V | 82.9 | Confident | 84.3 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -47.8 | -177.7 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | V941 L950 T952 Y982 G998 | V941-V943 PolarHBondContact O-N 3.2Å; V943-L950 HydrophobicContact CB-CD2 4.24Å; V943-L950 HydrophobicContact CB-CG 4.27Å; V943-L950 HydrophobicContact CG1-CD2 4.36Å; V943-L950 PolarHBondContact N-O 3.02Å; V943-T952 HydrophobicContact CG2-CG2 3.29Å; V943-Y982 HydrophobicContact CG1-CE1 3.83Å; V943-G998 PolarHBondContact O-N 3.18Å |
| 944 | K | 79.1 | Confident | 84.5 | Confident | 70 Ų | 70 | 40.4 Ų | 40.4 | 30% | 0.304 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 127.5 | 178.2 | -69.3 | -179.5 | -179 | 166.8 | 0 | 110.9 | P949 L950 D995 H999 | K944-P949 WeakPolarHBondContact O-CA 3.49Å; K944-L950 HydrophobicContact CB-CB 4.12Å; K944-L950 HydrophobicContact CD-CD2 4.41Å; K944-L950 PolarHBondContact N-O 3.4Å; K944-L950 PolarHBondContact O-N 2.92Å; K944-D995 VanDerWaalsContact CE-OD2 3.29Å; K944-D995 WeakPolarHBondContact CE-OD2 3.29Å; K944-D995 IonicContact NZ-OD2 2.97Å; K944-D995 PolarHBondContact NZ-OD2 3.2Å; K944-H999 VanDerWaalsContact CA-CE1 3.47Å; K944-H999 WeakPolarHBondContact CA-CE1 3.48Å |
| 945 | V | 73.2 | Confident | 84.7 | Confident | 52 Ų | 52 | 40.7 Ų | 40.7 | 32% | 0.315 | 24% | 0.241 | S | C | . | . | trans | -84.9 | 123.7 | 172.1 | -171.9 | 0 | 0 | 0 | 0 | 108.8 | C881 P883 I942 H999 | C881-V945 HydrophobicContact CB-CG1 4.36Å; C881-V945 WeakPolarHBondContact O-CG1 3.43Å; P883-V945 HydrophobicContact CG-CG2 4.21Å; I942-V945 HydrophobicContact CG2-CG2 4.19Å; V945-H999 PolarHBondContact N-CE1 2.91Å; V945-H999 PolarHBondContact N-NE2 3.48Å | ||
| 946 | G | 72 | Confident | 84.8 | Confident | 38 Ų | 38 | 39.2 Ų | 39.2 | 39% | 0.392 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -159.9 | -172.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T948 | G946-T948 PolarHBondContact O-N 3.35Š|
| 947 | P | 72 | Confident | 84.8 | Confident | 140 Ų | 140 | 35 Ų | 35 | 91% | 0.909 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -56.5 | -38.6 | 174.9 | -18.2 | 28.8 | 0 | 0 | 0 | 111.8 | ||
| 948 | T | 74.4 | Confident | 84.9 | Confident | 112 Ų | 112 | 35.8 Ų | 35.8 | 69% | 0.687 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -116 | 97.2 | 167.4 | 41.7 | 0 | 0 | 0 | 0 | 107.8 | G946 L950 | G946-T948 PolarHBondContact O-N 3.35Å; T948-L950 PolarHBondContact O-N 3.11Å |
| 949 | P | 81.3 | Confident | 84.9 | Confident | 15 Ų | 15 | 32.5 Ų | 32.5 | 10% | 0.097 | 20% | 0.197 | C | C | . | . | trans | -63.3 | 133.4 | -178.3 | 21.5 | -28.3 | 0 | 0 | 0 | 110.9 | V909 G910 Y911 K944 F951 | V909-P949 WeakPolarHBondContact O-CD 3.49Å; V909-P949 WeakPolarHBondContact O-CG 3.32Å; G910-P949 CarbonylContact C-O 3.51Å; G910-P949 WeakPolarHBondContact CA-O 3.43Å; Y911-P949 PolarHBondContact N-O 2.9Å; K944-P949 WeakPolarHBondContact O-CA 3.49Å; P949-F951 HydrophobicContact CB-CE1 3.86Å; P949-F951 HydrophobicContact CB-CZ 4.3Å; P949-F951 HydrophobicContact CG-CE1 4.16Å; P949-F951 HydrophobicContact CG-CZ 4.08Å | ||
| 950 | L | 88.1 | Confident | 84.9 | Confident | 32 Ų | 32 | 32.1 Ų | 32.1 | 17% | 0.168 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 123.5 | -179.7 | 175 | 65.7 | 0 | 0 | 0 | 109.7 | P913 V943 K944 T948 | P913-L950 HydrophobicContact CG-CD1 3.37Å; V943-L950 HydrophobicContact CB-CD2 4.24Å; V943-L950 HydrophobicContact CB-CG 4.27Å; V943-L950 HydrophobicContact CG1-CD2 4.36Å; V943-L950 PolarHBondContact N-O 3.02Å; K944-L950 HydrophobicContact CB-CB 4.12Å; K944-L950 HydrophobicContact CD-CD2 4.41Å; K944-L950 PolarHBondContact N-O 3.4Å; K944-L950 PolarHBondContact O-N 2.92Å; T948-L950 PolarHBondContact O-N 3.11Å |
| 951 | F | 90.1 | Very high | 84.8 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 151.9 | 177.2 | -60 | -24.6 | 0 | 0 | 0 | 111 | V902 L904 Y911 V912 L940 V941 I942 P949 | V902-F951 HydrophobicContact CB-CD2 4.27Å; V902-F951 HydrophobicContact CB-CE2 4.46Å; L904-F951 HydrophobicContact CD1-CE1 3.88Å; L904-F951 HydrophobicContact CD1-CE2 4.09Å; L904-F951 HydrophobicContact CD1-CZ 3.48Å; L904-F951 VanDerWaalsContact CD1-CZ 3.48Å; L904-F951 HydrophobicContact CD2-CE2 4.08Å; L904-F951 HydrophobicContact CD2-CZ 4.3Å; L904-F951 HydrophobicContact CG-CE1 4.49Å; L904-F951 HydrophobicContact CG-CE2 3.8Å; L904-F951 HydrophobicContact CG-CZ 3.69Å; Y911-F951 PolarHBondContact O-N 2.84Å; V912-F951 HydrophobicContact CG2-CB 3.54Å; V912-F951 HydrophobicContact CG2-CD2 4.35Å; V912-F951 HydrophobicContact CG2-CG 4.49Å; L940-F951 HydrophobicContact CD2-CB 4.18Å; V941-F951 CarbonylContact O-C 3.56Å; V941-F951 WeakPolarHBondContact O-CA 3.4Å; I942-F951 HydrophobicContact CB-CD1 4.32Å; I942-F951 HydrophobicContact CB-CE1 4.38Å; I942-F951 HydrophobicContact CD1-CE1 4.21Å; I942-F951 HydrophobicContact CG1-CD1 3.94Å; I942-F951 HydrophobicContact CG1-CE1 3.73Å; I942-F951 HydrophobicContact CG2-CD1 4.34Å; I942-F951 HydrophobicContact CG2-CE1 4.21Å; P949-F951 HydrophobicContact CB-CE1 3.86Å; P949-F951 HydrophobicContact CB-CZ 4.3Å; P949-F951 HydrophobicContact CG-CE1 4.16Å; P949-F951 HydrophobicContact CG-CZ 4.08Å |
| 952 | T | 91.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 141.4 | 173.2 | -167.6 | 0 | 0 | 0 | 0 | 111 | H916 V941 V943 K954 I957 | H916-T952 VanDerWaalsContact ND1-CB 3.34Å; H916-T952 WeakPolarHBondContact ND1-CB 3.44Å; H916-T952 PolarHBondContact ND1-OG1 3.08Å; V941-T952 HydrophobicContact CB-CG2 3.86Å; V941-T952 HydrophobicContact CG1-CG2 4.21Å; V941-T952 PolarHBondContact N-O 3.16Å; V941-T952 PolarHBondContact O-N 2.89Å; V943-T952 HydrophobicContact CG2-CG2 3.29Å; T952-K954 PolarHBondContact OG1-N 3.43Å; T952-I957 HydrophobicContact CG2-CB 4.37Å; T952-I957 HydrophobicContact CG2-CG2 3.91Å |
| 953 | M | 91.2 | Very high | 84.6 | Confident | 23 Ų | 23 | 40.7 Ų | 40.7 | 11% | 0.113 | 25% | 0.248 | C | C | . | . | trans | -113.7 | -3.5 | 172.5 | -67.4 | -178.8 | 62.9 | 0 | 0 | 112.8 | V912 H916 L917 L937 L940 P955 | V912-M953 HydrophobicContact CG1-CG 4.33Å; H916-M953 CarbonylContact O-C 3.55Å; H916-M953 WeakPolarHBondContact O-CA 3.39Å; H916-M953 PolarHBondContact O-N 2.82Å; L917-M953 HydrophobicContact CD2-SD 3.9Å; L937-M953 HydrophobicContact CB-CE 4.34Å; L937-M953 HydrophobicContact CB-SD 4.42Å; L937-M953 HydrophobicContact CD1-SD 3.9Å; L937-M953 HydrophobicContact CD2-CE 4.27Å; L937-M953 HydrophobicContact CD2-SD 4.49Å; L940-M953 HydrophobicContact CD2-CG 3.51Å; L940-M953 HydrophobicContact CD2-SD 3.9Å; L940-M953 HydrophobicContact CG-CG 4.29Å; M953-P955 WeakPolarHBondContact O-CD 3.48Å | ||
| 954 | K | 92.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -40.6 | 109.6 | 172 | -75 | 178.2 | 170.9 | -57.3 | 0 | 112.3 | E915 H916 T918 T952 V956 I957 V958 G1020 S1022 | E915-K954 WeakPolarHBondContact O-CE 3.45Å; E915-K954 PolarHBondContact O-NZ 2.79Å; H916-K954 PolarHBondContact O-N 3.41Å; T918-K954 PolarHBondContact O-NZ 3.25Å; T952-K954 PolarHBondContact OG1-N 3.43Å; K954-V956 VanDerWaalsContact C-N 3.28Å; K954-V956 PolarHBondContact O-N 2.86Å; K954-I957 HydrophobicContact CB-CB 4.26Å; K954-I957 HydrophobicContact CB-CD1 4.1Å; K954-I957 HydrophobicContact CB-CG1 4.12Å; K954-I957 HydrophobicContact CD-CD1 3.78Å; K954-I957 PolarHBondContact O-N 2.94Å; K954-V958 WeakPolarHBondContact O-CG2 3.22Å; K954-V958 PolarHBondContact O-N 2.68Å; K954-G1020 WeakPolarHBondContact CE-O 3.35Å; K954-G1020 PolarHBondContact NZ-O 3.33Å; K954-S1022 VanDerWaalsContact CD-OG 3.31Å; K954-S1022 WeakPolarHBondContact CD-OG 3.02Å; K954-S1022 PolarHBondContact NZ-OG 2.66Å | ||
| 955 | P | 90.1 | Very high | 84.5 | Confident | 43 Ų | 43 | 44.3 Ų | 44.3 | 28% | 0.279 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -55.8 | -38.4 | -172 | -35.2 | 42.6 | 0 | 0 | 0 | 113.9 | D919 M953 I957 V958 Q959 Q1060 | D919-P955 WeakPolarHBondContact OD2-CD 3.32Å; M953-P955 WeakPolarHBondContact O-CD 3.48Å; P955-I957 VanDerWaalsContact C-N 3.32Å; P955-I957 PolarHBondContact O-N 2.93Å; P955-V958 PolarHBondContact O-N 3.48Å; P955-Q959 WeakPolarHBondContact O-CB 3.38Å; P955-Q959 PolarHBondContact O-N 3.35Å; P955-Q1060 VanDerWaalsContact CD-NE2 3.27Å; P955-Q1060 HydrophobicContact CG-CG 4.4Å |
| 956 | V | 89 | Confident | 84.9 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.4 | -37.5 | 177.2 | 75.7 | 0 | 0 | 0 | 0 | 113.1 | D919 K954 A960 Y980 Y1206 | D919-V956 WeakPolarHBondContact OD1-CG1 3.25Å; D919-V956 PolarHBondContact OD2-N 3.43Å; K954-V956 VanDerWaalsContact C-N 3.28Å; K954-V956 PolarHBondContact O-N 2.86Å; V956-A960 WeakPolarHBondContact O-CB 3.28Å; V956-A960 PolarHBondContact O-N 2.89Å; V956-Y980 HydrophobicContact CG2-CD1 3.73Å; V956-Y980 HydrophobicContact CG2-CE1 4.32Å; V956-Y1206 HydrophobicContact CB-CE1 3.87Å; V956-Y1206 HydrophobicContact CG1-CE1 4.27Å; V956-Y1206 HydrophobicContact CG2-CE1 3.88Å; V956-Y1206 HydrophobicContact CG2-CE2 3.99Å |
| 957 | I | 89.5 | Confident | 85.2 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -76 | -43.1 | 179.9 | -59.7 | -178.3 | 0 | 0 | 0 | 109.9 | T952 K954 P955 Q959 A960 V961 Y982 P997 | T952-I957 HydrophobicContact CG2-CB 4.37Å; T952-I957 HydrophobicContact CG2-CG2 3.91Å; K954-I957 HydrophobicContact CB-CB 4.26Å; K954-I957 HydrophobicContact CB-CD1 4.1Å; K954-I957 HydrophobicContact CB-CG1 4.12Å; K954-I957 HydrophobicContact CD-CD1 3.78Å; K954-I957 PolarHBondContact O-N 2.94Å; P955-I957 VanDerWaalsContact C-N 3.32Å; P955-I957 PolarHBondContact O-N 2.93Å; I957-Q959 VanDerWaalsContact C-N 3.3Å; I957-Q959 PolarHBondContact O-N 2.83Å; I957-A960 PolarHBondContact O-N 2.91Å; I957-V961 WeakPolarHBondContact O-CG2 3.31Å; I957-V961 PolarHBondContact O-N 3.43Å; I957-Y982 HydrophobicContact CD1-CD1 4.01Å; I957-P997 HydrophobicContact CG2-CG 3.48Å; I957-P997 VanDerWaalsContact CG2-CG 3.48Å |
| 958 | V | 89.8 | Confident | 85.4 | Confident | 22 Ų | 22 | 38.8 Ų | 38.8 | 13% | 0.133 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 176.1 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | V887 G939 V941 K954 P955 V961 A962 | V887-V958 HydrophobicContact CG1-CG1 3.91Å; V887-V958 HydrophobicContact CG2-CG1 3.99Å; G939-V958 WeakPolarHBondContact O-CG2 3.39Å; V941-V958 HydrophobicContact CG2-CB 4.49Å; V941-V958 HydrophobicContact CG2-CG2 4.14Å; K954-V958 WeakPolarHBondContact O-CG2 3.22Å; K954-V958 PolarHBondContact O-N 2.68Å; P955-V958 PolarHBondContact O-N 3.48Å; V958-V961 PolarHBondContact O-N 2.87Å; V958-A962 VanDerWaalsContact O-CB 3.31Å; V958-A962 WeakPolarHBondContact O-CB 3.5Å; V958-A962 PolarHBondContact O-N 3.23Å |
| 959 | Q | 87.1 | Confident | 85.5 | Confident | 95 Ų | 95 | 36.4 Ų | 36.4 | 44% | 0.444 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.7 | -42.6 | 175.7 | -171.4 | 175.8 | 27.4 | 0 | 0 | 111.8 | P955 I957 V961 A962 L963 | P955-Q959 WeakPolarHBondContact O-CB 3.38Å; P955-Q959 PolarHBondContact O-N 3.35Å; I957-Q959 VanDerWaalsContact C-N 3.3Å; I957-Q959 PolarHBondContact O-N 2.83Å; Q959-V961 VanDerWaalsContact C-N 3.31Å; Q959-V961 PolarHBondContact O-N 3.25Å; Q959-A962 PolarHBondContact O-N 3.3Å; Q959-L963 HydrophobicContact CG-CD1 3.83Å; Q959-L963 HydrophobicContact CG-CG 4.28Å; Q959-L963 WeakPolarHBondContact O-CB 3.41Å; Q959-L963 VanDerWaalsContact O-CG 3.28Å; Q959-L963 WeakPolarHBondContact O-CG 3.49Å; Q959-L963 PolarHBondContact O-N 3.09Å |
| 960 | A | 86.8 | Confident | 85.2 | Confident | 7 Ų | 7 | 38 Ų | 38 | 6% | 0.058 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.3 | -37.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | V956 I957 G964 I965 A966 Y980 | V956-A960 WeakPolarHBondContact O-CB 3.28Å; V956-A960 PolarHBondContact O-N 2.89Å; I957-A960 PolarHBondContact O-N 2.91Å; A960-G964 PolarHBondContact O-N 2.91Å; A960-I965 PolarHBondContact O-N 3.47Å; A960-A966 HydrophobicContact CB-CB 4.22Å; A960-A966 PolarHBondContact O-N 3.29Å; A960-Y980 HydrophobicContact CB-CD2 4.4Å; A960-Y980 HydrophobicContact CB-CG 4.31Å |
| 961 | V | 87.3 | Confident | 84.4 | Confident | 9 Ų | 9 | 41.2 Ų | 41.2 | 6% | 0.055 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.6 | -44.8 | 174.7 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | F885 V887 V941 I957 V958 Q959 L963 G964 A966 P997 | F885-V961 HydrophobicContact CB-CG1 4.44Å; F885-V961 WeakPolarHBondContact O-CG1 3.38Å; V887-V961 HydrophobicContact CG2-CG1 4.35Å; V941-V961 HydrophobicContact CG1-CG2 3.89Å; V941-V961 HydrophobicContact CG2-CB 4.03Å; V941-V961 HydrophobicContact CG2-CG1 4.09Å; V941-V961 HydrophobicContact CG2-CG2 4.12Å; I957-V961 WeakPolarHBondContact O-CG2 3.31Å; I957-V961 PolarHBondContact O-N 3.43Å; V958-V961 PolarHBondContact O-N 2.87Å; Q959-V961 VanDerWaalsContact C-N 3.31Å; Q959-V961 PolarHBondContact O-N 3.25Å; V961-L963 VanDerWaalsContact C-N 3.31Å; V961-L963 PolarHBondContact O-N 2.97Å; V961-G964 PolarHBondContact O-N 3.39Å; V961-A966 HydrophobicContact CB-CB 4.37Å; V961-A966 HydrophobicContact CG2-CB 3.55Å; V961-P997 HydrophobicContact CG2-CB 4.4Å; V961-P997 HydrophobicContact CG2-CG 4.2Å |
| 962 | A | 84.7 | Confident | 83.5 | Confident | 73 Ų | 73 | 45.7 Ų | 45.7 | 60% | 0.603 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -60.8 | -38.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V887 V958 Q959 G964 | V887-A962 HydrophobicContact CG2-CB 4.12Å; V958-A962 VanDerWaalsContact O-CB 3.31Å; V958-A962 WeakPolarHBondContact O-CB 3.5Å; V958-A962 PolarHBondContact O-N 3.23Å; Q959-A962 PolarHBondContact O-N 3.3Å; A962-G964 VanDerWaalsContact C-N 3.26Å; A962-G964 PolarHBondContact O-N 3.35Å |
| 963 | L | 84.1 | Confident | 82.8 | Confident | 113 Ų | 113 | 46.1 Ų | 46.1 | 59% | 0.592 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -6.1 | 175.6 | -67.2 | 174.4 | 0 | 0 | 0 | 113.3 | Q959 V961 I965 | Q959-L963 HydrophobicContact CG-CD1 3.83Å; Q959-L963 HydrophobicContact CG-CG 4.28Å; Q959-L963 WeakPolarHBondContact O-CB 3.41Å; Q959-L963 VanDerWaalsContact O-CG 3.28Å; Q959-L963 WeakPolarHBondContact O-CG 3.49Å; Q959-L963 PolarHBondContact O-N 3.09Å; V961-L963 VanDerWaalsContact C-N 3.31Å; V961-L963 PolarHBondContact O-N 2.97Å; L963-I965 VanDerWaalsContact C-N 3.25Å; L963-I965 HydrophobicContact CB-CD1 3.73Å; L963-I965 HydrophobicContact CB-CG1 3.89Å; L963-I965 HydrophobicContact CD1-CD1 4.03Å; L963-I965 PolarHBondContact O-N 3Å |
| 964 | G | 79.9 | Confident | 82.2 | Confident | 49 Ų | 49 | 50.9 Ų | 50.9 | 51% | 0.505 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | 15.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A960 V961 A962 | A960-G964 PolarHBondContact O-N 2.91Å; V961-G964 PolarHBondContact O-N 3.39Å; A962-G964 VanDerWaalsContact C-N 3.26Å; A962-G964 PolarHBondContact O-N 3.35Å |
| 965 | I | 81.2 | Confident | 81.5 | Confident | 99 Ų | 99 | 55.3 Ų | 55.3 | 51% | 0.508 | 33% | 0.326 | S | S | . | . | trans | -91.8 | -16.6 | -178.2 | -51.8 | 169.5 | 0 | 0 | 0 | 111 | A960 L963 Y980 | A960-I965 PolarHBondContact O-N 3.47Å; L963-I965 VanDerWaalsContact C-N 3.25Å; L963-I965 HydrophobicContact CB-CD1 3.73Å; L963-I965 HydrophobicContact CB-CG1 3.89Å; L963-I965 HydrophobicContact CD1-CD1 4.03Å; L963-I965 PolarHBondContact O-N 3Å; I965-Y980 HydrophobicContact CG2-CE2 4.37Å | ||
| 966 | A | 81.4 | Confident | 80.7 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 5% | 0.05 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -62.5 | 130.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A960 V961 K968 | A960-A966 HydrophobicContact CB-CB 4.22Å; A960-A966 PolarHBondContact O-N 3.29Å; V961-A966 HydrophobicContact CB-CB 4.37Å; V961-A966 HydrophobicContact CG2-CB 3.55Å; A966-K968 PolarHBondContact O-N 3.28Å |
| 967 | P | 78 | Confident | 80.4 | Confident | 10 Ų | 10 | 56.6 Ų | 56.6 | 7% | 0.065 | 34% | 0.342 | C | S | . | . | trans | -67.9 | 121.5 | -175.6 | 28.2 | -35 | 0 | 0 | 0 | 110.6 | V973 F996 M1000 | P967-V973 HydrophobicContact CB-CG2 3.38Å; P967-F996 HydrophobicContact CG-CB 3.98Å; P967-F996 HydrophobicContact CG-CD1 3.89Å; P967-F996 HydrophobicContact CG-CG 4.03Å; P967-M1000 HydrophobicContact CB-CE 4.43Å | ||
| 968 | K | 76.4 | Confident | 80.2 | Confident | 98 Ų | 98 | 58.2 Ų | 58.2 | 43% | 0.426 | 35% | 0.35 | S | S | . | . | trans | -93.8 | -36.9 | -176.4 | -48 | -178.3 | 179.2 | 169.6 | 0 | 112.8 | F885 A966 D972 | F885-K968 HydrophobicContact CB-CD 4.27Å; F885-K968 HydrophobicContact CB-CG 4.5Å; F885-K968 HydrophobicContact CD1-CB 4.29Å; F885-K968 HydrophobicContact CD1-CD 4.38Å; F885-K968 HydrophobicContact CD1-CG 3.71Å; F885-K968 HydrophobicContact CD2-CB 4.02Å; F885-K968 HydrophobicContact CD2-CD 3.94Å; F885-K968 HydrophobicContact CD2-CG 3.87Å; F885-K968 HydrophobicContact CE1-CB 3.87Å; F885-K968 HydrophobicContact CE1-CG 3.77Å; F885-K968 HydrophobicContact CE2-CB 3.58Å; F885-K968 HydrophobicContact CE2-CD 4.37Å; F885-K968 HydrophobicContact CE2-CG 3.93Å; F885-K968 HydrophobicContact CG-CB 4.36Å; F885-K968 HydrophobicContact CG-CD 3.94Å; F885-K968 HydrophobicContact CG-CG 3.76Å; F885-K968 HydrophobicContact CZ-CB 3.51Å; F885-K968 HydrophobicContact CZ-CG 3.89Å; A966-K968 PolarHBondContact O-N 3.28Å; K968-D972 WeakPolarHBondContact CA-OD2 3.42Å; K968-D972 VanDerWaalsContact CB-OD2 3.27Å; K968-D972 WeakPolarHBondContact CB-OD2 3.47Å; K968-D972 PolarHBondContact N-OD2 2.88Å | ||
| 969 | T | 75.8 | Confident | 80 | Confident | 61 Ų | 61 | 57.4 Ų | 57.4 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -138.8 | 161.2 | 180 | 64.5 | 0 | 0 | 0 | 0 | 109.9 | S971 D972 | T969-S971 PolarHBondContact O-N 3.35Å; T969-S971 VanDerWaalsContact O-N 3.1Å; T969-S971 PolarHBondContact OG1-OG 3.31Å; T969-D972 PolarHBondContact N-OD2 3.22Å; T969-D972 PolarHBondContact O-N 3.32Å; T969-D972 PolarHBondContact OG1-OD1 3.04Å; T969-D972 PolarHBondContact OG1-OD2 2.74Å |
| 970 | F | 75 | Confident | 80.1 | Confident | 48 Ų | 48 | 55 Ų | 55 | 21% | 0.211 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -60 | -20.1 | 175.5 | -73.4 | -86.1 | 0 | 0 | 0 | 113.4 | M1000 K1035 M1037 | F970-M1000 HydrophobicContact CB-CE 4.42Å; F970-M1000 HydrophobicContact CD1-CE 3.8Å; F970-M1000 HydrophobicContact CD2-CE 4.31Å; F970-M1000 HydrophobicContact CD2-CG 4.35Å; F970-M1000 HydrophobicContact CD2-SD 4.49Å; F970-M1000 HydrophobicContact CE1-CE 4.08Å; F970-M1000 HydrophobicContact CE2-CG 3.99Å; F970-M1000 HydrophobicContact CG-CE 3.93Å; F970-M1000 HydrophobicContact CZ-CE 4.44Å; F970-M1000 HydrophobicContact CZ-CG 4.18Å; F970-K1035 HydrophobicContact CE2-CB 3.89Å; F970-K1035 HydrophobicContact CE2-CG 4.3Å; F970-K1035 HydrophobicContact CZ-CB 3.92Å; F970-K1035 WeakPolarHBondContact CZ-O 3.39Å; F970-M1037 HydrophobicContact CE1-CG 4.2Å; F970-M1037 HydrophobicContact CE1-SD 4.4Å |
| 971 | S | 71.6 | Confident | 80.3 | Confident | 101 Ų | 101 | 54.6 Ų | 54.6 | 71% | 0.706 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -79.3 | -16.4 | 175.5 | 24.5 | 0 | 0 | 0 | 0 | 114.1 | T969 V973 | T969-S971 PolarHBondContact O-N 3.35Å; T969-S971 VanDerWaalsContact O-N 3.1Å; T969-S971 PolarHBondContact OG1-OG 3.31Å; S971-V973 VanDerWaalsContact C-N 3.26Å |
| 972 | D | 71.4 | Confident | 80.5 | Confident | 94 Ų | 94 | 54.6 Ų | 54.6 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -86.6 | 0.6 | 178.8 | -54.3 | -42.4 | 0 | 0 | 0 | 112.6 | K968 T969 | K968-D972 WeakPolarHBondContact CA-OD2 3.42Å; K968-D972 VanDerWaalsContact CB-OD2 3.27Å; K968-D972 WeakPolarHBondContact CB-OD2 3.47Å; K968-D972 PolarHBondContact N-OD2 2.88Å; T969-D972 PolarHBondContact N-OD2 3.22Å; T969-D972 PolarHBondContact O-N 3.32Å; T969-D972 PolarHBondContact OG1-OD1 3.04Å; T969-D972 PolarHBondContact OG1-OD2 2.74Å |
| 973 | V | 77 | Confident | 80.8 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | trans | -119.7 | 121.2 | -171.5 | -171.6 | 0 | 0 | 0 | 0 | 109.3 | P967 S971 S977 M1000 I1027 I1030 | P967-V973 HydrophobicContact CB-CG2 3.38Å; S971-V973 VanDerWaalsContact C-N 3.26Å; V973-S977 WeakPolarHBondContact CG1-OG 3.33Å; V973-M1000 HydrophobicContact CG2-CE 4.07Å; V973-I1027 HydrophobicContact CG1-CB 4.22Å; V973-I1027 HydrophobicContact CG1-CD1 4.23Å; V973-I1027 HydrophobicContact CG1-CG1 3.61Å; V973-I1027 HydrophobicContact CG1-CG2 4.17Å; V973-I1030 HydrophobicContact CB-CD1 4.09Å; V973-I1030 HydrophobicContact CG1-CD1 3.91Å; V973-I1030 WeakPolarHBondContact O-CD1 3.41Å | ||
| 974 | D | 78.3 | Confident | 80.9 | Confident | 122 Ų | 122 | 47.4 Ų | 47.4 | 65% | 0.652 | 29% | 0.286 | S | S | * | . | trans | -98.1 | 148.7 | 174 | -71.5 | -43.2 | 0 | 0 | 0 | 111.5 | G976 S977 | D974-G976 PolarHBondContact O-N 2.89Å; D974-S977 PolarHBondContact N-OG 3.2Å; D974-S977 VanDerWaalsContact O-CB 3.28Å; D974-S977 WeakPolarHBondContact O-CB 3.04Å; D974-S977 PolarHBondContact O-N 2.96Å; D974-S977 PolarHBondContact O-OG 3.12Å | ||
| 975 | V | 77.6 | Confident | 81.3 | Confident | 94 Ų | 94 | 50.3 Ų | 50.3 | 57% | 0.57 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 122.3 | 170.4 | 175.4 | 0 | 0 | 0 | 0 | 108.8 | Q1028 I1030 | V975-Q1028 VanDerWaalsContact CG1-O 3.25Å; V975-Q1028 WeakPolarHBondContact CG1-O 3.41Å; V975-I1030 HydrophobicContact CG2-CB 4.44Å; V975-I1030 HydrophobicContact CG2-CD1 4.09Å; V975-I1030 HydrophobicContact CG2-CG1 3.98Å |
| 976 | G | 73.9 | Confident | 81.4 | Confident | 38 Ų | 38 | 49.7 Ų | 49.7 | 39% | 0.392 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.4 | -12.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D974 R1026 I1027 | D974-G976 PolarHBondContact O-N 2.89Å; G976-R1026 WeakPolarHBondContact O-CD 3.46Å; G976-R1026 VanDerWaalsContact O-CG 3.3Å; G976-R1026 WeakPolarHBondContact O-CG 3.38Å; G976-R1026 PolarHBondContact O-NE 3.16Å; G976-I1027 PolarHBondContact N-O 3.44Å |
| 977 | S | 81.6 | Confident | 81.4 | Confident | 38 Ų | 38 | 52.5 Ų | 52.5 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | trans | -69.8 | 155.6 | 173.7 | 66.1 | 0 | 0 | 0 | 0 | 112.2 | V973 D974 R1026 I1027 | V973-S977 WeakPolarHBondContact CG1-OG 3.33Å; D974-S977 PolarHBondContact N-OG 3.2Å; D974-S977 VanDerWaalsContact O-CB 3.28Å; D974-S977 WeakPolarHBondContact O-CB 3.04Å; D974-S977 PolarHBondContact O-N 2.96Å; D974-S977 PolarHBondContact O-OG 3.12Å; S977-R1026 WeakPolarHBondContact O-CA 3.33Å; S977-I1027 PolarHBondContact O-N 3.35Å | ||
| 978 | L | 85.2 | Confident | 81.2 | Confident | 36 Ų | 36 | 60.1 Ų | 60.1 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 131.5 | 172.6 | -70.8 | 178.1 | 0 | 0 | 0 | 110.2 | Y980 V1024 R1026 T1048 | L978-Y980 HydrophobicContact CB-CE2 4.45Å; L978-V1024 HydrophobicContact CB-CG1 4.43Å; L978-V1024 HydrophobicContact CD2-CG1 4.35Å; L978-R1026 HydrophobicContact CD2-CB 4.18Å; L978-T1048 HydrophobicContact CD1-CG2 3.52Å; L978-T1048 WeakPolarHBondContact CD1-OG1 3.38Å; L978-T1048 HydrophobicContact CG-CG2 4.44Å |
| 979 | A | 86.5 | Confident | 81 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.033 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 138.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | F996 V1024 G1025 I1027 I1039 | A979-F996 HydrophobicContact CB-CD1 4.15Å; A979-F996 HydrophobicContact CB-CE1 3.39Å; A979-F996 HydrophobicContact CB-CZ 3.88Å; A979-V1024 WeakPolarHBondContact O-CA 2.8Å; A979-G1025 PolarHBondContact N-O 3.12Å; A979-G1025 PolarHBondContact O-N 3.23Å; A979-I1027 HydrophobicContact CB-CD1 3.95Å; A979-I1027 HydrophobicContact CB-CG1 4.09Å; A979-I1039 HydrophobicContact CB-CD1 4.34Å |
| 980 | Y | 89 | Confident | 80.9 | Confident | 44 Ų | 44 | 60.6 Ų | 60.6 | 17% | 0.173 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 115.9 | -175.3 | -59.6 | -98.7 | 0 | 0 | 0 | 109.5 | V956 A960 I965 L978 F996 V1024 | V956-Y980 HydrophobicContact CG2-CD1 3.73Å; V956-Y980 HydrophobicContact CG2-CE1 4.32Å; A960-Y980 HydrophobicContact CB-CD2 4.4Å; A960-Y980 HydrophobicContact CB-CG 4.31Å; I965-Y980 HydrophobicContact CG2-CE2 4.37Å; L978-Y980 HydrophobicContact CB-CE2 4.45Å; Y980-F996 VanDerWaalsContact O-CD1 3.3Å; Y980-F996 WeakPolarHBondContact O-CD1 3.5Å; Y980-V1024 HydrophobicContact CD1-CB 4.28Å; Y980-V1024 HydrophobicContact CD1-CG1 3.98Å; Y980-V1024 HydrophobicContact CD1-CG2 3.37Å; Y980-V1024 HydrophobicContact CE1-CB 4.37Å; Y980-V1024 HydrophobicContact CE1-CG1 3.75Å; Y980-V1024 HydrophobicContact CE1-CG2 3.65Å; Y980-V1024 HydrophobicContact CG-CG2 4.29Å |
| 981 | G | 90.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | -161.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D995 S1022 V1023 | G981-D995 WeakPolarHBondContact CA-O 3.07Å; G981-S1022 WeakPolarHBondContact O-CA 3.16Å; G981-V1023 PolarHBondContact N-O 2.94Å; G981-V1023 PolarHBondContact O-N 2.96Å; G981-V1023 VanDerWaalsContact O-O 3.14Å |
| 982 | Y | 91.5 | Very high | 82.1 | Confident | 9 Ų | 9 | 54 Ų | 54 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 151.5 | 177.6 | 67 | -79.1 | 0 | 0 | 0 | 110.9 | H916 V943 I957 A984 V994 D995 V1021 | H916-Y982 AromaticContact CE1-CD1 3.88Å; H916-Y982 AromaticContact CE1-CD2 3.79Å; H916-Y982 AromaticContact CE1-CE1 3.63Å; H916-Y982 AromaticContact CE1-CE2 3.49Å; H916-Y982 VanDerWaalsContact CE1-CE2 3.49Å; H916-Y982 WeakPolarHBondContact CE1-CE2 3.27Å; H916-Y982 AromaticContact CE1-CG 3.97Å; H916-Y982 AromaticContact CE1-CZ 3.4Å; H916-Y982 VanDerWaalsContact CE1-CZ 3.4Å; H916-Y982 AromaticContact NE2-CD2 3.84Å; H916-Y982 AromaticContact NE2-CE2 3.39Å; H916-Y982 WeakPolarHBondContact NE2-CE2 3.48Å; H916-Y982 AromaticContact NE2-CZ 3.67Å; V943-Y982 HydrophobicContact CG1-CE1 3.83Å; I957-Y982 HydrophobicContact CD1-CD1 4.01Å; Y982-A984 HydrophobicContact CD2-CB 4.32Å; Y982-A984 HydrophobicContact CE2-CB 3.8Å; Y982-A984 PolarHBondContact O-N 3.22Å; Y982-A984 VanDerWaalsContact O-N 3.16Å; Y982-V994 CarbonylContact O-C 3.57Å; Y982-V994 VanDerWaalsContact O-CA 3.3Å; Y982-V994 WeakPolarHBondContact O-CA 3.34Å; Y982-D995 WeakPolarHBondContact CD1-O 3.46Å; Y982-D995 HydrophobicContact CE1-CB 3.81Å; Y982-D995 HydrophobicContact CE2-CB 4.36Å; Y982-D995 PolarHBondContact N-O 3.06Å; Y982-D995 VanDerWaalsContact N-O 3.12Å; Y982-D995 PolarHBondContact O-N 3.45Å; Y982-V1021 VanDerWaalsContact CA-O 3.25Å; Y982-V1021 WeakPolarHBondContact CA-O 3.3Å |
| 983 | I | 90.8 | Very high | 83 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 108.7 | 176.8 | -59.7 | 173.4 | 0 | 0 | 0 | 108.4 | F992 V1018 L1019 G1020 V1021 V1023 M1041 F1209 | I983-F992 HydrophobicContact CD1-CD1 4.33Å; I983-F992 HydrophobicContact CG2-CB 4.45Å; I983-F992 HydrophobicContact CG2-CD1 3.84Å; I983-V1018 HydrophobicContact CD1-CB 4.01Å; I983-V1018 HydrophobicContact CD1-CG2 4.09Å; I983-L1019 HydrophobicContact CG2-CD2 4.08Å; I983-G1020 PolarHBondContact O-N 3.14Å; I983-V1021 PolarHBondContact N-O 3.16Å; I983-V1023 HydrophobicContact CD1-CG1 3.93Å; I983-V1023 HydrophobicContact CG1-CG1 3.86Å; I983-V1023 HydrophobicContact CG1-CG2 4.18Å; I983-M1041 HydrophobicContact CD1-CE 4.08Å; I983-M1041 HydrophobicContact CG1-CE 4.36Å; I983-F1209 HydrophobicContact CD1-CE1 4.41Å; I983-F1209 HydrophobicContact CD1-CZ 4.23Å |
| 984 | A | 86.2 | Confident | 83.7 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -31.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y982 F993 D995 | Y982-A984 HydrophobicContact CD2-CB 4.32Å; Y982-A984 HydrophobicContact CE2-CB 3.8Å; Y982-A984 PolarHBondContact O-N 3.22Å; Y982-A984 VanDerWaalsContact O-N 3.16Å; A984-F993 PolarHBondContact N-O 3.16Å; A984-D995 HydrophobicContact CB-CB 3.78Å; A984-D995 VanDerWaalsContact CB-OD2 3.27Å; A984-D995 WeakPolarHBondContact CB-OD2 3.42Å |
| 985 | R | 88 | Confident | 84.3 | Confident | 109 Ų | 109 | 44.6 Ų | 44.6 | 41% | 0.411 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 150.4 | -178.8 | 56.8 | -176.8 | -177.3 | -102.9 | 2 | 110.6 | F993 D995 | R985-F993 HydrophobicContact CG-CB 3.42Å; R985-F993 VanDerWaalsContact CG-CB 3.42Å; R985-F993 HydrophobicContact CG-CD2 3.66Å; R985-F993 HydrophobicContact CG-CG 3.66Å; R985-F993 VanDerWaalsContact NE-CG 3.26Å; R985-F993 PolarHBondContact O-N 3.29Å; R985-D995 IonicContact NH1-OD1 2.69Å |
| 986 | Y | 84.6 | Confident | 84.8 | Confident | 86 Ų | 86 | 40.2 Ų | 40.2 | 34% | 0.337 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 138.8 | 170.1 | 171.8 | -104.2 | 0 | 0 | 0 | 109.1 | Q988 F992 P1015 | Y986-Q988 HydrophobicContact CE1-CB 4.42Å; Y986-F992 AromaticContact CD2-CD1 3.63Å; Y986-F992 HydrophobicContact CD2-CD1 3.63Å; Y986-F992 HydrophobicContact CD2-CD2 4.29Å; Y986-F992 AromaticContact CD2-CE1 3.45Å; Y986-F992 HydrophobicContact CD2-CE1 3.45Å; Y986-F992 VanDerWaalsContact CD2-CE1 3.45Å; Y986-F992 HydrophobicContact CD2-CE2 4.13Å; Y986-F992 HydrophobicContact CD2-CG 4.06Å; Y986-F992 AromaticContact CD2-CZ 3.72Å; Y986-F992 HydrophobicContact CD2-CZ 3.72Å; Y986-F992 HydrophobicContact CE2-CE1 4.09Å; Y986-F992 HydrophobicContact CE2-CE2 4.1Å; Y986-F992 AromaticContact CE2-CZ 3.87Å; Y986-F992 HydrophobicContact CE2-CZ 3.87Å; Y986-F992 HydrophobicContact CG-CD1 4.34Å; Y986-F992 HydrophobicContact CG-CE1 4.14Å; Y986-P1015 HydrophobicContact CD1-CB 3.24Å; Y986-P1015 HydrophobicContact CD1-CG 3.68Å; Y986-P1015 HydrophobicContact CD2-CB 3.69Å; Y986-P1015 HydrophobicContact CE1-CB 3.48Å; Y986-P1015 VanDerWaalsContact CE1-CB 3.48Å; Y986-P1015 HydrophobicContact CE1-CG 3.46Å; Y986-P1015 VanDerWaalsContact CE1-CG 3.46Å; Y986-P1015 HydrophobicContact CE2-CB 3.9Å; Y986-P1015 HydrophobicContact CE2-CG 4.47Å; Y986-P1015 HydrophobicContact CG-CB 3.33Å; Y986-P1015 HydrophobicContact CG-CG 4.26Å |
| 987 | N | 81.7 | Confident | 84.9 | Confident | 65 Ų | 65 | 38.5 Ų | 38.5 | 35% | 0.348 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 129.7 | 170.6 | -175.9 | -49.9 | 0 | 0 | 0 | 108.2 | S989 H990 G991 F993 | N987-S989 VanDerWaalsContact C-N 3.25Å; N987-S989 PolarHBondContact O-N 3.26Å; N987-S989 PolarHBondContact OD1-N 3.45Å; N987-S989 PolarHBondContact OD1-OG 3.37Å; N987-H990 HydrophobicContact CB-CB 4.24Å; N987-H990 PolarHBondContact O-N 3.12Å; N987-G991 PolarHBondContact N-O 3Å; N987-G991 WeakPolarHBondContact O-CA 3.22Å; N987-G991 PolarHBondContact O-N 3.02Å; N987-F993 HydrophobicContact CB-CE2 3.81Å |
| 988 | Q | 72.2 | Confident | 84.5 | Confident | 170 Ų | 170 | 37.4 Ų | 37.4 | 79% | 0.794 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -34 | -176.3 | -163.3 | 172.2 | 6.4 | 0 | 0 | 113.2 | Y986 | Y986-Q988 HydrophobicContact CE1-CB 4.42Š|
| 989 | S | 72.9 | Confident | 84 | Confident | 66 Ų | 66 | 40.2 Ų | 40.2 | 46% | 0.462 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -32.4 | 179.4 | 64.7 | 0 | 0 | 0 | 0 | 113.7 | N987 | N987-S989 VanDerWaalsContact C-N 3.25Å; N987-S989 PolarHBondContact O-N 3.26Å; N987-S989 PolarHBondContact OD1-N 3.45Å; N987-S989 PolarHBondContact OD1-OG 3.37Å |
| 990 | H | 72.8 | Confident | 83.7 | Confident | 104 Ų | 104 | 40.3 Ų | 40.3 | 48% | 0.481 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -18.3 | -172.7 | -63.9 | -69.2 | 0 | 0 | 0 | 114.9 | N987 F993 I1003 | N987-H990 HydrophobicContact CB-CB 4.24Å; N987-H990 PolarHBondContact O-N 3.12Å; H990-F993 HydrophobicContact CB-CE2 3.99Å; H990-F993 HydrophobicContact CB-CZ 3.9Å; H990-I1003 VanDerWaalsContact O-CG2 3.28Å; H990-I1003 WeakPolarHBondContact O-CG2 3.47Å |
| 991 | G | 84.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 93.1 | -152.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N987 S1006 | N987-G991 PolarHBondContact N-O 3Å; N987-G991 WeakPolarHBondContact O-CA 3.22Å; N987-G991 PolarHBondContact O-N 3.02Å; G991-S1006 WeakPolarHBondContact CA-OG 3.44Å |
| 992 | F | 88.6 | Confident | 83.6 | Confident | 11 Ų | 11 | 39.8 Ų | 39.8 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 137.2 | -176.7 | -62.8 | -84.5 | 0 | 0 | 0 | 110.9 | I983 Y986 I1003 C1004 L1009 F1013 P1015 V1018 | I983-F992 HydrophobicContact CD1-CD1 4.33Å; I983-F992 HydrophobicContact CG2-CB 4.45Å; I983-F992 HydrophobicContact CG2-CD1 3.84Å; Y986-F992 AromaticContact CD2-CD1 3.63Å; Y986-F992 HydrophobicContact CD2-CD1 3.63Å; Y986-F992 HydrophobicContact CD2-CD2 4.29Å; Y986-F992 AromaticContact CD2-CE1 3.45Å; Y986-F992 HydrophobicContact CD2-CE1 3.45Å; Y986-F992 VanDerWaalsContact CD2-CE1 3.45Å; Y986-F992 HydrophobicContact CD2-CE2 4.13Å; Y986-F992 HydrophobicContact CD2-CG 4.06Å; Y986-F992 AromaticContact CD2-CZ 3.72Å; Y986-F992 HydrophobicContact CD2-CZ 3.72Å; Y986-F992 HydrophobicContact CE2-CE1 4.09Å; Y986-F992 HydrophobicContact CE2-CE2 4.1Å; Y986-F992 AromaticContact CE2-CZ 3.87Å; Y986-F992 HydrophobicContact CE2-CZ 3.87Å; Y986-F992 HydrophobicContact CG-CD1 4.34Å; Y986-F992 HydrophobicContact CG-CE1 4.14Å; F992-I1003 CarbonylContact O-C 3.58Å; F992-I1003 WeakPolarHBondContact O-CA 3.19Å; F992-C1004 HydrophobicContact CB-CB 4.34Å; F992-C1004 PolarHBondContact N-O 2.92Å; F992-C1004 PolarHBondContact O-N 2.62Å; F992-L1009 HydrophobicContact CD2-CD1 3.55Å; F992-L1009 HydrophobicContact CE2-CD1 3.44Å; F992-L1009 VanDerWaalsContact CE2-CD1 3.44Å; F992-L1009 HydrophobicContact CZ-CD1 4.49Å; F992-F1013 HydrophobicContact CE2-CE2 4.24Å; F992-F1013 HydrophobicContact CZ-CD2 4.26Å; F992-F1013 AromaticContact CZ-CE2 3.95Å; F992-F1013 HydrophobicContact CZ-CE2 3.95Å; F992-P1015 HydrophobicContact CE1-CB 4.05Å; F992-P1015 HydrophobicContact CZ-CB 4.3Å; F992-V1018 HydrophobicContact CD1-CG2 4.32Å; F992-V1018 HydrophobicContact CE1-CG2 3.56Å; F992-V1018 HydrophobicContact CZ-CG2 4.25Å |
| 993 | F | 90.2 | Very high | 83.5 | Confident | 26 Ų | 26 | 41.9 Ų | 41.9 | 11% | 0.114 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 122.1 | 171.7 | -64.8 | -104.1 | 0 | 0 | 0 | 109.6 | A984 R985 N987 H990 A1002 I1003 | A984-F993 PolarHBondContact N-O 3.16Å; R985-F993 HydrophobicContact CG-CB 3.42Å; R985-F993 VanDerWaalsContact CG-CB 3.42Å; R985-F993 HydrophobicContact CG-CD2 3.66Å; R985-F993 HydrophobicContact CG-CG 3.66Å; R985-F993 VanDerWaalsContact NE-CG 3.26Å; R985-F993 PolarHBondContact O-N 3.29Å; N987-F993 HydrophobicContact CB-CE2 3.81Å; H990-F993 HydrophobicContact CB-CE2 3.99Å; H990-F993 HydrophobicContact CB-CZ 3.9Å; F993-A1002 CarbonylContact C-O 3.59Å; F993-A1002 VanDerWaalsContact CA-O 3.27Å; F993-A1002 WeakPolarHBondContact CA-O 3.41Å; F993-I1003 HydrophobicContact CD1-CD1 4.31Å; F993-I1003 HydrophobicContact CD1-CG1 3.7Å; F993-I1003 HydrophobicContact CE1-CD1 3.64Å; F993-I1003 HydrophobicContact CE1-CG1 3.55Å; F993-I1003 HydrophobicContact CZ-CD1 4.19Å; F993-I1003 HydrophobicContact CZ-CG1 4.28Å |
| 994 | V | 91.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 118.7 | 179 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | Y982 F996 S1001 A1002 V1023 I1039 M1041 | Y982-V994 CarbonylContact O-C 3.57Å; Y982-V994 VanDerWaalsContact O-CA 3.3Å; Y982-V994 WeakPolarHBondContact O-CA 3.34Å; V994-F996 HydrophobicContact CB-CE2 4.3Å; V994-F996 HydrophobicContact CB-CZ 4.22Å; V994-F996 HydrophobicContact CG1-CE1 4.11Å; V994-F996 HydrophobicContact CG1-CE2 4.05Å; V994-F996 HydrophobicContact CG1-CZ 3.64Å; V994-F996 WeakPolarHBondContact O-CE2 3.36Å; V994-S1001 CarbonylContact O-C 3.54Å; V994-S1001 VanDerWaalsContact O-CA 3.28Å; V994-S1001 WeakPolarHBondContact O-CA 3.23Å; V994-A1002 PolarHBondContact N-O 3.46Å; V994-A1002 PolarHBondContact O-N 3.04Å; V994-V1023 HydrophobicContact CB-CG2 4.45Å; V994-V1023 HydrophobicContact CG1-CG2 3.61Å; V994-V1023 HydrophobicContact CG2-CG2 3.95Å; V994-I1039 HydrophobicContact CG2-CG2 4.14Å; V994-M1041 HydrophobicContact CG2-SD 3.72Å |
| 995 | D | 90.1 | Very high | 83.1 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.011 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 147 | 175.9 | -76.4 | -0.1 | 0 | 0 | 0 | 110.4 | K944 G981 Y982 A984 R985 M1000 S1001 | K944-D995 VanDerWaalsContact CE-OD2 3.29Å; K944-D995 WeakPolarHBondContact CE-OD2 3.29Å; K944-D995 IonicContact NZ-OD2 2.97Å; K944-D995 PolarHBondContact NZ-OD2 3.2Å; G981-D995 WeakPolarHBondContact CA-O 3.07Å; Y982-D995 WeakPolarHBondContact CD1-O 3.46Å; Y982-D995 HydrophobicContact CE1-CB 3.81Å; Y982-D995 HydrophobicContact CE2-CB 4.36Å; Y982-D995 PolarHBondContact N-O 3.06Å; Y982-D995 VanDerWaalsContact N-O 3.12Å; Y982-D995 PolarHBondContact O-N 3.45Å; A984-D995 HydrophobicContact CB-CB 3.78Å; A984-D995 VanDerWaalsContact CB-OD2 3.27Å; A984-D995 WeakPolarHBondContact CB-OD2 3.42Å; R985-D995 IonicContact NH1-OD1 2.69Å; D995-M1000 WeakPolarHBondContact CA-O 3.39Å; D995-S1001 VanDerWaalsContact OD1-CB 3.27Å; D995-S1001 WeakPolarHBondContact OD1-CB 3.38Å; D995-S1001 PolarHBondContact OD1-OG 2.63Å |
| 996 | F | 88.2 | Confident | 82.4 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 157.6 | 178.9 | -55.8 | -87.6 | 0 | 0 | 0 | 110.1 | P967 A979 Y980 V994 G998 M1000 A1002 M1037 I1039 | P967-F996 HydrophobicContact CG-CB 3.98Å; P967-F996 HydrophobicContact CG-CD1 3.89Å; P967-F996 HydrophobicContact CG-CG 4.03Å; A979-F996 HydrophobicContact CB-CD1 4.15Å; A979-F996 HydrophobicContact CB-CE1 3.39Å; A979-F996 HydrophobicContact CB-CZ 3.88Å; Y980-F996 VanDerWaalsContact O-CD1 3.3Å; Y980-F996 WeakPolarHBondContact O-CD1 3.5Å; V994-F996 HydrophobicContact CB-CE2 4.3Å; V994-F996 HydrophobicContact CB-CZ 4.22Å; V994-F996 HydrophobicContact CG1-CE1 4.11Å; V994-F996 HydrophobicContact CG1-CE2 4.05Å; V994-F996 HydrophobicContact CG1-CZ 3.64Å; V994-F996 WeakPolarHBondContact O-CE2 3.36Å; F996-G998 PolarHBondContact O-N 3.39Å; F996-M1000 HydrophobicContact CB-CB 4.28Å; F996-M1000 HydrophobicContact CD2-CB 4.37Å; F996-M1000 PolarHBondContact N-O 3.17Å; F996-A1002 HydrophobicContact CE2-CB 3.68Å; F996-A1002 HydrophobicContact CZ-CB 4.19Å; F996-M1037 HydrophobicContact CD2-CE 3.29Å; F996-M1037 HydrophobicContact CE2-CE 3.27Å; F996-M1037 HydrophobicContact CE2-SD 4.34Å; F996-M1037 HydrophobicContact CG-CE 4.4Å; F996-M1037 HydrophobicContact CZ-CE 4.35Å; F996-I1039 HydrophobicContact CZ-CD1 3.87Å |
| 997 | P | 77.8 | Confident | 81.6 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 132.7 | 169.7 | -23.3 | 33.9 | 0 | 0 | 0 | 110.7 | F885 V941 I957 V961 | F885-P997 HydrophobicContact CD1-CB 4.45Å; F885-P997 HydrophobicContact CE1-CB 4.09Å; F885-P997 WeakPolarHBondContact CE1-O 3.46Å; V941-P997 HydrophobicContact CG1-CB 4.36Å; I957-P997 HydrophobicContact CG2-CG 3.48Å; I957-P997 VanDerWaalsContact CG2-CG 3.48Å; V961-P997 HydrophobicContact CG2-CB 4.4Å; V961-P997 HydrophobicContact CG2-CG 4.2Å |
| 998 | G | 72.6 | Confident | 80.7 | Confident | 15 Ų | 15 | 38.3 Ų | 38.3 | 16% | 0.155 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | 23.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | V943 F996 M1000 | V943-G998 PolarHBondContact O-N 3.18Å; F996-G998 PolarHBondContact O-N 3.39Å; G998-M1000 VanDerWaalsContact C-N 3.34Å; G998-M1000 PolarHBondContact O-N 3.32Å |
| 999 | H | 73.6 | Confident | 80.3 | Confident | 95 Ų | 95 | 31.3 Ų | 31.3 | 44% | 0.44 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 26 | 176.6 | -58 | -87.6 | 0 | 0 | 0 | 115.9 | K944 V945 | K944-H999 VanDerWaalsContact CA-CE1 3.47Å; K944-H999 WeakPolarHBondContact CA-CE1 3.48Å; V945-H999 PolarHBondContact N-CE1 2.91Å; V945-H999 PolarHBondContact N-NE2 3.48Å |
| 1000 | M | 80.9 | Confident | 79.7 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 142.8 | 172.5 | -68.5 | 177.6 | 57.6 | 0 | 0 | 110.9 | P967 F970 V973 D995 F996 G998 M1037 | P967-M1000 HydrophobicContact CB-CE 4.43Å; F970-M1000 HydrophobicContact CB-CE 4.42Å; F970-M1000 HydrophobicContact CD1-CE 3.8Å; F970-M1000 HydrophobicContact CD2-CE 4.31Å; F970-M1000 HydrophobicContact CD2-CG 4.35Å; F970-M1000 HydrophobicContact CD2-SD 4.49Å; F970-M1000 HydrophobicContact CE1-CE 4.08Å; F970-M1000 HydrophobicContact CE2-CG 3.99Å; F970-M1000 HydrophobicContact CG-CE 3.93Å; F970-M1000 HydrophobicContact CZ-CE 4.44Å; F970-M1000 HydrophobicContact CZ-CG 4.18Å; V973-M1000 HydrophobicContact CG2-CE 4.07Å; D995-M1000 WeakPolarHBondContact CA-O 3.39Å; F996-M1000 HydrophobicContact CB-CB 4.28Å; F996-M1000 HydrophobicContact CD2-CB 4.37Å; F996-M1000 PolarHBondContact N-O 3.17Å; G998-M1000 VanDerWaalsContact C-N 3.34Å; G998-M1000 PolarHBondContact O-N 3.32Å; M1000-M1037 HydrophobicContact CB-CE 3.84Å; M1000-M1037 HydrophobicContact CE-CE 3.92Å; M1000-M1037 HydrophobicContact CE-SD 4.15Å |
| 1001 | S | 87 | Confident | 79 | Confident | 33 Ų | 33 | 35.8 Ų | 35.8 | 23% | 0.231 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 139.8 | 176.3 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | V994 D995 M1037 | V994-S1001 CarbonylContact O-C 3.54Å; V994-S1001 VanDerWaalsContact O-CA 3.28Å; V994-S1001 WeakPolarHBondContact O-CA 3.23Å; D995-S1001 VanDerWaalsContact OD1-CB 3.27Å; D995-S1001 WeakPolarHBondContact OD1-CB 3.38Å; D995-S1001 PolarHBondContact OD1-OG 2.63Å; S1001-M1037 VanDerWaalsContact O-CE 3.3Å; S1001-M1037 WeakPolarHBondContact O-CE 3.45Å; S1001-M1037 VanDerWaalsContact O-CG 3.31Å; S1001-M1037 WeakPolarHBondContact O-CG 3.47Å |
| 1002 | A | 89.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 154.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F993 V994 F996 M1037 I1039 | F993-A1002 CarbonylContact C-O 3.59Å; F993-A1002 VanDerWaalsContact CA-O 3.27Å; F993-A1002 WeakPolarHBondContact CA-O 3.41Å; V994-A1002 PolarHBondContact N-O 3.46Å; V994-A1002 PolarHBondContact O-N 3.04Å; F996-A1002 HydrophobicContact CE2-CB 3.68Å; F996-A1002 HydrophobicContact CZ-CB 4.19Å; A1002-M1037 CarbonylContact C-O 3.27Å; A1002-M1037 VanDerWaalsContact CA-O 3.31Å; A1002-M1037 WeakPolarHBondContact CA-O 3.44Å; A1002-M1037 HydrophobicContact CB-CE 3.85Å; A1002-M1037 HydrophobicContact CB-CG 3.58Å; A1002-M1037 HydrophobicContact CB-SD 3.97Å; A1002-I1039 HydrophobicContact CB-CB 3.91Å; A1002-I1039 HydrophobicContact CB-CG2 3.73Å |
| 1003 | I | 89.5 | Confident | 76.7 | Confident | 53 Ų | 53 | 46.3 Ų | 46.3 | 27% | 0.272 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 126.6 | 174.9 | -56.7 | 176.7 | 0 | 0 | 0 | 109.3 | H990 F992 F993 M1037 S1038 I1039 | H990-I1003 VanDerWaalsContact O-CG2 3.28Å; H990-I1003 WeakPolarHBondContact O-CG2 3.47Å; F992-I1003 CarbonylContact O-C 3.58Å; F992-I1003 WeakPolarHBondContact O-CA 3.19Å; F993-I1003 HydrophobicContact CD1-CD1 4.31Å; F993-I1003 HydrophobicContact CD1-CG1 3.7Å; F993-I1003 HydrophobicContact CE1-CD1 3.64Å; F993-I1003 HydrophobicContact CE1-CG1 3.55Å; F993-I1003 HydrophobicContact CZ-CD1 4.19Å; F993-I1003 HydrophobicContact CZ-CG1 4.28Å; I1003-M1037 PolarHBondContact N-O 3.35Å; I1003-S1038 VanDerWaalsContact O-CA 3.26Å; I1003-S1038 WeakPolarHBondContact O-CA 3.4Å; I1003-I1039 PolarHBondContact O-N 2.88Å |
| 1004 | C | 88.1 | Confident | 75.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 108.7 | 165.6 | -167.6 | 0 | 0 | 0 | 0 | 108.5 | F992 I1039 M1041 | F992-C1004 HydrophobicContact CB-CB 4.34Å; F992-C1004 PolarHBondContact N-O 2.92Å; F992-C1004 PolarHBondContact O-N 2.62Å; C1004-I1039 HydrophobicContact CB-CG2 3.87Å; C1004-I1039 PolarHBondContact SG-O 3.14Å; C1004-M1041 HydrophobicContact CB-CG 4.31Å; C1004-M1041 HydrophobicContact CB-SD 3.74Å |
| 1005 | A | 82 | Confident | 74.7 | Confident | 51 Ų | 51 | 51.2 Ų | 51.2 | 42% | 0.421 | 28% | 0.281 | S | S | . | . | trans | -64.6 | 140.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | G1007 S1008 | A1005-G1007 PolarHBondContact O-N 3.42Å; A1005-S1008 WeakPolarHBondContact O-CB 3.17Å; A1005-S1008 PolarHBondContact O-N 3.37Å | ||
| 1006 | S | 71.9 | Confident | 73.8 | Confident | 55 Ų | 55 | 58.5 Ų | 58.5 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -53.8 | -29.4 | -176.1 | -53.4 | 0 | 0 | 0 | 0 | 113.7 | G991 S1008 | G991-S1006 WeakPolarHBondContact CA-OG 3.44Å; S1006-S1008 VanDerWaalsContact C-N 3.31Å; S1006-S1008 PolarHBondContact O-N 3.35Å |
| 1007 | G | 68.1 | Low | 73 | Confident | 80 Ų | 80 | 62 Ų | 62 | 83% | 0.825 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -76.9 | -6.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | A1005 | A1005-G1007 PolarHBondContact O-N 3.42Š|
| 1008 | S | 63.1 | Low | 73 | Confident | 34 Ų | 34 | 62.1 Ų | 62.1 | 24% | 0.238 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -88.2 | -10.3 | 179.2 | -64.1 | 0 | 0 | 0 | 0 | 114.1 | A1005 S1006 | A1005-S1008 WeakPolarHBondContact O-CB 3.17Å; A1005-S1008 PolarHBondContact O-N 3.37Å; S1006-S1008 VanDerWaalsContact C-N 3.31Å; S1006-S1008 PolarHBondContact O-N 3.35Å |
| 1009 | L | 64 | Low | 73.4 | Confident | 24 Ų | 24 | 64.7 Ų | 64.7 | 13% | 0.126 | 35% | 0.35 | C | S | . | . | trans | -95.9 | 126.4 | 177.6 | -70.4 | 161.1 | 0 | 0 | 0 | 109.6 | F992 Y1011 F1013 M1041 | F992-L1009 HydrophobicContact CD2-CD1 3.55Å; F992-L1009 HydrophobicContact CE2-CD1 3.44Å; F992-L1009 VanDerWaalsContact CE2-CD1 3.44Å; F992-L1009 HydrophobicContact CZ-CD1 4.49Å; L1009-Y1011 VanDerWaalsContact C-N 3.28Å; L1009-Y1011 PolarHBondContact O-N 2.74Å; L1009-F1013 HydrophobicContact CB-CZ 4.44Å; L1009-F1013 HydrophobicContact CD1-CE2 4Å; L1009-F1013 HydrophobicContact CD1-CZ 3.71Å; L1009-F1013 HydrophobicContact CD2-CZ 3.94Å; L1009-F1013 HydrophobicContact CG-CZ 4.23Å; L1009-M1041 HydrophobicContact CD2-CB 3.7Å; L1009-M1041 HydrophobicContact CD2-CE 4.49Å | ||
| 1010 | R | 59.1 | Low | 73.9 | Confident | 152 Ų | 152 | 60.5 Ų | 60.5 | 57% | 0.574 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -66.6 | -30.6 | 179.2 | -73.1 | -173.1 | -168.3 | -163.6 | 0.1 | 113.4 | D1042 | R1010-D1042 IonicContact CZ-OD2 2.89Å; R1010-D1042 IonicContact NE-OD1 3.85Å; R1010-D1042 PolarHBondContact NE-OD1 2.81Å; R1010-D1042 IonicContact NE-OD2 2.66Å; R1010-D1042 PolarHBondContact NE-OD2 2.92Å; R1010-D1042 IonicContact NH2-OD2 2.75Å; R1010-D1042 PolarHBondContact NH2-OD2 3.39Å |
| 1011 | Y | 59.5 | Low | 74.3 | Confident | 111 Ų | 111 | 60.9 Ų | 60.9 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -117 | 132.1 | -173.8 | -55.2 | -75.9 | 0 | 0 | 0 | 108.4 | L1009 F1013 V1211 | L1009-Y1011 VanDerWaalsContact C-N 3.28Å; L1009-Y1011 PolarHBondContact O-N 2.74Å; Y1011-F1013 WeakPolarHBondContact O-CD1 3.25Å; Y1011-F1013 WeakPolarHBondContact O-CE1 3.35Å; Y1011-V1211 HydrophobicContact CD1-CG1 4.42Å; Y1011-V1211 HydrophobicContact CD1-CG2 4.31Å; Y1011-V1211 HydrophobicContact CD2-CG1 4.49Å; Y1011-V1211 HydrophobicContact CD2-CG2 3.97Å; Y1011-V1211 HydrophobicContact CE1-CG1 4.15Å; Y1011-V1211 HydrophobicContact CE2-CG1 4.22Å; Y1011-V1211 HydrophobicContact CE2-CG2 4.48Å; Y1011-V1211 HydrophobicContact CG-CG2 3.87Å |
| 1012 | K | 57.6 | Low | 74.4 | Confident | 186 Ų | 186 | 59.4 Ų | 59.4 | 81% | 0.809 | 33% | 0.325 | S | S | * | . | trans | -89.1 | 133.9 | 175.6 | -70.3 | -173.6 | 175.1 | -173.4 | 0 | 108.8 | ||||
| 1013 | F | 66.6 | Low | 74.5 | Confident | 47 Ų | 47 | 59.4 Ų | 59.4 | 21% | 0.206 | 33% | 0.325 | C | S | . | . | trans | -134.7 | 160.7 | 176.7 | 24.6 | -95.3 | 0 | 0 | 0 | 109.1 | F992 L1009 Y1011 P1015 V1018 F1209 | F992-F1013 HydrophobicContact CE2-CE2 4.24Å; F992-F1013 HydrophobicContact CZ-CD2 4.26Å; F992-F1013 AromaticContact CZ-CE2 3.95Å; F992-F1013 HydrophobicContact CZ-CE2 3.95Å; L1009-F1013 HydrophobicContact CB-CZ 4.44Å; L1009-F1013 HydrophobicContact CD1-CE2 4Å; L1009-F1013 HydrophobicContact CD1-CZ 3.71Å; L1009-F1013 HydrophobicContact CD2-CZ 3.94Å; L1009-F1013 HydrophobicContact CG-CZ 4.23Å; Y1011-F1013 WeakPolarHBondContact O-CD1 3.25Å; Y1011-F1013 WeakPolarHBondContact O-CE1 3.35Å; F1013-P1015 WeakPolarHBondContact O-CD 3.42Å; F1013-V1018 HydrophobicContact CB-CG1 4.46Å; F1013-V1018 HydrophobicContact CD2-CB 4.46Å; F1013-V1018 HydrophobicContact CD2-CG1 3.68Å; F1013-V1018 HydrophobicContact CD2-CG2 4.07Å; F1013-V1018 HydrophobicContact CE2-CG1 4.25Å; F1013-V1018 HydrophobicContact CE2-CG2 4.37Å; F1013-V1018 HydrophobicContact CG-CG1 4.26Å; F1013-F1209 HydrophobicContact CD1-CB 4.23Å; F1013-F1209 AromaticContact CD1-CD2 3.84Å; F1013-F1209 HydrophobicContact CD1-CD2 3.84Å; F1013-F1209 HydrophobicContact CD1-CG 4.31Å; F1013-F1209 HydrophobicContact CD2-CD2 4.44Å; F1013-F1209 AromaticContact CE1-CD2 3.34Å; F1013-F1209 HydrophobicContact CE1-CD2 3.34Å; F1013-F1209 AromaticContact CE1-CE2 3.79Å; F1013-F1209 HydrophobicContact CE1-CE2 3.79Å; F1013-F1209 HydrophobicContact CE1-CG 4.24Å; F1013-F1209 HydrophobicContact CE2-CD2 4Å; F1013-F1209 AromaticContact CE2-CE2 3.93Å; F1013-F1209 HydrophobicContact CE2-CE2 3.93Å; F1013-F1209 HydrophobicContact CE2-CZ 4.47Å; F1013-F1209 HydrophobicContact CG-CB 4.49Å; F1013-F1209 HydrophobicContact CG-CD2 4.35Å; F1013-F1209 AromaticContact CZ-CD2 3.42Å; F1013-F1209 HydrophobicContact CZ-CD2 3.42Å; F1013-F1209 VanDerWaalsContact CZ-CD2 3.42Å; F1013-F1209 AromaticContact CZ-CE2 3.37Å; F1013-F1209 HydrophobicContact CZ-CE2 3.37Å; F1013-F1209 HydrophobicContact CZ-CG 4.37Å; F1013-F1209 HydrophobicContact CZ-CZ 4.3Å | ||
| 1014 | D | 70 | Confident | 74.4 | Confident | 97 Ų | 97 | 57 Ų | 57 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | trans | -64.6 | 116.5 | 178.7 | -177.2 | -2.7 | 0 | 0 | 0 | 109.8 | E1016 S1017 | D1014-E1016 PolarHBondContact O-N 2.83Å; D1014-E1016 PolarHBondContact OD1-N 3.4Å; D1014-S1017 PolarHBondContact O-N 3.16Å; D1014-S1017 VanDerWaalsContact O-N 3.14Å; D1014-S1017 PolarHBondContact O-OG 2.99Å | ||
| 1015 | P | 70.3 | Confident | 74.4 | Confident | 32 Ų | 32 | 57.1 Ų | 57.1 | 21% | 0.208 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -28.6 | -173.5 | 20.3 | -31.2 | 0 | 0 | 0 | 114.2 | Y986 F992 F1013 V1018 | Y986-P1015 HydrophobicContact CD1-CB 3.24Å; Y986-P1015 HydrophobicContact CD1-CG 3.68Å; Y986-P1015 HydrophobicContact CD2-CB 3.69Å; Y986-P1015 HydrophobicContact CE1-CB 3.48Å; Y986-P1015 VanDerWaalsContact CE1-CB 3.48Å; Y986-P1015 HydrophobicContact CE1-CG 3.46Å; Y986-P1015 VanDerWaalsContact CE1-CG 3.46Å; Y986-P1015 HydrophobicContact CE2-CB 3.9Å; Y986-P1015 HydrophobicContact CE2-CG 4.47Å; Y986-P1015 HydrophobicContact CG-CB 3.33Å; Y986-P1015 HydrophobicContact CG-CG 4.26Å; F992-P1015 HydrophobicContact CE1-CB 4.05Å; F992-P1015 HydrophobicContact CZ-CB 4.3Å; F1013-P1015 WeakPolarHBondContact O-CD 3.42Å; P1015-V1018 VanDerWaalsContact O-CG2 3.31Å; P1015-V1018 WeakPolarHBondContact O-CG2 3.34Å |
| 1016 | E | 70.9 | Confident | 74.6 | Confident | 154 Ų | 154 | 59.1 Ų | 59.1 | 72% | 0.72 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -37.5 | 177.7 | -67 | -168.2 | 167.8 | 0 | 0 | 111.7 | D1014 V1018 L1019 | D1014-E1016 PolarHBondContact O-N 2.83Å; D1014-E1016 PolarHBondContact OD1-N 3.4Å; E1016-V1018 PolarHBondContact O-N 3.47Å; E1016-L1019 PolarHBondContact O-N 2.79Å |
| 1017 | S | 70.9 | Confident | 75.3 | Confident | 76 Ų | 76 | 56.6 Ų | 56.6 | 53% | 0.531 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -18.2 | -179.2 | 73.3 | 0 | 0 | 0 | 0 | 114.5 | D1014 | D1014-S1017 PolarHBondContact O-N 3.16Å; D1014-S1017 VanDerWaalsContact O-N 3.14Å; D1014-S1017 PolarHBondContact O-OG 2.99Å |
| 1018 | V | 77 | Confident | 76.1 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.024 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -1.4 | -177.8 | -64.2 | 0 | 0 | 0 | 0 | 113.7 | I983 F992 F1013 P1015 E1016 G1020 V1021 F1209 | I983-V1018 HydrophobicContact CD1-CB 4.01Å; I983-V1018 HydrophobicContact CD1-CG2 4.09Å; F992-V1018 HydrophobicContact CD1-CG2 4.32Å; F992-V1018 HydrophobicContact CE1-CG2 3.56Å; F992-V1018 HydrophobicContact CZ-CG2 4.25Å; F1013-V1018 HydrophobicContact CB-CG1 4.46Å; F1013-V1018 HydrophobicContact CD2-CB 4.46Å; F1013-V1018 HydrophobicContact CD2-CG1 3.68Å; F1013-V1018 HydrophobicContact CD2-CG2 4.07Å; F1013-V1018 HydrophobicContact CE2-CG1 4.25Å; F1013-V1018 HydrophobicContact CE2-CG2 4.37Å; F1013-V1018 HydrophobicContact CG-CG1 4.26Å; P1015-V1018 VanDerWaalsContact O-CG2 3.31Å; P1015-V1018 WeakPolarHBondContact O-CG2 3.34Å; E1016-V1018 PolarHBondContact O-N 3.47Å; V1018-G1020 PolarHBondContact O-N 3.47Å; V1018-V1021 HydrophobicContact CB-CG2 4.28Å; V1018-V1021 WeakPolarHBondContact O-CB 3.48Å; V1018-V1021 WeakPolarHBondContact O-CG2 3.46Å; V1018-V1021 PolarHBondContact O-N 3Å; V1018-V1021 VanDerWaalsContact O-N 3.14Å; V1018-F1209 HydrophobicContact CB-CD1 4.49Å; V1018-F1209 HydrophobicContact CB-CE1 4.35Å; V1018-F1209 HydrophobicContact CG1-CD1 3.71Å; V1018-F1209 HydrophobicContact CG1-CE1 4.03Å; V1018-F1209 HydrophobicContact CG1-CG 4.18Å |
| 1019 | L | 81.9 | Confident | 77 | Confident | 69 Ų | 69 | 62.4 Ų | 62.4 | 36% | 0.361 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 130.9 | 174 | -66.2 | 176.4 | 0 | 0 | 0 | 109.9 | L921 I983 E1016 V1021 | L921-L1019 WeakPolarHBondContact CD1-O 3.48Å; I983-L1019 HydrophobicContact CG2-CD2 4.08Å; E1016-L1019 PolarHBondContact O-N 2.79Å; L1019-V1021 VanDerWaalsContact C-N 3.32Å; L1019-V1021 PolarHBondContact O-N 2.93Å |
| 1020 | G | 84.9 | Confident | 77.7 | Confident | 8 Ų | 8 | 63.3 Ų | 63.3 | 8% | 0.082 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -5.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115 | K954 I983 V1018 | K954-G1020 WeakPolarHBondContact CE-O 3.35Å; K954-G1020 PolarHBondContact NZ-O 3.33Å; I983-G1020 PolarHBondContact O-N 3.14Å; V1018-G1020 PolarHBondContact O-N 3.47Å |
| 1021 | V | 87.9 | Confident | 78.7 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | trans | -69.8 | 137 | 180 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | L921 Y982 I983 V1018 L1019 F1209 | L921-V1021 HydrophobicContact CD1-CB 4.25Å; L921-V1021 HydrophobicContact CD1-CG2 3.38Å; L921-V1021 HydrophobicContact CG-CG2 4.19Å; Y982-V1021 VanDerWaalsContact CA-O 3.25Å; Y982-V1021 WeakPolarHBondContact CA-O 3.3Å; I983-V1021 PolarHBondContact N-O 3.16Å; V1018-V1021 HydrophobicContact CB-CG2 4.28Å; V1018-V1021 WeakPolarHBondContact O-CB 3.48Å; V1018-V1021 WeakPolarHBondContact O-CG2 3.46Å; V1018-V1021 PolarHBondContact O-N 3Å; V1018-V1021 VanDerWaalsContact O-N 3.14Å; L1019-V1021 VanDerWaalsContact C-N 3.32Å; L1019-V1021 PolarHBondContact O-N 2.93Å; V1021-F1209 HydrophobicContact CB-CE1 4.01Å; V1021-F1209 HydrophobicContact CG1-CD1 4.1Å; V1021-F1209 HydrophobicContact CG1-CE1 3.56Å; V1021-F1209 HydrophobicContact CG2-CE1 4.38Å | ||
| 1022 | S | 90.4 | Very high | 79.3 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.007 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 129.8 | 174.4 | -48 | 0 | 0 | 0 | 0 | 110.2 | D919 K954 G981 | D919-S1022 WeakPolarHBondContact OD1-CB 3.04Å; D919-S1022 PolarHBondContact OD1-OG 3.37Å; K954-S1022 VanDerWaalsContact CD-OG 3.31Å; K954-S1022 WeakPolarHBondContact CD-OG 3.02Å; K954-S1022 PolarHBondContact NZ-OG 2.66Å; G981-S1022 WeakPolarHBondContact O-CA 3.16Å |
| 1023 | V | 90.4 | Very high | 80 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 150 | -174.1 | -64.2 | 0 | 0 | 0 | 0 | 111.2 | G981 I983 V994 M1041 N1207 F1209 | G981-V1023 PolarHBondContact N-O 2.94Å; G981-V1023 PolarHBondContact O-N 2.96Å; G981-V1023 VanDerWaalsContact O-O 3.14Å; I983-V1023 HydrophobicContact CD1-CG1 3.93Å; I983-V1023 HydrophobicContact CG1-CG1 3.86Å; I983-V1023 HydrophobicContact CG1-CG2 4.18Å; V994-V1023 HydrophobicContact CB-CG2 4.45Å; V994-V1023 HydrophobicContact CG1-CG2 3.61Å; V994-V1023 HydrophobicContact CG2-CG2 3.95Å; V1023-M1041 HydrophobicContact CB-CE 3.8Å; V1023-M1041 HydrophobicContact CG1-CE 3.52Å; V1023-M1041 HydrophobicContact CG2-CE 4.13Å; V1023-M1041 HydrophobicContact CG2-SD 4.36Å; V1023-N1207 WeakPolarHBondContact CA-OD1 3.19Å; V1023-N1207 WeakPolarHBondContact CB-OD1 3.28Å; V1023-F1209 HydrophobicContact CG1-CE1 4.29Å; V1023-F1209 HydrophobicContact CG1-CZ 3.88Å |
| 1024 | V | 88.1 | Confident | 80.3 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 114.5 | 177.9 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | L978 A979 Y980 S1046 Y1206 N1207 | L978-V1024 HydrophobicContact CB-CG1 4.43Å; L978-V1024 HydrophobicContact CD2-CG1 4.35Å; A979-V1024 WeakPolarHBondContact O-CA 2.8Å; Y980-V1024 HydrophobicContact CD1-CB 4.28Å; Y980-V1024 HydrophobicContact CD1-CG1 3.98Å; Y980-V1024 HydrophobicContact CD1-CG2 3.37Å; Y980-V1024 HydrophobicContact CE1-CB 4.37Å; Y980-V1024 HydrophobicContact CE1-CG1 3.75Å; Y980-V1024 HydrophobicContact CE1-CG2 3.65Å; Y980-V1024 HydrophobicContact CG-CG2 4.29Å; V1024-S1046 VanDerWaalsContact O-CB 3.27Å; V1024-S1046 WeakPolarHBondContact O-CB 3.39Å; V1024-S1046 PolarHBondContact O-OG 3.49Å; V1024-Y1206 HydrophobicContact CB-CD2 4.48Å; V1024-Y1206 HydrophobicContact CG2-CD2 3.5Å; V1024-Y1206 HydrophobicContact CG2-CE2 4.19Å; V1024-Y1206 HydrophobicContact CG2-CG 3.93Å; V1024-N1207 PolarHBondContact N-OD1 3.45Å; V1024-N1207 PolarHBondContact O-ND2 2.79Å; V1024-N1207 PolarHBondContact O-OD1 2.81Å |
| 1025 | G | 88.2 | Confident | 80.4 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 154 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A979 I1039 N1040 | A979-G1025 PolarHBondContact N-O 3.12Å; A979-G1025 PolarHBondContact O-N 3.23Å; G1025-I1039 VanDerWaalsContact CA-CD1 3.48Å; G1025-N1040 CarbonylContact C-O 3.48Å; G1025-N1040 WeakPolarHBondContact CA-O 3.16Å |
| 1026 | R | 86.1 | Confident | 80.8 | Confident | 93 Ų | 93 | 66.6 Ų | 66.6 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 125.8 | 175.2 | -174.1 | 171.3 | -74.1 | 169 | 2.4 | 110 | G976 S977 L978 Q1028 N1040 N1045 | G976-R1026 WeakPolarHBondContact O-CD 3.46Å; G976-R1026 VanDerWaalsContact O-CG 3.3Å; G976-R1026 WeakPolarHBondContact O-CG 3.38Å; G976-R1026 PolarHBondContact O-NE 3.16Å; S977-R1026 WeakPolarHBondContact O-CA 3.33Å; L978-R1026 HydrophobicContact CD2-CB 4.18Å; R1026-Q1028 PolarHBondContact O-N 3.33Å; R1026-N1040 PolarHBondContact N-O 3.49Å; R1026-N1040 PolarHBondContact O-N 3.34Å; R1026-N1045 PolarHBondContact NE-O 3.43Å; R1026-N1045 PolarHBondContact NH1-O 2.75Å; R1026-N1045 PolarHBondContact NH2-O 2.89Å |
| 1027 | I | 86.4 | Confident | 81.5 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 122 | -177.3 | -59.6 | -70.3 | 0 | 0 | 0 | 109.8 | V973 G976 S977 A979 I1030 M1037 I1039 | V973-I1027 HydrophobicContact CG1-CB 4.22Å; V973-I1027 HydrophobicContact CG1-CD1 4.23Å; V973-I1027 HydrophobicContact CG1-CG1 3.61Å; V973-I1027 HydrophobicContact CG1-CG2 4.17Å; G976-I1027 PolarHBondContact N-O 3.44Å; S977-I1027 PolarHBondContact O-N 3.35Å; A979-I1027 HydrophobicContact CB-CD1 3.95Å; A979-I1027 HydrophobicContact CB-CG1 4.09Å; I1027-I1030 HydrophobicContact CG2-CD1 3.72Å; I1027-I1030 HydrophobicContact CG2-CG1 3.43Å; I1027-I1030 VanDerWaalsContact CG2-CG1 3.43Å; I1027-M1037 HydrophobicContact CD1-SD 4.06Å; I1027-I1039 HydrophobicContact CD1-CB 4.24Å; I1027-I1039 HydrophobicContact CD1-CD1 3.97Å; I1027-I1039 HydrophobicContact CD1-CG1 4.07Å |
| 1028 | Q | 84.8 | Confident | 82.3 | Confident | 92 Ų | 92 | 57.7 Ų | 57.7 | 43% | 0.43 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -38.5 | -176.8 | -72.5 | -173 | -41.4 | 0 | 0 | 113.1 | V975 R1026 S1038 N1040 | V975-Q1028 VanDerWaalsContact CG1-O 3.25Å; V975-Q1028 WeakPolarHBondContact CG1-O 3.41Å; R1026-Q1028 PolarHBondContact O-N 3.33Å; Q1028-S1038 PolarHBondContact N-O 3.35Å; Q1028-N1040 HydrophobicContact CG-CB 3.77Å; Q1028-N1040 PolarHBondContact NE2-ND2 3.33Å |
| 1029 | K | 81.5 | Confident | 82.9 | Confident | 144 Ų | 144 | 57.6 Ų | 57.6 | 63% | 0.626 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 135.7 | -175.3 | -163.7 | -178.3 | 177 | -177.9 | 0 | 109.4 | M1037 S1038 | K1029-M1037 CarbonylContact O-C 3.44Å; K1029-M1037 WeakPolarHBondContact O-CA 3.48Å; K1029-S1038 WeakPolarHBondContact CB-OG 3.45Å; K1029-S1038 PolarHBondContact N-O 2.81Å; K1029-S1038 PolarHBondContact N-OG 3.1Å; K1029-S1038 PolarHBondContact O-N 3.12Å; K1029-S1038 PolarHBondContact O-OG 3.21Å |
| 1030 | I | 80.3 | Confident | 83 | Confident | 43 Ų | 43 | 55.2 Ų | 55.2 | 22% | 0.221 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 124.4 | 177.4 | -55.5 | 174.1 | 0 | 0 | 0 | 107 | V973 V975 I1027 | V973-I1030 HydrophobicContact CB-CD1 4.09Å; V973-I1030 HydrophobicContact CG1-CD1 3.91Å; V973-I1030 WeakPolarHBondContact O-CD1 3.41Å; V975-I1030 HydrophobicContact CG2-CB 4.44Å; V975-I1030 HydrophobicContact CG2-CD1 4.09Å; V975-I1030 HydrophobicContact CG2-CG1 3.98Å; I1027-I1030 HydrophobicContact CG2-CD1 3.72Å; I1027-I1030 HydrophobicContact CG2-CG1 3.43Å; I1027-I1030 VanDerWaalsContact CG2-CG1 3.43Å |
| 1031 | D | 79.9 | Confident | 83 | Confident | 52 Ų | 52 | 55 Ų | 55 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 92.1 | 171.3 | -174.4 | -20.2 | 0 | 0 | 0 | 107.5 | V1033 R1034 K1035 N1036 | D1031-V1033 VanDerWaalsContact C-N 3.26Å; D1031-V1033 PolarHBondContact O-N 2.84Å; D1031-V1033 PolarHBondContact OD1-N 3.1Å; D1031-R1034 HydrophobicContact CB-CB 4.4Å; D1031-R1034 PolarHBondContact O-N 3.38Å; D1031-R1034 PolarHBondContact OD1-N 3.29Å; D1031-R1034 VanDerWaalsContact OD2-CD 3.29Å; D1031-R1034 WeakPolarHBondContact OD2-CD 3.38Å; D1031-R1034 WeakPolarHBondContact OD2-CG 3.27Å; D1031-K1035 WeakPolarHBondContact O-CA 3.41Å; D1031-K1035 PolarHBondContact O-N 3.41Å; D1031-N1036 WeakPolarHBondContact CA-O 3.23Å; D1031-N1036 HydrophobicContact CB-CB 4.47Å; D1031-N1036 WeakPolarHBondContact CB-O 3.28Å; D1031-N1036 PolarHBondContact N-O 3.38Å; D1031-N1036 PolarHBondContact O-N 3.38Å |
| 1032 | S | 71.3 | Confident | 82.7 | Confident | 87 Ų | 87 | 55.3 Ų | 55.3 | 61% | 0.608 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -31.2 | -178 | 51.5 | 0 | 0 | 0 | 0 | 112.4 | K1035 | S1032-K1035 PolarHBondContact O-N 2.93Š|
| 1033 | V | 71.6 | Confident | 82 | Confident | 134 Ų | 134 | 56.6 Ų | 56.6 | 81% | 0.812 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -46.6 | -179.8 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | D1031 K1035 | D1031-V1033 VanDerWaalsContact C-N 3.26Å; D1031-V1033 PolarHBondContact O-N 2.84Å; D1031-V1033 PolarHBondContact OD1-N 3.1Å; V1033-K1035 VanDerWaalsContact C-N 3.28Å; V1033-K1035 PolarHBondContact O-N 3.14Å |
| 1034 | R | 74.7 | Confident | 81 | Confident | 185 Ų | 185 | 59.9 Ų | 59.9 | 70% | 0.698 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -3.7 | 178.3 | -64.5 | -172.2 | 170.1 | 179.5 | -4.5 | 113.7 | D1031 N1036 | D1031-R1034 HydrophobicContact CB-CB 4.4Å; D1031-R1034 PolarHBondContact O-N 3.38Å; D1031-R1034 PolarHBondContact OD1-N 3.29Å; D1031-R1034 VanDerWaalsContact OD2-CD 3.29Å; D1031-R1034 WeakPolarHBondContact OD2-CD 3.38Å; D1031-R1034 WeakPolarHBondContact OD2-CG 3.27Å; R1034-N1036 HydrophobicContact CB-CB 4.24Å; R1034-N1036 PolarHBondContact O-N 3.09Å; R1034-N1036 PolarHBondContact O-OD1 3.27Å |
| 1035 | K | 71.8 | Confident | 80.1 | Confident | 150 Ų | 150 | 62.5 Ų | 62.5 | 65% | 0.652 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 38.7 | -170.9 | -60.5 | -176.5 | 177.5 | -178.3 | 0 | 112.2 | F970 D1031 S1032 V1033 | F970-K1035 HydrophobicContact CE2-CB 3.89Å; F970-K1035 HydrophobicContact CE2-CG 4.3Å; F970-K1035 HydrophobicContact CZ-CB 3.92Å; F970-K1035 WeakPolarHBondContact CZ-O 3.39Å; D1031-K1035 WeakPolarHBondContact O-CA 3.41Å; D1031-K1035 PolarHBondContact O-N 3.41Å; S1032-K1035 PolarHBondContact O-N 2.93Å; V1033-K1035 VanDerWaalsContact C-N 3.28Å; V1033-K1035 PolarHBondContact O-N 3.14Å |
| 1036 | N | 78.4 | Confident | 79.5 | Confident | 86 Ų | 86 | 62.5 Ų | 62.5 | 46% | 0.46 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 139.5 | -177.8 | -74.9 | -15.9 | 0 | 0 | 0 | 109.8 | D1031 R1034 | D1031-N1036 WeakPolarHBondContact CA-O 3.23Å; D1031-N1036 HydrophobicContact CB-CB 4.47Å; D1031-N1036 WeakPolarHBondContact CB-O 3.28Å; D1031-N1036 PolarHBondContact N-O 3.38Å; D1031-N1036 PolarHBondContact O-N 3.38Å; R1034-N1036 HydrophobicContact CB-CB 4.24Å; R1034-N1036 PolarHBondContact O-N 3.09Å; R1034-N1036 PolarHBondContact O-OD1 3.27Å |
| 1037 | M | 85.4 | Confident | 78.7 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 5% | 0.049 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 151.8 | 174.2 | 56 | 173.4 | 171 | 0 | 0 | 110.9 | F970 F996 M1000 S1001 A1002 I1003 I1027 K1029 | F970-M1037 HydrophobicContact CE1-CG 4.2Å; F970-M1037 HydrophobicContact CE1-SD 4.4Å; F996-M1037 HydrophobicContact CD2-CE 3.29Å; F996-M1037 HydrophobicContact CE2-CE 3.27Å; F996-M1037 HydrophobicContact CE2-SD 4.34Å; F996-M1037 HydrophobicContact CG-CE 4.4Å; F996-M1037 HydrophobicContact CZ-CE 4.35Å; M1000-M1037 HydrophobicContact CB-CE 3.84Å; M1000-M1037 HydrophobicContact CE-CE 3.92Å; M1000-M1037 HydrophobicContact CE-SD 4.15Å; S1001-M1037 VanDerWaalsContact O-CE 3.3Å; S1001-M1037 WeakPolarHBondContact O-CE 3.45Å; S1001-M1037 VanDerWaalsContact O-CG 3.31Å; S1001-M1037 WeakPolarHBondContact O-CG 3.47Å; A1002-M1037 CarbonylContact C-O 3.27Å; A1002-M1037 VanDerWaalsContact CA-O 3.31Å; A1002-M1037 WeakPolarHBondContact CA-O 3.44Å; A1002-M1037 HydrophobicContact CB-CE 3.85Å; A1002-M1037 HydrophobicContact CB-CG 3.58Å; A1002-M1037 HydrophobicContact CB-SD 3.97Å; I1003-M1037 PolarHBondContact N-O 3.35Å; I1027-M1037 HydrophobicContact CD1-SD 4.06Å; K1029-M1037 CarbonylContact O-C 3.44Å; K1029-M1037 WeakPolarHBondContact O-CA 3.48Å |
| 1038 | S | 87 | Confident | 77.7 | Confident | 34 Ų | 34 | 61.9 Ų | 61.9 | 24% | 0.238 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 142.1 | 176.4 | 63.1 | 0 | 0 | 0 | 0 | 110.7 | I1003 Q1028 K1029 | I1003-S1038 VanDerWaalsContact O-CA 3.26Å; I1003-S1038 WeakPolarHBondContact O-CA 3.4Å; Q1028-S1038 PolarHBondContact N-O 3.35Å; K1029-S1038 WeakPolarHBondContact CB-OG 3.45Å; K1029-S1038 PolarHBondContact N-O 2.81Å; K1029-S1038 PolarHBondContact N-OG 3.1Å; K1029-S1038 PolarHBondContact O-N 3.12Å; K1029-S1038 PolarHBondContact O-OG 3.21Å |
| 1039 | I | 89.4 | Confident | 76.9 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 138.3 | -172.1 | -165.8 | 168.9 | 0 | 0 | 0 | 111 | A979 V994 F996 A1002 I1003 C1004 G1025 I1027 | A979-I1039 HydrophobicContact CB-CD1 4.34Å; V994-I1039 HydrophobicContact CG2-CG2 4.14Å; F996-I1039 HydrophobicContact CZ-CD1 3.87Å; A1002-I1039 HydrophobicContact CB-CB 3.91Å; A1002-I1039 HydrophobicContact CB-CG2 3.73Å; I1003-I1039 PolarHBondContact O-N 2.88Å; C1004-I1039 HydrophobicContact CB-CG2 3.87Å; C1004-I1039 PolarHBondContact SG-O 3.14Å; G1025-I1039 VanDerWaalsContact CA-CD1 3.48Å; I1027-I1039 HydrophobicContact CD1-CB 4.24Å; I1027-I1039 HydrophobicContact CD1-CD1 3.97Å; I1027-I1039 HydrophobicContact CD1-CG1 4.07Å |
| 1040 | N | 84.8 | Confident | 76.5 | Confident | 20 Ų | 20 | 54.3 Ų | 54.3 | 11% | 0.107 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.1 | 171.4 | -166.3 | -20.8 | 0 | 0 | 0 | 109.7 | G1025 R1026 Q1028 D1042 N1045 S1046 | G1025-N1040 CarbonylContact C-O 3.48Å; G1025-N1040 WeakPolarHBondContact CA-O 3.16Å; R1026-N1040 PolarHBondContact N-O 3.49Å; R1026-N1040 PolarHBondContact O-N 3.34Å; Q1028-N1040 HydrophobicContact CG-CB 3.77Å; Q1028-N1040 PolarHBondContact NE2-ND2 3.33Å; N1040-D1042 VanDerWaalsContact OD1-CB 3.28Å; N1040-D1042 WeakPolarHBondContact OD1-CB 3.28Å; N1040-D1042 PolarHBondContact OD1-N 2.92Å; N1040-N1045 PolarHBondContact ND2-ND2 3.43Å; N1040-N1045 VanDerWaalsContact ND2-ND2 3.12Å; N1040-S1046 PolarHBondContact O-OG 2.84Å |
| 1041 | M | 85.5 | Confident | 76.5 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | trans | -106.3 | 7.3 | 179.5 | -69.1 | 172.4 | 50.5 | 0 | 0 | 113.2 | I983 V994 C1004 L1009 V1023 I1043 N1207 F1209 | I983-M1041 HydrophobicContact CD1-CE 4.08Å; I983-M1041 HydrophobicContact CG1-CE 4.36Å; V994-M1041 HydrophobicContact CG2-SD 3.72Å; C1004-M1041 HydrophobicContact CB-CG 4.31Å; C1004-M1041 HydrophobicContact CB-SD 3.74Å; L1009-M1041 HydrophobicContact CD2-CB 3.7Å; L1009-M1041 HydrophobicContact CD2-CE 4.49Å; V1023-M1041 HydrophobicContact CB-CE 3.8Å; V1023-M1041 HydrophobicContact CG1-CE 3.52Å; V1023-M1041 HydrophobicContact CG2-CE 4.13Å; V1023-M1041 HydrophobicContact CG2-SD 4.36Å; M1041-I1043 PolarHBondContact O-N 2.79Å; M1041-N1207 WeakPolarHBondContact O-CB 3.41Å; M1041-N1207 PolarHBondContact O-ND2 2.77Å; M1041-F1209 HydrophobicContact CE-CZ 4.17Å | ||
| 1042 | D | 80.7 | Confident | 76.7 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 11% | 0.112 | 28% | 0.28 | C | S | . | . | trans | -61 | 123.1 | 172.7 | -175.1 | -4.5 | 0 | 0 | 0 | 110.1 | R1010 N1040 V1044 N1045 S1046 | R1010-D1042 IonicContact CZ-OD2 2.89Å; R1010-D1042 IonicContact NE-OD1 3.85Å; R1010-D1042 PolarHBondContact NE-OD1 2.81Å; R1010-D1042 IonicContact NE-OD2 2.66Å; R1010-D1042 PolarHBondContact NE-OD2 2.92Å; R1010-D1042 IonicContact NH2-OD2 2.75Å; R1010-D1042 PolarHBondContact NH2-OD2 3.39Å; N1040-D1042 VanDerWaalsContact OD1-CB 3.28Å; N1040-D1042 WeakPolarHBondContact OD1-CB 3.28Å; N1040-D1042 PolarHBondContact OD1-N 2.92Å; D1042-V1044 PolarHBondContact O-N 2.93Å; D1042-V1044 VanDerWaalsContact O-N 3.1Å; D1042-V1044 PolarHBondContact OD1-N 3Å; D1042-N1045 PolarHBondContact O-N 3.25Å; D1042-S1046 PolarHBondContact O-N 2.88Å; D1042-S1046 VanDerWaalsContact O-N 3.09Å; D1042-S1046 PolarHBondContact O-OG 3.19Å | ||
| 1043 | I | 75.2 | Confident | 77.4 | Confident | 27 Ų | 27 | 49.7 Ų | 49.7 | 14% | 0.138 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -50.1 | -39.6 | -179.1 | -62.8 | 170.6 | 0 | 0 | 0 | 110.8 | M1041 N1045 S1046 L1047 H1205 N1207 D1208 | M1041-I1043 PolarHBondContact O-N 2.79Å; I1043-N1045 PolarHBondContact O-N 2.87Å; I1043-S1046 PolarHBondContact O-N 3.47Å; I1043-S1046 VanDerWaalsContact O-N 3.15Å; I1043-L1047 HydrophobicContact CG2-CB 4.19Å; I1043-L1047 HydrophobicContact CG2-CD2 4.47Å; I1043-L1047 WeakPolarHBondContact O-CB 3.42Å; I1043-L1047 PolarHBondContact O-N 2.92Å; I1043-H1205 HydrophobicContact CG1-CB 4.42Å; I1043-H1205 HydrophobicContact CG2-CB 4.08Å; I1043-N1207 HydrophobicContact CG1-CB 4.05Å; I1043-D1208 HydrophobicContact CD1-CB 3.92Å |
| 1044 | V | 70.2 | Confident | 78.1 | Confident | 70 Ų | 70 | 43.3 Ų | 43.3 | 42% | 0.424 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.6 | -29.9 | -179 | -178.9 | 0 | 0 | 0 | 0 | 112.4 | D1042 | D1042-V1044 PolarHBondContact O-N 2.93Å; D1042-V1044 VanDerWaalsContact O-N 3.1Å; D1042-V1044 PolarHBondContact OD1-N 3Å |
| 1045 | N | 70 | Confident | 78.8 | Confident | 59 Ų | 59 | 34.5 Ų | 34.5 | 32% | 0.316 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -93.1 | -17.4 | 179 | -63.9 | -51.1 | 0 | 0 | 0 | 113.2 | R1026 N1040 D1042 I1043 | R1026-N1045 PolarHBondContact NE-O 3.43Å; R1026-N1045 PolarHBondContact NH1-O 2.75Å; R1026-N1045 PolarHBondContact NH2-O 2.89Å; N1040-N1045 PolarHBondContact ND2-ND2 3.43Å; N1040-N1045 VanDerWaalsContact ND2-ND2 3.12Å; D1042-N1045 PolarHBondContact O-N 3.25Å; I1043-N1045 PolarHBondContact O-N 2.87Å |
| 1046 | S | 74 | Confident | 79.5 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -104.7 | -21.8 | -175 | -61.4 | 0 | 0 | 0 | 0 | 114.1 | V1024 N1040 D1042 I1043 T1048 | V1024-S1046 VanDerWaalsContact O-CB 3.27Å; V1024-S1046 WeakPolarHBondContact O-CB 3.39Å; V1024-S1046 PolarHBondContact O-OG 3.49Å; N1040-S1046 PolarHBondContact O-OG 2.84Å; D1042-S1046 PolarHBondContact O-N 2.88Å; D1042-S1046 VanDerWaalsContact O-N 3.09Å; D1042-S1046 PolarHBondContact O-OG 3.19Å; I1043-S1046 PolarHBondContact O-N 3.47Å; I1043-S1046 VanDerWaalsContact O-N 3.15Å; S1046-T1048 PolarHBondContact O-N 3.25Å |
| 1047 | L | 69.5 | Low | 80 | Confident | 16 Ų | 16 | 26.8 Ų | 26.8 | 8% | 0.084 | 14% | 0.144 | C | C | . | . | trans | -77.2 | 103.3 | -176.9 | -169.7 | 74.5 | 0 | 0 | 0 | 111.3 | I1043 H1205 Y1245 M1248 | I1043-L1047 HydrophobicContact CG2-CB 4.19Å; I1043-L1047 HydrophobicContact CG2-CD2 4.47Å; I1043-L1047 WeakPolarHBondContact O-CB 3.42Å; I1043-L1047 PolarHBondContact O-N 2.92Å; L1047-H1205 HydrophobicContact CD1-CB 4.09Å; L1047-Y1245 HydrophobicContact CD2-CD1 3.82Å; L1047-Y1245 HydrophobicContact CD2-CE1 4.41Å; L1047-M1248 HydrophobicContact CD2-SD 3.93Å | ||
| 1048 | T | 65.1 | Low | 80.3 | Confident | 67 Ų | 67 | 26.4 Ų | 26.4 | 41% | 0.411 | 14% | 0.142 | S | C | . | . | trans | -105 | -32.1 | 176.9 | 46.8 | 0 | 0 | 0 | 0 | 113.8 | L978 S1046 | L978-T1048 HydrophobicContact CD1-CG2 3.52Å; L978-T1048 WeakPolarHBondContact CD1-OG1 3.38Å; L978-T1048 HydrophobicContact CG-CG2 4.44Å; S1046-T1048 PolarHBondContact O-N 3.25Å | ||
| 1049 | E | 68.9 | Low | 80.5 | Confident | 71 Ų | 71 | 28.7 Ų | 28.7 | 33% | 0.332 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -92.2 | 3.9 | -176.5 | -52.3 | -173.9 | 153.2 | 0 | 0 | 113.8 | L1051 E1052 K1056 | E1049-L1051 PolarHBondContact O-N 3.29Å; E1049-E1052 HydrophobicContact CB-CB 4.27Å; E1049-E1052 PolarHBondContact O-N 2.88Å; E1049-K1056 IonicContact OE1-NZ 2.9Å; E1049-K1056 PolarHBondContact OE1-NZ 3.5Å; E1049-K1056 IonicContact OE2-NZ 3.24Å; E1049-K1056 PolarHBondContact OE2-NZ 3.46Å |
| 1050 | G | 73.6 | Confident | 80.4 | Confident | 5 Ų | 5 | 30.3 Ų | 30.3 | 5% | 0.052 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | -131.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1052 | G1050-E1052 VanDerWaalsContact C-N 3.28Å; G1050-E1052 PolarHBondContact O-N 3.12Å |
| 1051 | L | 79.8 | Confident | 80.7 | Confident | 14 Ų | 14 | 30 Ų | 30 | 7% | 0.073 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -15.2 | -178.7 | -81.7 | 163.3 | 0 | 0 | 0 | 114.6 | E1049 T1053 S1054 F1055 L1204 N1241 R1242 | E1049-L1051 PolarHBondContact O-N 3.29Å; L1051-T1053 PolarHBondContact O-N 3.5Å; L1051-S1054 WeakPolarHBondContact CD2-OG 3.25Å; L1051-S1054 WeakPolarHBondContact O-CB 3.37Å; L1051-S1054 PolarHBondContact O-N 2.68Å; L1051-S1054 PolarHBondContact O-OG 2.77Å; L1051-F1055 HydrophobicContact CB-CD2 4.4Å; L1051-F1055 HydrophobicContact CB-CE2 4.22Å; L1051-F1055 VanDerWaalsContact O-CD2 3.29Å; L1051-F1055 WeakPolarHBondContact O-CD2 3.35Å; L1051-F1055 PolarHBondContact O-N 3.06Å; L1051-L1204 HydrophobicContact CD2-CD2 3.99Å; L1051-N1241 HydrophobicContact CD1-CB 4.27Å; L1051-N1241 WeakPolarHBondContact CD1-O 3.47Å; L1051-N1241 HydrophobicContact CD2-CB 4.09Å; L1051-R1242 HydrophobicContact CD1-CB 4.29Å |
| 1052 | E | 83.2 | Confident | 80.9 | Confident | 63 Ų | 63 | 30.1 Ų | 30.1 | 29% | 0.294 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.8 | -36.3 | -177.5 | -171.7 | 57.4 | -143.1 | 0 | 0 | 111.6 | E1049 G1050 S1054 F1055 K1056 R1059 | E1049-E1052 HydrophobicContact CB-CB 4.27Å; E1049-E1052 PolarHBondContact O-N 2.88Å; G1050-E1052 VanDerWaalsContact C-N 3.28Å; G1050-E1052 PolarHBondContact O-N 3.12Å; E1052-S1054 VanDerWaalsContact C-N 3.29Å; E1052-S1054 PolarHBondContact O-N 3.34Å; E1052-F1055 PolarHBondContact O-N 2.02Å; E1052-K1056 HydrophobicContact CG-CD 4.48Å; E1052-K1056 WeakPolarHBondContact O-CG 3.5Å; E1052-K1056 PolarHBondContact O-N 2.75Å; E1052-R1059 IonicContact OE1-NH1 2.69Å; E1052-R1059 PolarHBondContact OE1-NH1 2.9Å |
| 1053 | T | 85.8 | Confident | 81.2 | Confident | 8 Ų | 8 | 31.6 Ų | 31.6 | 5% | 0.049 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.3 | -40 | 175.4 | -49.4 | 0 | 0 | 0 | 0 | 112 | L1051 K1056 L1057 Y1206 | L1051-T1053 PolarHBondContact O-N 3.5Å; T1053-K1056 PolarHBondContact O-N 2.86Å; T1053-L1057 PolarHBondContact O-N 2.92Å; T1053-L1057 VanDerWaalsContact O-N 3.09Å; T1053-Y1206 HydrophobicContact CG2-CD2 3.7Å; T1053-Y1206 HydrophobicContact CG2-CE2 3.4Å; T1053-Y1206 VanDerWaalsContact CG2-CE2 3.4Å |
| 1054 | S | 87.7 | Confident | 81.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.9 | -40 | 178.3 | 73 | 0 | 0 | 0 | 0 | 112.2 | L1051 E1052 L1058 R1203 | L1051-S1054 WeakPolarHBondContact CD2-OG 3.25Å; L1051-S1054 WeakPolarHBondContact O-CB 3.37Å; L1051-S1054 PolarHBondContact O-N 2.68Å; L1051-S1054 PolarHBondContact O-OG 2.77Å; E1052-S1054 VanDerWaalsContact C-N 3.29Å; E1052-S1054 PolarHBondContact O-N 3.34Å; S1054-L1058 PolarHBondContact O-N 2.99Å; S1054-L1058 VanDerWaalsContact O-N 3.14Å; S1054-R1203 VanDerWaalsContact CB-O 3.23Å; S1054-R1203 WeakPolarHBondContact CB-O 3.47Å |
| 1055 | F | 89.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -72.4 | -36.8 | 176.9 | -73 | -69.7 | 0 | 0 | 0 | 112.4 | L1051 E1052 L1058 R1059 P1201 E1227 L1235 A1237 | L1051-F1055 HydrophobicContact CB-CD2 4.4Å; L1051-F1055 HydrophobicContact CB-CE2 4.22Å; L1051-F1055 VanDerWaalsContact O-CD2 3.29Å; L1051-F1055 WeakPolarHBondContact O-CD2 3.35Å; L1051-F1055 PolarHBondContact O-N 3.06Å; E1052-F1055 PolarHBondContact O-N 2.02Å; F1055-L1058 PolarHBondContact O-N 3.39Å; F1055-R1059 WeakPolarHBondContact O-CB 3.15Å; F1055-R1059 VanDerWaalsContact O-CG 3.31Å; F1055-R1059 WeakPolarHBondContact O-CG 3.29Å; F1055-R1059 PolarHBondContact O-N 3.24Å; F1055-P1201 HydrophobicContact CE1-CG 4.44Å; F1055-E1227 HydrophobicContact CD1-CB 4.34Å; F1055-E1227 HydrophobicContact CD1-CG 4.21Å; F1055-E1227 HydrophobicContact CD2-CB 4.49Å; F1055-E1227 HydrophobicContact CD2-CG 3.81Å; F1055-E1227 HydrophobicContact CE1-CB 3.63Å; F1055-E1227 HydrophobicContact CE1-CG 3.94Å; F1055-E1227 HydrophobicContact CE2-CB 3.81Å; F1055-E1227 HydrophobicContact CE2-CG 3.51Å; F1055-E1227 HydrophobicContact CG-CG 4.15Å; F1055-E1227 HydrophobicContact CZ-CB 3.31Å; F1055-E1227 HydrophobicContact CZ-CG 3.57Å; F1055-L1235 HydrophobicContact CD1-CB 4.17Å; F1055-L1235 HydrophobicContact CD1-CD1 4.4Å; F1055-L1235 HydrophobicContact CE1-CB 4.07Å; F1055-A1237 HydrophobicContact CE1-CB 4.36Å; F1055-A1237 HydrophobicContact CE2-CB 4.11Å; F1055-A1237 HydrophobicContact CZ-CB 3.48Å; F1055-A1237 VanDerWaalsContact CZ-CB 3.48Å |
| 1056 | K | 86.9 | Confident | 83.4 | Confident | 64 Ų | 64 | 28.3 Ų | 28.3 | 28% | 0.278 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -58 | -48 | 172.4 | -75.7 | 175.1 | -179.9 | 170.5 | 0 | 111.7 | E1049 E1052 T1053 L1058 R1059 Q1060 | E1049-K1056 IonicContact OE1-NZ 2.9Å; E1049-K1056 PolarHBondContact OE1-NZ 3.5Å; E1049-K1056 IonicContact OE2-NZ 3.24Å; E1049-K1056 PolarHBondContact OE2-NZ 3.46Å; E1052-K1056 HydrophobicContact CG-CD 4.48Å; E1052-K1056 WeakPolarHBondContact O-CG 3.5Å; E1052-K1056 PolarHBondContact O-N 2.75Å; T1053-K1056 PolarHBondContact O-N 2.86Å; K1056-L1058 PolarHBondContact O-N 2.82Å; K1056-R1059 PolarHBondContact O-N 2.94Å; K1056-Q1060 WeakPolarHBondContact O-CB 3.45Å; K1056-Q1060 PolarHBondContact O-N 2.78Å |
| 1057 | L | 89 | Confident | 83.8 | Confident | 11 Ų | 11 | 31 Ų | 31 | 6% | 0.058 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.6 | -45.4 | 176.6 | -81.9 | 169.3 | 0 | 0 | 0 | 112.1 | T1053 Q1060 Y1061 R1203 Y1206 | T1053-L1057 PolarHBondContact O-N 2.92Å; T1053-L1057 VanDerWaalsContact O-N 3.09Å; L1057-Q1060 PolarHBondContact O-N 2.87Å; L1057-Y1061 WeakPolarHBondContact O-CB 3.36Å; L1057-Y1061 PolarHBondContact O-N 3.31Å; L1057-R1203 HydrophobicContact CD1-CB 4.48Å; L1057-Y1206 HydrophobicContact CD1-CD1 4.31Å; L1057-Y1206 HydrophobicContact CD1-CE1 4.43Å; L1057-Y1206 HydrophobicContact CD2-CD1 3.77Å; L1057-Y1206 HydrophobicContact CD2-CE1 3.45Å; L1057-Y1206 VanDerWaalsContact CD2-CE1 3.45Å; L1057-Y1206 HydrophobicContact CG-CD1 4.36Å; L1057-Y1206 HydrophobicContact CG-CE1 4.01Å |
| 1058 | L | 90.7 | Very high | 84.6 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.4 | -45.1 | 178.7 | 179.9 | 62.7 | 0 | 0 | 0 | 112.1 | S1054 F1055 K1056 Q1060 Y1061 L1062 L1184 P1201 L1235 | S1054-L1058 PolarHBondContact O-N 2.99Å; S1054-L1058 VanDerWaalsContact O-N 3.14Å; F1055-L1058 PolarHBondContact O-N 3.39Å; K1056-L1058 PolarHBondContact O-N 2.82Å; L1058-Q1060 VanDerWaalsContact C-N 3.33Å; L1058-Q1060 PolarHBondContact O-N 2.91Å; L1058-Y1061 PolarHBondContact O-N 2.79Å; L1058-L1062 HydrophobicContact CD1-CD1 4.08Å; L1058-L1062 HydrophobicContact CD1-CG 4.15Å; L1058-L1062 HydrophobicContact CG-CD1 3.93Å; L1058-L1062 HydrophobicContact CG-CG 4.42Å; L1058-L1062 WeakPolarHBondContact O-CB 3.36Å; L1058-L1062 VanDerWaalsContact O-CG 3.24Å; L1058-L1062 WeakPolarHBondContact O-CG 3.42Å; L1058-L1062 PolarHBondContact O-N 2.63Å; L1058-L1184 HydrophobicContact CD1-CB 4.33Å; L1058-L1184 HydrophobicContact CD1-CD1 4.11Å; L1058-P1201 HydrophobicContact CB-CB 4.26Å; L1058-P1201 HydrophobicContact CD2-CB 4.3Å; L1058-L1235 HydrophobicContact CD2-CD2 3.95Å |
| 1059 | R | 90.4 | Very high | 85.4 | Confident | 81 Ų | 81 | 30.9 Ų | 30.9 | 31% | 0.306 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -59.9 | -44.6 | 177.8 | -73.4 | 178.9 | -167.9 | 119.5 | -4.3 | 111.4 | E1052 F1055 K1056 L1062 A1063 D1228 L1235 | E1052-R1059 IonicContact OE1-NH1 2.69Å; E1052-R1059 PolarHBondContact OE1-NH1 2.9Å; F1055-R1059 WeakPolarHBondContact O-CB 3.15Å; F1055-R1059 VanDerWaalsContact O-CG 3.31Å; F1055-R1059 WeakPolarHBondContact O-CG 3.29Å; F1055-R1059 PolarHBondContact O-N 3.24Å; K1056-R1059 PolarHBondContact O-N 2.94Å; R1059-L1062 PolarHBondContact O-N 3.5Å; R1059-A1063 WeakPolarHBondContact O-CB 3.24Å; R1059-A1063 PolarHBondContact O-N 2.83Å; R1059-D1228 IonicContact CZ-OD2 3.56Å; R1059-D1228 IonicContact NE-OD2 2.96Å; R1059-D1228 PolarHBondContact NE-OD2 3.18Å; R1059-D1228 IonicContact NH2-OD2 2.66Å; R1059-D1228 PolarHBondContact NH2-OD2 2.83Å; R1059-L1235 HydrophobicContact CG-CD1 3.79Å |
| 1060 | Q | 88.9 | Confident | 85.9 | Confident | 36 Ų | 36 | 35.4 Ų | 35.4 | 17% | 0.168 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.8 | -48.3 | 177.8 | -178.2 | -177 | -25.8 | 0 | 0 | 111.6 | D919 P955 K1056 L1057 L1058 L1062 A1063 E1064 | D919-Q1060 PolarHBondContact OD2-NE2 3.14Å; D919-Q1060 PolarHBondContact OD2-OE1 3.26Å; P955-Q1060 VanDerWaalsContact CD-NE2 3.27Å; P955-Q1060 HydrophobicContact CG-CG 4.4Å; K1056-Q1060 WeakPolarHBondContact O-CB 3.45Å; K1056-Q1060 PolarHBondContact O-N 2.78Å; L1057-Q1060 PolarHBondContact O-N 2.87Å; L1058-Q1060 VanDerWaalsContact C-N 3.33Å; L1058-Q1060 PolarHBondContact O-N 2.91Å; Q1060-L1062 VanDerWaalsContact C-N 3.31Å; Q1060-L1062 PolarHBondContact O-N 3.01Å; Q1060-A1063 PolarHBondContact O-N 3.46Å; Q1060-E1064 PolarHBondContact NE2-OE1 2.99Å; Q1060-E1064 WeakPolarHBondContact O-CG 2.93Å; Q1060-E1064 PolarHBondContact O-N 3Å |
| 1061 | Y | 90.6 | Very high | 86.2 | Confident | 12 Ų | 12 | 39.6 Ų | 39.6 | 5% | 0.047 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59 | -42.5 | 177.6 | 174.2 | -112.7 | 0 | 0 | 0 | 112.4 | I923 L1057 L1058 E1064 L1065 N1183 L1184 | I923-Y1061 HydrophobicContact CD1-CD2 4.06Å; I923-Y1061 HydrophobicContact CD1-CE2 4.15Å; I923-Y1061 HydrophobicContact CG1-CE2 4.48Å; I923-Y1061 HydrophobicContact CG2-CE2 3.78Å; L1057-Y1061 WeakPolarHBondContact O-CB 3.36Å; L1057-Y1061 PolarHBondContact O-N 3.31Å; L1058-Y1061 PolarHBondContact O-N 2.79Å; Y1061-E1064 PolarHBondContact O-N 3.49Å; Y1061-L1065 HydrophobicContact CD1-CD1 4.2Å; Y1061-L1065 HydrophobicContact CE1-CD1 3.57Å; Y1061-L1065 HydrophobicContact CE1-CG 4.32Å; Y1061-L1065 HydrophobicContact CE2-CD1 4.31Å; Y1061-L1065 HydrophobicContact CE2-CD2 4.49Å; Y1061-L1065 HydrophobicContact CE2-CG 4.22Å; Y1061-L1065 PolarHBondContact O-N 2.91Å; Y1061-N1183 HydrophobicContact CD1-CB 3.76Å; Y1061-N1183 HydrophobicContact CD2-CB 3.87Å; Y1061-N1183 HydrophobicContact CE1-CB 3.96Å; Y1061-N1183 HydrophobicContact CE2-CB 4.08Å; Y1061-N1183 HydrophobicContact CG-CB 3.71Å; Y1061-L1184 HydrophobicContact CD1-CB 4.24Å; Y1061-L1184 HydrophobicContact CE1-CB 3.81Å; Y1061-L1184 HydrophobicContact CE1-CD2 4.38Å |
| 1062 | L | 89.6 | Confident | 85.8 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.1 | -39.3 | 178.1 | -71.1 | 172.6 | 0 | 0 | 0 | 112.3 | L1058 R1059 Q1060 L1065 D1066 Y1199 L1235 | L1058-L1062 HydrophobicContact CD1-CD1 4.08Å; L1058-L1062 HydrophobicContact CD1-CG 4.15Å; L1058-L1062 HydrophobicContact CG-CD1 3.93Å; L1058-L1062 HydrophobicContact CG-CG 4.42Å; L1058-L1062 WeakPolarHBondContact O-CB 3.36Å; L1058-L1062 VanDerWaalsContact O-CG 3.24Å; L1058-L1062 WeakPolarHBondContact O-CG 3.42Å; L1058-L1062 PolarHBondContact O-N 2.63Å; R1059-L1062 PolarHBondContact O-N 3.5Å; Q1060-L1062 VanDerWaalsContact C-N 3.31Å; Q1060-L1062 PolarHBondContact O-N 3.01Å; L1062-L1065 PolarHBondContact O-N 3.04Å; L1062-D1066 PolarHBondContact O-N 3.03Å; L1062-D1066 VanDerWaalsContact O-N 3.07Å; L1062-Y1199 HydrophobicContact CD1-CD1 4.37Å; L1062-Y1199 HydrophobicContact CD1-CG 4.4Å; L1062-Y1199 HydrophobicContact CD2-CD1 3.85Å; L1062-Y1199 HydrophobicContact CD2-CE1 4.05Å; L1062-L1235 HydrophobicContact CD1-CD2 3.97Å |
| 1063 | A | 87.2 | Confident | 84.9 | Confident | 52 Ų | 52 | 42.6 Ų | 42.6 | 43% | 0.43 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.5 | -38.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1059 Q1060 D1066 V1067 | R1059-A1063 WeakPolarHBondContact O-CB 3.24Å; R1059-A1063 PolarHBondContact O-N 2.83Å; Q1060-A1063 PolarHBondContact O-N 3.46Å; A1063-D1066 WeakPolarHBondContact O-CB 3.08Å; A1063-D1066 PolarHBondContact O-N 2.8Å; A1063-V1067 WeakPolarHBondContact O-CG2 3.46Å; A1063-V1067 PolarHBondContact O-N 3.41Å |
| 1064 | E | 89.6 | Confident | 83.9 | Confident | 22 Ų | 22 | 44.6 Ų | 44.6 | 10% | 0.103 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.2 | -38.1 | 175.3 | -69.8 | 166.9 | 161.3 | 0 | 0 | 111.7 | T918 I923 Q1060 Y1061 D1066 V1067 I1068 | T918-E1064 VanDerWaalsContact CB-OE1 3.29Å; T918-E1064 WeakPolarHBondContact CB-OE1 3.47Å; T918-E1064 PolarHBondContact OG1-OE1 3.47Å; T918-E1064 PolarHBondContact OG1-OE2 3.4Å; I923-E1064 HydrophobicContact CD1-CB 3.57Å; I923-E1064 HydrophobicContact CD1-CG 4.41Å; I923-E1064 WeakPolarHBondContact CD1-OE2 3.43Å; Q1060-E1064 PolarHBondContact NE2-OE1 2.99Å; Q1060-E1064 WeakPolarHBondContact O-CG 2.93Å; Q1060-E1064 PolarHBondContact O-N 3Å; Y1061-E1064 PolarHBondContact O-N 3.49Å; E1064-D1066 VanDerWaalsContact C-N 3.32Å; E1064-D1066 PolarHBondContact O-N 2.86Å; E1064-V1067 PolarHBondContact O-N 3.18Å; E1064-I1068 WeakPolarHBondContact O-CG1 3.4Å; E1064-I1068 PolarHBondContact O-N 3.32Å |
| 1065 | L | 86.6 | Confident | 82.6 | Confident | 19 Ų | 19 | 50 Ų | 50 | 10% | 0.099 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 171.6 | -76.1 | 177.6 | 0 | 0 | 0 | 112.6 | Y1061 L1062 V1067 I1068 R1069 | Y1061-L1065 HydrophobicContact CD1-CD1 4.2Å; Y1061-L1065 HydrophobicContact CE1-CD1 3.57Å; Y1061-L1065 HydrophobicContact CE1-CG 4.32Å; Y1061-L1065 HydrophobicContact CE2-CD1 4.31Å; Y1061-L1065 HydrophobicContact CE2-CD2 4.49Å; Y1061-L1065 HydrophobicContact CE2-CG 4.22Å; Y1061-L1065 PolarHBondContact O-N 2.91Å; L1062-L1065 PolarHBondContact O-N 3.04Å; L1065-V1067 VanDerWaalsContact C-N 3.34Å; L1065-I1068 HydrophobicContact CD2-CD1 4.49Å; L1065-I1068 PolarHBondContact O-N 3.38Å; L1065-R1069 WeakPolarHBondContact O-CB 3.42Å; L1065-R1069 PolarHBondContact O-N 2.77Å |
| 1066 | D | 84.5 | Confident | 81.6 | Confident | 45 Ų | 45 | 51.2 Ų | 51.2 | 24% | 0.241 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.1 | -37.4 | 175.3 | -69.3 | -37.4 | 0 | 0 | 0 | 111.8 | L1062 A1063 E1064 R1069 Q1070 R1233 | L1062-D1066 PolarHBondContact O-N 3.03Å; L1062-D1066 VanDerWaalsContact O-N 3.07Å; A1063-D1066 WeakPolarHBondContact O-CB 3.08Å; A1063-D1066 PolarHBondContact O-N 2.8Å; E1064-D1066 VanDerWaalsContact C-N 3.32Å; E1064-D1066 PolarHBondContact O-N 2.86Å; D1066-R1069 PolarHBondContact O-N 2.84Å; D1066-Q1070 WeakPolarHBondContact O-CB 3.43Å; D1066-Q1070 VanDerWaalsContact O-CG 3.27Å; D1066-Q1070 WeakPolarHBondContact O-CG 3.4Å; D1066-Q1070 PolarHBondContact O-N 2.87Å; D1066-R1233 IonicContact OD1-CZ 2.93Å; D1066-R1233 IonicContact OD1-NH1 3.28Å; D1066-R1233 IonicContact OD1-NH2 3.79Å; D1066-R1233 PolarHBondContact OD1-NH2 2.82Å; D1066-R1233 IonicContact OD2-CZ 3.45Å; D1066-R1233 VanDerWaalsContact OD2-CZ 3.28Å; D1066-R1233 IonicContact OD2-NH1 2.79Å; D1066-R1233 PolarHBondContact OD2-NH1 3.44Å; D1066-R1233 IonicContact OD2-NH2 3.7Å; D1066-R1233 PolarHBondContact OD2-NH2 2.91Å |
| 1067 | V | 83.7 | Confident | 81.3 | Confident | 56 Ų | 56 | 48.4 Ų | 48.4 | 34% | 0.339 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.2 | -44.8 | 173.6 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | A1063 E1064 L1065 R1069 Q1070 R1071 | A1063-V1067 WeakPolarHBondContact O-CG2 3.46Å; A1063-V1067 PolarHBondContact O-N 3.41Å; E1064-V1067 PolarHBondContact O-N 3.18Å; L1065-V1067 VanDerWaalsContact C-N 3.34Å; V1067-R1069 VanDerWaalsContact C-N 3.34Å; V1067-R1069 PolarHBondContact O-N 2.67Å; V1067-Q1070 PolarHBondContact O-N 3.35Å; V1067-R1071 WeakPolarHBondContact O-CB 3.46Å; V1067-R1071 PolarHBondContact O-N 2.89Å; V1067-R1071 VanDerWaalsContact O-N 3.08Å |
| 1068 | I | 85.9 | Confident | 80.6 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 176.6 | -66.5 | 165.1 | 0 | 0 | 0 | 110.2 | I923 Q926 L927 Q930 E1064 L1065 Q1070 R1071 S1072 Y1138 | I923-I1068 HydrophobicContact CB-CD1 4.31Å; I923-I1068 HydrophobicContact CD1-CD1 4.33Å; Q926-I1068 HydrophobicContact CB-CD1 3.95Å; L927-I1068 HydrophobicContact CD2-CD1 4.09Å; L927-I1068 HydrophobicContact CD2-CG1 3.83Å; L927-I1068 HydrophobicContact CG-CD1 4.18Å; L927-I1068 HydrophobicContact CG-CG1 4.37Å; Q930-I1068 HydrophobicContact CG-CG1 4.36Å; E1064-I1068 WeakPolarHBondContact O-CG1 3.4Å; E1064-I1068 PolarHBondContact O-N 3.32Å; L1065-I1068 HydrophobicContact CD2-CD1 4.49Å; L1065-I1068 PolarHBondContact O-N 3.38Å; I1068-Q1070 VanDerWaalsContact C-N 3.35Å; I1068-Q1070 PolarHBondContact O-N 2.72Å; I1068-R1071 PolarHBondContact O-N 2.84Å; I1068-S1072 WeakPolarHBondContact O-CB 3.39Å; I1068-S1072 PolarHBondContact O-N 3.47Å; I1068-Y1138 HydrophobicContact CG2-CD1 4.29Å; I1068-Y1138 HydrophobicContact CG2-CD2 3.77Å; I1068-Y1138 HydrophobicContact CG2-CE2 4.32Å; I1068-Y1138 HydrophobicContact CG2-CG 3.76Å |
| 1069 | R | 81.4 | Confident | 80.1 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 31% | 0.306 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 178 | -175.1 | 178.4 | 177.4 | -159.7 | -0.9 | 113.2 | L1065 D1066 V1067 S1072 S1078 Y1138 | L1065-R1069 WeakPolarHBondContact O-CB 3.42Å; L1065-R1069 PolarHBondContact O-N 2.77Å; D1066-R1069 PolarHBondContact O-N 2.84Å; V1067-R1069 VanDerWaalsContact C-N 3.34Å; V1067-R1069 PolarHBondContact O-N 2.67Å; R1069-S1072 PolarHBondContact O-OG 3.17Å; R1069-S1078 PolarHBondContact NE-O 3.27Å; R1069-S1078 PolarHBondContact NH2-O 3.11Å; R1069-Y1138 VanDerWaalsContact CB-OH 3.31Å; R1069-Y1138 WeakPolarHBondContact CB-OH 3.47Å; R1069-Y1138 VanDerWaalsContact CG-OH 3.3Å; R1069-Y1138 WeakPolarHBondContact CG-OH 3.38Å |
| 1070 | Q | 80.3 | Confident | 79.9 | Confident | 165 Ų | 165 | 51.5 Ų | 51.5 | 77% | 0.771 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -72.7 | -29.8 | -179.1 | -74.9 | 174.3 | 10 | 0 | 0 | 112.9 | D1066 V1067 I1068 | D1066-Q1070 WeakPolarHBondContact O-CB 3.43Å; D1066-Q1070 VanDerWaalsContact O-CG 3.27Å; D1066-Q1070 WeakPolarHBondContact O-CG 3.4Å; D1066-Q1070 PolarHBondContact O-N 2.87Å; V1067-Q1070 PolarHBondContact O-N 3.35Å; I1068-Q1070 VanDerWaalsContact C-N 3.35Å; I1068-Q1070 PolarHBondContact O-N 2.72Å |
| 1071 | R | 79.1 | Confident | 79.7 | Confident | 94 Ų | 94 | 54.1 Ų | 54.1 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -98.4 | -15.4 | -175.9 | -70.8 | -173.9 | 167.7 | -143.2 | -4.7 | 114.4 | Q930 D935 V1067 I1068 D1073 | Q930-R1071 HydrophobicContact CB-CB 4.04Å; Q930-R1071 HydrophobicContact CG-CB 4.26Å; Q930-R1071 PolarHBondContact O-NH1 3.46Å; Q930-R1071 VanDerWaalsContact OE1-CB 3.23Å; Q930-R1071 PolarHBondContact OE1-O 2.84Å; Q930-R1071 VanDerWaalsContact OE1-O 3.09Å; D935-R1071 IonicContact OD2-CZ 3.25Å; D935-R1071 IonicContact OD2-NH1 2.99Å; D935-R1071 PolarHBondContact OD2-NH1 3.27Å; D935-R1071 IonicContact OD2-NH2 2.68Å; V1067-R1071 WeakPolarHBondContact O-CB 3.46Å; V1067-R1071 PolarHBondContact O-N 2.89Å; V1067-R1071 VanDerWaalsContact O-N 3.08Å; I1068-R1071 PolarHBondContact O-N 2.84Å; R1071-D1073 PolarHBondContact O-N 2.91Å; R1071-D1073 VanDerWaalsContact O-N 3.12Å |
| 1072 | S | 71.7 | Confident | 79.5 | Confident | 13 Ų | 13 | 55.2 Ų | 55.2 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | trans | -61.5 | 116.1 | -178.4 | 59.6 | 0 | 0 | 0 | 0 | 111 | Q930 I1068 R1069 I1074 | Q930-S1072 VanDerWaalsContact OE1-N 3.15Å; I1068-S1072 WeakPolarHBondContact O-CB 3.39Å; I1068-S1072 PolarHBondContact O-N 3.47Å; R1069-S1072 PolarHBondContact O-OG 3.17Å; S1072-I1074 PolarHBondContact O-N 2.93Å | ||
| 1073 | D | 64.7 | Low | 79.3 | Confident | 126 Ų | 126 | 56 Ų | 56 | 67% | 0.674 | 30% | 0.3 | S | S | * | . | trans | -67.1 | -3 | 174.4 | -70.4 | -34.2 | 0 | 0 | 0 | 112.4 | K932 R1071 V1075 | K932-D1073 IonicContact NZ-OD1 2.8Å; K932-D1073 PolarHBondContact NZ-OD1 3.39Å; K932-D1073 IonicContact NZ-OD2 2.89Å; K932-D1073 PolarHBondContact NZ-OD2 3.04Å; R1071-D1073 PolarHBondContact O-N 2.91Å; R1071-D1073 VanDerWaalsContact O-N 3.12Å; D1073-V1075 PolarHBondContact O-N 3.49Å | ||
| 1074 | I | 64.4 | Low | 79.3 | Confident | 50 Ų | 50 | 56 Ų | 56 | 26% | 0.256 | 29% | 0.29 | S | S | . | . | trans | -82.3 | 83.2 | 178.3 | -50.7 | 165.6 | 0 | 0 | 0 | 108.7 | S1072 C1076 L1077 Q1141 | S1072-I1074 PolarHBondContact O-N 2.93Å; I1074-C1076 HydrophobicContact CG2-CB 4.47Å; I1074-C1076 PolarHBondContact O-N 2.98Å; I1074-L1077 HydrophobicContact CG2-CB 4.39Å; I1074-L1077 HydrophobicContact CG2-CD1 4.08Å; I1074-L1077 HydrophobicContact CG2-CG 4.18Å; I1074-L1077 PolarHBondContact O-N 3.46Å; I1074-Q1141 HydrophobicContact CD1-CG 3.84Å; I1074-Q1141 VanDerWaalsContact CD1-NE2 3.29Å | ||
| 1075 | V | 60.8 | Low | 79.3 | Confident | 114 Ų | 114 | 57 Ų | 57 | 69% | 0.691 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -45.8 | -32.3 | 178.7 | -179 | 0 | 0 | 0 | 0 | 112.5 | D1073 L1077 S1078 | D1073-V1075 PolarHBondContact O-N 3.49Å; V1075-L1077 PolarHBondContact O-N 3.21Å; V1075-S1078 PolarHBondContact O-OG 3.22Å |
| 1076 | C | 68.5 | Low | 79.4 | Confident | 26 Ų | 26 | 56.8 Ų | 56.8 | 18% | 0.176 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -74.6 | -21.7 | -174.1 | -149.2 | 0 | 0 | 0 | 0 | 115.1 | I1074 F1080 S1105 S1106 A1107 | I1074-C1076 HydrophobicContact CG2-CB 4.47Å; I1074-C1076 PolarHBondContact O-N 2.98Å; C1076-F1080 VanDerWaalsContact O-CD2 3.27Å; C1076-F1080 WeakPolarHBondContact O-CD2 3.09Å; C1076-F1080 WeakPolarHBondContact O-CE2 3.45Å; C1076-S1105 PolarHBondContact SG-OG 2.95Å; C1076-S1106 VanDerWaalsContact SG-C 3.56Å; C1076-S1106 PolarHBondContact SG-N 2.95Å; C1076-S1106 PolarHBondContact SG-OG 3.49Å; C1076-A1107 PolarHBondContact SG-N 3.36Å |
| 1077 | L | 79 | Confident | 79.8 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -103.1 | -27.3 | -176 | -71.6 | 170.8 | 0 | 0 | 0 | 113.8 | I1074 V1075 D1079 F1080 A1107 V1136 Y1138 Q1141 L1143 | I1074-L1077 HydrophobicContact CG2-CB 4.39Å; I1074-L1077 HydrophobicContact CG2-CD1 4.08Å; I1074-L1077 HydrophobicContact CG2-CG 4.18Å; I1074-L1077 PolarHBondContact O-N 3.46Å; V1075-L1077 PolarHBondContact O-N 3.21Å; L1077-D1079 PolarHBondContact O-N 2.94Å; L1077-F1080 PolarHBondContact O-N 2.92Å; L1077-F1080 VanDerWaalsContact O-N 3.09Å; L1077-A1107 HydrophobicContact CD2-CB 4.18Å; L1077-V1136 HydrophobicContact CB-CG1 4.46Å; L1077-Y1138 HydrophobicContact CB-CE1 4.37Å; L1077-Q1141 HydrophobicContact CD1-CB 4.06Å; L1077-L1143 HydrophobicContact CD2-CD1 4.47Å; L1077-L1143 HydrophobicContact CD2-CD2 3.8Å; L1077-L1143 HydrophobicContact CD2-CG 3.84Å |
| 1078 | S | 75.5 | Confident | 80.3 | Confident | 30 Ų | 30 | 55.8 Ų | 55.8 | 21% | 0.21 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.8 | -26.8 | -175.6 | 50.2 | 0 | 0 | 0 | 0 | 113.5 | R1069 V1075 F1080 | R1069-S1078 PolarHBondContact NE-O 3.27Å; R1069-S1078 PolarHBondContact NH2-O 3.11Å; V1075-S1078 PolarHBondContact O-OG 3.22Å; S1078-F1080 PolarHBondContact O-N 3.28Å |
| 1079 | D | 80.7 | Confident | 80.6 | Confident | 114 Ų | 114 | 61.4 Ų | 61.4 | 61% | 0.61 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -17.5 | 175.4 | -69.8 | -21.6 | 0 | 0 | 0 | 113.4 | L1077 Q1084 | L1077-D1079 PolarHBondContact O-N 2.94Å; D1079-Q1084 PolarHBondContact O-OE1 3.05Å |
| 1080 | F | 86 | Confident | 81 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 7% | 0.066 | 30% | 0.296 | C | S | . | . | trans | -95.8 | 141.2 | -176.1 | -64.1 | -67.2 | 0 | 0 | 0 | 112.8 | C1076 L1077 S1078 Q1084 V1102 A1107 I1133 L1143 | C1076-F1080 VanDerWaalsContact O-CD2 3.27Å; C1076-F1080 WeakPolarHBondContact O-CD2 3.09Å; C1076-F1080 WeakPolarHBondContact O-CE2 3.45Å; L1077-F1080 PolarHBondContact O-N 2.92Å; L1077-F1080 VanDerWaalsContact O-N 3.09Å; S1078-F1080 PolarHBondContact O-N 3.28Å; F1080-Q1084 VanDerWaalsContact CA-OE1 3.32Å; F1080-V1102 HydrophobicContact CE1-CG1 4.04Å; F1080-V1102 HydrophobicContact CZ-CB 4.28Å; F1080-V1102 HydrophobicContact CZ-CG1 3.78Å; F1080-V1102 HydrophobicContact CZ-CG2 4.31Å; F1080-A1107 HydrophobicContact CD2-CB 4.38Å; F1080-A1107 HydrophobicContact CE2-CB 3.65Å; F1080-A1107 HydrophobicContact CZ-CB 4.37Å; F1080-I1133 HydrophobicContact CB-CD1 3.66Å; F1080-I1133 HydrophobicContact CD1-CD1 3.31Å; F1080-I1133 HydrophobicContact CE1-CD1 4.21Å; F1080-I1133 HydrophobicContact CG-CD1 3.73Å; F1080-L1143 HydrophobicContact CB-CD1 4.5Å; F1080-L1143 HydrophobicContact CB-CD2 3.94Å; F1080-L1143 HydrophobicContact CD1-CD1 4.3Å; F1080-L1143 HydrophobicContact CD2-CD1 3.72Å; F1080-L1143 HydrophobicContact CD2-CD2 4.27Å; F1080-L1143 HydrophobicContact CE1-CD1 4.49Å; F1080-L1143 HydrophobicContact CE2-CD1 3.93Å; F1080-L1143 HydrophobicContact CG-CD1 3.9Å; F1080-L1143 HydrophobicContact CG-CD2 4.22Å; F1080-L1143 HydrophobicContact CZ-CD1 4.32Å | ||
| 1081 | H | 83.7 | Confident | 81.4 | Confident | 92 Ų | 92 | 54.1 Ų | 54.1 | 43% | 0.426 | 28% | 0.281 | S | S | . | . | trans | -135 | 154.3 | 173.2 | 63.4 | -73.8 | 0 | 0 | 0 | 112.2 | G1083 Q1084 | H1081-G1083 PolarHBondContact O-N 2.74Å; H1081-Q1084 PolarHBondContact CE1-OE1 3.4Å; H1081-Q1084 PolarHBondContact ND1-OE1 3.33Å; H1081-Q1084 WeakPolarHBondContact O-CB 3.42Å; H1081-Q1084 PolarHBondContact O-N 2.98Å; H1081-Q1084 VanDerWaalsContact O-N 3.09Å | ||
| 1082 | I | 86.8 | Confident | 81.8 | Confident | 34 Ų | 34 | 50.7 Ų | 50.7 | 17% | 0.174 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 122.3 | 178.3 | -67.7 | 174.4 | 0 | 0 | 0 | 109.5 | F1135 L1186 M1197 Y1199 | I1082-F1135 HydrophobicContact CD1-CD2 4.46Å; I1082-L1186 HydrophobicContact CG2-CD1 3.77Å; I1082-L1186 HydrophobicContact CG2-CD2 4.16Å; I1082-M1197 HydrophobicContact CB-CE 4.37Å; I1082-M1197 HydrophobicContact CG2-CE 3.19Å; I1082-Y1199 HydrophobicContact CD1-CE1 4.13Å; I1082-Y1199 HydrophobicContact CG2-CE1 4.32Å |
| 1083 | G | 84.8 | Confident | 82.2 | Confident | 24 Ų | 24 | 52 Ų | 52 | 25% | 0.247 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 99.9 | -10.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | H1081 I1133 | H1081-G1083 PolarHBondContact O-N 2.74Å; G1083-I1133 PolarHBondContact N-O 3.46Å |
| 1084 | Q | 87.1 | Confident | 82.9 | Confident | 50 Ų | 50 | 50.6 Ų | 50.6 | 23% | 0.234 | 27% | 0.27 | C | S | . | . | trans | -64.4 | 143.1 | 174.7 | -175.3 | 175 | -12 | 0 | 0 | 111.1 | D1079 F1080 H1081 V1132 I1133 | D1079-Q1084 PolarHBondContact O-OE1 3.05Å; F1080-Q1084 VanDerWaalsContact CA-OE1 3.32Å; H1081-Q1084 PolarHBondContact CE1-OE1 3.4Å; H1081-Q1084 PolarHBondContact ND1-OE1 3.33Å; H1081-Q1084 WeakPolarHBondContact O-CB 3.42Å; H1081-Q1084 PolarHBondContact O-N 2.98Å; H1081-Q1084 VanDerWaalsContact O-N 3.09Å; Q1084-V1132 WeakPolarHBondContact O-CA 3.43Å; Q1084-I1133 HydrophobicContact CB-CD1 4.2Å; Q1084-I1133 PolarHBondContact O-N 3.14Å | ||
| 1085 | I | 89.1 | Confident | 83.3 | Confident | 45 Ų | 45 | 55.9 Ų | 55.9 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 130.6 | 174.4 | -64.3 | 136.8 | 0 | 0 | 0 | 108.6 | A1131 C1155 Q1156 | I1085-A1131 VanDerWaalsContact CA-O 3.32Å; I1085-A1131 WeakPolarHBondContact CA-O 3.42Å; I1085-C1155 HydrophobicContact CD1-CB 4.36Å; I1085-Q1156 HydrophobicContact CD1-CB 4.1Å; I1085-Q1156 HydrophobicContact CD1-CG 3.47Å; I1085-Q1156 VanDerWaalsContact CD1-CG 3.47Å; I1085-Q1156 HydrophobicContact CG1-CG 4.19Å; I1085-Q1156 HydrophobicContact CG2-CG 4.43Å |
| 1086 | C | 89.7 | Confident | 84 | Confident | 14 Ų | 14 | 55 Ų | 55 | 10% | 0.095 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 161.4 | 174.4 | 61.8 | 0 | 0 | 0 | 0 | 109.7 | V1102 A1131 | C1086-V1102 HydrophobicContact CB-CG1 3.89Å; C1086-A1131 PolarHBondContact N-O 2.75Å; C1086-A1131 PolarHBondContact O-N 3.23Å; C1086-A1131 VanDerWaalsContact O-O 3.06Å |
| 1087 | N | 92.8 | Very high | 84.8 | Confident | 80 Ų | 80 | 56 Ų | 56 | 43% | 0.428 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 138.5 | 168.6 | -73.3 | -14 | 0 | 0 | 0 | 108.5 | V1103 H1129 | N1087-V1103 HydrophobicContact CB-CB 3.93Å; N1087-V1103 HydrophobicContact CB-CG2 3.86Å; N1087-V1103 PolarHBondContact O-N 2.87Å; N1087-H1129 WeakPolarHBondContact CA-O 3.35Å |
| 1088 | V | 93.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138.6 | 177.6 | -60 | 0 | 0 | 0 | 0 | 110 | C1100 V1101 V1102 A1109 E1128 H1129 A1131 V1145 I1147 | V1088-C1100 HydrophobicContact CB-CB 3.88Å; V1088-C1100 HydrophobicContact CG2-CB 4.21Å; V1088-V1101 CarbonylContact C-O 3.58Å; V1088-V1101 WeakPolarHBondContact CA-O 3.34Å; V1088-V1102 HydrophobicContact CG1-CG2 4.28Å; V1088-A1109 HydrophobicContact CG1-CB 4.23Å; V1088-E1128 CarbonylContact O-C 3.51Å; V1088-E1128 WeakPolarHBondContact O-CA 3.47Å; V1088-H1129 PolarHBondContact N-O 2.9Å; V1088-H1129 PolarHBondContact O-N 3.42Å; V1088-A1131 HydrophobicContact CB-CB 4.49Å; V1088-A1131 HydrophobicContact CG1-CB 3.91Å; V1088-A1131 HydrophobicContact CG2-CB 3.76Å; V1088-V1145 HydrophobicContact CG1-CG2 4.47Å; V1088-I1147 HydrophobicContact CG2-CD1 3.76Å; V1088-I1147 HydrophobicContact CG2-CG1 4.06Å |
| 1089 | R | 92.1 | Very high | 85.8 | Confident | 119 Ų | 119 | 59 Ų | 59 | 45% | 0.449 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127 | 175.3 | -169.2 | -177.9 | -64 | 170.4 | -0.3 | 109.5 | I1091 C1100 V1101 V1103 G1126 S1127 E1128 | R1089-I1091 PolarHBondContact O-N 2.9Å; R1089-C1100 CarbonylContact O-C 3.57Å; R1089-C1100 WeakPolarHBondContact O-CA 3.48Å; R1089-C1100 VanDerWaalsContact O-CB 3.32Å; R1089-C1100 WeakPolarHBondContact O-CB 3.41Å; R1089-V1101 PolarHBondContact N-O 2.85Å; R1089-V1101 PolarHBondContact O-N 2.85Å; R1089-V1103 HydrophobicContact CB-CG2 4.24Å; R1089-G1126 WeakPolarHBondContact CG-O 3.29Å; R1089-S1127 WeakPolarHBondContact CA-O 3.3Å; R1089-E1128 HydrophobicContact CB-CG 4.09Å; R1089-E1128 HydrophobicContact CG-CG 4.02Å; R1089-E1128 IonicContact CZ-OE1 3.43Å; R1089-E1128 VanDerWaalsContact CZ-OE1 3.25Å; R1089-E1128 IonicContact NE-OE1 3.13Å; R1089-E1128 PolarHBondContact NE-OE1 3.34Å; R1089-E1128 IonicContact NH2-OE1 3.32Å; R1089-E1128 PolarHBondContact NH2-OE1 3.08Å |
| 1090 | V | 91.4 | Very high | 86.4 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 126.5 | 178.5 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | L1098 G1126 S1127 | V1090-L1098 HydrophobicContact CG1-CD2 4.12Å; V1090-G1126 PolarHBondContact O-N 3.1Å; V1090-S1127 PolarHBondContact N-O 3.31Å |
| 1091 | I | 89.2 | Confident | 86.6 | Confident | 91 Ų | 91 | 54.8 Ų | 54.8 | 47% | 0.467 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -37.2 | 177.9 | -58.8 | -175.8 | 0 | 0 | 0 | 110.9 | R1089 Q1099 V1101 I1125 | R1089-I1091 PolarHBondContact O-N 2.9Å; I1091-Q1099 PolarHBondContact N-O 3.32Å; I1091-V1101 HydrophobicContact CD1-CB 3.66Å; I1091-V1101 HydrophobicContact CD1-CG2 3.19Å; I1091-V1101 HydrophobicContact CG1-CG2 4.39Å; I1091-I1125 VanDerWaalsContact O-CG2 3.3Å; I1091-I1125 WeakPolarHBondContact O-CG2 3.46Å |
| 1092 | A | 86.3 | Confident | 86.9 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 141 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | F1094 Q1099 | A1092-F1094 HydrophobicContact CB-CE2 3.72Å; A1092-F1094 HydrophobicContact CB-CZ 3.98Å; A1092-Q1099 HydrophobicContact CB-CB 4.24Å; A1092-Q1099 PolarHBondContact N-O 2.77Å; A1092-Q1099 VanDerWaalsContact N-O 3.13Å; A1092-Q1099 PolarHBondContact O-N 3.3Å |
| 1093 | S | 80.8 | Confident | 86.8 | Confident | 40 Ų | 40 | 50.3 Ų | 50.3 | 28% | 0.28 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 129 | 173.7 | 55.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 1094 | F | 78.8 | Confident | 86.8 | Confident | 98 Ų | 98 | 57.3 Ų | 57.3 | 43% | 0.43 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 155.2 | 171.7 | -55.2 | -85.3 | 0 | 0 | 0 | 107.9 | A1092 R1096 T1097 Q1099 A1120 | A1092-F1094 HydrophobicContact CB-CE2 3.72Å; A1092-F1094 HydrophobicContact CB-CZ 3.98Å; F1094-R1096 PolarHBondContact O-N 2.77Å; F1094-T1097 PolarHBondContact N-O 2.95Å; F1094-T1097 PolarHBondContact O-N 3.1Å; F1094-Q1099 HydrophobicContact CD2-CG 4.36Å; F1094-Q1099 HydrophobicContact CE2-CB 4.33Å; F1094-Q1099 HydrophobicContact CE2-CG 3.77Å; F1094-A1120 WeakPolarHBondContact O-CB 3.36Å |
| 1095 | E | 73.7 | Confident | 86.6 | Confident | 161 Ų | 161 | 56.5 Ų | 56.5 | 75% | 0.752 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.2 | -37.7 | -171.2 | -75.6 | -176.6 | 160 | 0 | 0 | 115.1 | ||
| 1096 | R | 74.8 | Confident | 86.1 | Confident | 95 Ų | 95 | 59 Ų | 59 | 36% | 0.358 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | 2.1 | -178.7 | -63.6 | -175 | 177.1 | -148.7 | -7 | 115.4 | S15 D184 F1094 A1113 M1116 | S15-R1096 WeakPolarHBondContact OG-CD 3.49Å; S15-R1096 PolarHBondContact OG-NE 3.24Å; S15-R1096 PolarHBondContact OG-NH1 3.41Å; D184-R1096 IonicContact OD1-CZ 2.73Å; D184-R1096 VanDerWaalsContact OD1-CZ 3.24Å; D184-R1096 IonicContact OD1-NH1 3.52Å; D184-R1096 PolarHBondContact OD1-NH1 3.35Å; D184-R1096 IonicContact OD1-NH2 3.91Å; D184-R1096 PolarHBondContact OD1-NH2 3.01Å; F1094-R1096 PolarHBondContact O-N 2.77Å; R1096-A1113 HydrophobicContact CB-CB 4.18Å; R1096-A1113 PolarHBondContact O-N 3.46Å; R1096-M1116 WeakPolarHBondContact O-CE 3.49Å |
| 1097 | T | 85.2 | Confident | 85.9 | Confident | 47 Ų | 47 | 58.6 Ų | 58.6 | 29% | 0.288 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 143.6 | -179.7 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | F1094 V1110 V1111 I1112 M1116 | F1094-T1097 PolarHBondContact N-O 2.95Å; F1094-T1097 PolarHBondContact O-N 3.1Å; T1097-V1110 HydrophobicContact CG2-CG1 4.47Å; T1097-V1111 CarbonylContact C-O 3.56Å; T1097-V1111 WeakPolarHBondContact CA-O 3.45Å; T1097-I1112 HydrophobicContact CG2-CG2 4.22Å; T1097-M1116 VanDerWaalsContact CA-CE 3.44Å |
| 1098 | L | 86.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 126 | 168 | -61.8 | 166.4 | 0 | 0 | 0 | 108.2 | V1090 V1110 V1111 M1116 A1120 Y1123 I1147 | V1090-L1098 HydrophobicContact CG1-CD2 4.12Å; L1098-V1110 WeakPolarHBondContact O-CA 3.32Å; L1098-V1111 HydrophobicContact CB-CB 4.03Å; L1098-V1111 HydrophobicContact CB-CG2 4.14Å; L1098-V1111 HydrophobicContact CD1-CB 4.34Å; L1098-V1111 HydrophobicContact CD1-CG2 4.44Å; L1098-V1111 PolarHBondContact N-O 3.39Å; L1098-V1111 PolarHBondContact O-N 3.4Å; L1098-M1116 HydrophobicContact CB-CE 4.3Å; L1098-M1116 HydrophobicContact CD1-CE 4.17Å; L1098-M1116 HydrophobicContact CD1-CG 4.16Å; L1098-M1116 HydrophobicContact CD1-SD 4.05Å; L1098-M1116 HydrophobicContact CG-CE 3.66Å; L1098-M1116 HydrophobicContact CG-SD 4.03Å; L1098-A1120 HydrophobicContact CD2-CB 4.08Å; L1098-Y1123 HydrophobicContact CD1-CD1 4.36Å; L1098-Y1123 HydrophobicContact CD1-CD2 3.78Å; L1098-Y1123 HydrophobicContact CD1-CE2 3.99Å; L1098-Y1123 HydrophobicContact CD1-CG 3.95Å; L1098-Y1123 HydrophobicContact CD2-CD2 4.3Å; L1098-Y1123 HydrophobicContact CD2-CG 4.48Å; L1098-I1147 HydrophobicContact CD1-CD1 4.35Å |
| 1099 | Q | 89.6 | Confident | 85.6 | Confident | 96 Ų | 96 | 63.4 Ų | 63.4 | 45% | 0.449 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 126.6 | 164.6 | -74.6 | -176 | -1.1 | 0 | 0 | 109 | I1091 A1092 F1094 V1110 | I1091-Q1099 PolarHBondContact N-O 3.32Å; A1092-Q1099 HydrophobicContact CB-CB 4.24Å; A1092-Q1099 PolarHBondContact N-O 2.77Å; A1092-Q1099 VanDerWaalsContact N-O 3.13Å; A1092-Q1099 PolarHBondContact O-N 3.3Å; F1094-Q1099 HydrophobicContact CD2-CG 4.36Å; F1094-Q1099 HydrophobicContact CE2-CB 4.33Å; F1094-Q1099 HydrophobicContact CE2-CG 3.77Å; Q1099-V1110 HydrophobicContact CG-CG2 4.32Å |
| 1100 | C | 92 | Very high | 85.6 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.02 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 165.1 | -176.6 | -51.4 | 0 | 0 | 0 | 0 | 110.3 | V1088 R1089 A1109 | V1088-C1100 HydrophobicContact CB-CB 3.88Å; V1088-C1100 HydrophobicContact CG2-CB 4.21Å; R1089-C1100 CarbonylContact O-C 3.57Å; R1089-C1100 WeakPolarHBondContact O-CA 3.48Å; R1089-C1100 VanDerWaalsContact O-CB 3.32Å; R1089-C1100 WeakPolarHBondContact O-CB 3.41Å; C1100-A1109 WeakPolarHBondContact CA-O 3.46Å; C1100-A1109 HydrophobicContact CB-CB 4.24Å; C1100-A1109 PolarHBondContact N-O 3Å; C1100-A1109 PolarHBondContact O-N 3.09Å; C1100-A1109 VanDerWaalsContact O-O 3.08Å |
| 1101 | V | 90.9 | Very high | 85.6 | Confident | 38 Ų | 38 | 59.4 Ų | 59.4 | 23% | 0.23 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 142.5 | 163.3 | 163.1 | 0 | 0 | 0 | 0 | 108.8 | V1088 R1089 I1091 V1103 S1105 A1107 R1108 | V1088-V1101 CarbonylContact C-O 3.58Å; V1088-V1101 WeakPolarHBondContact CA-O 3.34Å; R1089-V1101 PolarHBondContact N-O 2.85Å; R1089-V1101 PolarHBondContact O-N 2.85Å; I1091-V1101 HydrophobicContact CD1-CB 3.66Å; I1091-V1101 HydrophobicContact CD1-CG2 3.19Å; I1091-V1101 HydrophobicContact CG1-CG2 4.39Å; V1101-V1103 PolarHBondContact O-N 3.46Å; V1101-S1105 WeakPolarHBondContact CG1-O 3.39Å; V1101-A1107 WeakPolarHBondContact CA-O 3.12Å; V1101-R1108 HydrophobicContact CG2-CG 4.27Å |
| 1102 | V | 89.5 | Confident | 85.5 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 126.9 | 177.1 | -178 | 0 | 0 | 0 | 0 | 109.5 | F1080 C1086 V1088 N1104 S1105 A1107 A1109 L1143 | F1080-V1102 HydrophobicContact CE1-CG1 4.04Å; F1080-V1102 HydrophobicContact CZ-CB 4.28Å; F1080-V1102 HydrophobicContact CZ-CG1 3.78Å; F1080-V1102 HydrophobicContact CZ-CG2 4.31Å; C1086-V1102 HydrophobicContact CB-CG1 3.89Å; V1088-V1102 HydrophobicContact CG1-CG2 4.28Å; V1102-N1104 PolarHBondContact O-N 3.4Å; V1102-S1105 CarbonylContact O-C 3.56Å; V1102-S1105 PolarHBondContact O-N 2.98Å; V1102-S1105 VanDerWaalsContact O-N 3.08Å; V1102-A1107 HydrophobicContact CB-CB 4.43Å; V1102-A1107 HydrophobicContact CG2-CB 4.13Å; V1102-A1107 PolarHBondContact N-O 3.1Å; V1102-A1109 HydrophobicContact CG2-CB 4.27Å; V1102-L1143 HydrophobicContact CG2-CD1 3.58Å |
| 1103 | V | 86.1 | Confident | 85.5 | Confident | 28 Ų | 28 | 58.4 Ų | 58.4 | 17% | 0.17 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 131.7 | 178.1 | -179.3 | 0 | 0 | 0 | 0 | 109 | N1087 R1089 V1101 S1105 E1128 | N1087-V1103 HydrophobicContact CB-CB 3.93Å; N1087-V1103 HydrophobicContact CB-CG2 3.86Å; N1087-V1103 PolarHBondContact O-N 2.87Å; R1089-V1103 HydrophobicContact CB-CG2 4.24Å; V1101-V1103 PolarHBondContact O-N 3.46Å; V1103-S1105 VanDerWaalsContact C-N 3.29Å; V1103-S1105 PolarHBondContact O-N 3.42Å; V1103-E1128 HydrophobicContact CG2-CG 4.13Å |
| 1104 | N | 84.9 | Confident | 85.6 | Confident | 171 Ų | 171 | 61.6 Ų | 61.6 | 91% | 0.914 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 16 | -173.3 | -49.3 | -38.1 | 0 | 0 | 0 | 115.7 | V1102 | V1102-N1104 PolarHBondContact O-N 3.4Š|
| 1105 | S | 82.7 | Confident | 86.1 | Confident | 33 Ų | 33 | 57.3 Ų | 57.3 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -140.7 | 156.7 | 174.9 | 168.7 | 0 | 0 | 0 | 0 | 109.7 | C1076 V1101 V1102 V1103 A1107 | C1076-S1105 PolarHBondContact SG-OG 2.95Å; V1101-S1105 WeakPolarHBondContact CG1-O 3.39Å; V1102-S1105 CarbonylContact O-C 3.56Å; V1102-S1105 PolarHBondContact O-N 2.98Å; V1102-S1105 VanDerWaalsContact O-N 3.08Å; V1103-S1105 VanDerWaalsContact C-N 3.29Å; V1103-S1105 PolarHBondContact O-N 3.42Å; S1105-A1107 WeakPolarHBondContact OG-CB 3.28Å; S1105-A1107 PolarHBondContact OG-N 3.32Å; S1105-A1107 VanDerWaalsContact OG-N 3.1Å |
| 1106 | S | 78.1 | Confident | 86.7 | Confident | 99 Ų | 99 | 50.3 Ų | 50.3 | 69% | 0.692 | 26% | 0.263 | S | S | * | . | trans | -86.8 | 5.2 | 171 | 58.4 | 0 | 0 | 0 | 0 | 112.8 | C1076 R1108 | C1076-S1106 VanDerWaalsContact SG-C 3.56Å; C1076-S1106 PolarHBondContact SG-N 2.95Å; C1076-S1106 PolarHBondContact SG-OG 3.49Å; S1106-R1108 PolarHBondContact O-N 2.84Å | ||
| 1107 | A | 84.3 | Confident | 86.9 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | trans | -70.5 | 129.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | C1076 L1077 F1080 V1101 V1102 S1105 L1143 | C1076-A1107 PolarHBondContact SG-N 3.36Å; L1077-A1107 HydrophobicContact CD2-CB 4.18Å; F1080-A1107 HydrophobicContact CD2-CB 4.38Å; F1080-A1107 HydrophobicContact CE2-CB 3.65Å; F1080-A1107 HydrophobicContact CZ-CB 4.37Å; V1101-A1107 WeakPolarHBondContact CA-O 3.12Å; V1102-A1107 HydrophobicContact CB-CB 4.43Å; V1102-A1107 HydrophobicContact CG2-CB 4.13Å; V1102-A1107 PolarHBondContact N-O 3.1Å; S1105-A1107 WeakPolarHBondContact OG-CB 3.28Å; S1105-A1107 PolarHBondContact OG-N 3.32Å; S1105-A1107 VanDerWaalsContact OG-N 3.1Å; A1107-L1143 HydrophobicContact CB-CD1 3.97Å | ||
| 1108 | R | 90 | Very high | 86.6 | Confident | 180 Ų | 180 | 56.8 Ų | 56.8 | 68% | 0.679 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 144.1 | 173 | -63.8 | 178.7 | -179.6 | 178.5 | -0.6 | 109.2 | V1101 S1106 V1142 L1143 | V1101-R1108 HydrophobicContact CG2-CG 4.27Å; S1106-R1108 PolarHBondContact O-N 2.84Å; R1108-V1142 HydrophobicContact CB-CG2 4.14Å; R1108-V1142 CarbonylContact O-C 3.46Å; R1108-V1142 WeakPolarHBondContact O-CA 3.47Å; R1108-V1142 WeakPolarHBondContact O-CG2 3.47Å; R1108-L1143 PolarHBondContact O-N 2.93Å |
| 1109 | A | 90.5 | Very high | 86.1 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 147.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V1088 C1100 V1102 L1143 V1145 | V1088-A1109 HydrophobicContact CG1-CB 4.23Å; C1100-A1109 WeakPolarHBondContact CA-O 3.46Å; C1100-A1109 HydrophobicContact CB-CB 4.24Å; C1100-A1109 PolarHBondContact N-O 3Å; C1100-A1109 PolarHBondContact O-N 3.09Å; C1100-A1109 VanDerWaalsContact O-O 3.08Å; V1102-A1109 HydrophobicContact CG2-CB 4.27Å; A1109-L1143 CarbonylContact C-O 3.59Å; A1109-L1143 WeakPolarHBondContact CA-O 3.27Å; A1109-L1143 HydrophobicContact CB-CB 4.07Å; A1109-V1145 HydrophobicContact CB-CG1 4.05Å; A1109-V1145 HydrophobicContact CB-CG2 3.95Å |
| 1110 | V | 92.7 | Very high | 85 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 21% | 0.212 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135.6 | 177.4 | 169.5 | 0 | 0 | 0 | 0 | 109.7 | T1097 L1098 Q1099 V1142 L1143 E1144 V1145 | T1097-V1110 HydrophobicContact CG2-CG1 4.47Å; L1098-V1110 WeakPolarHBondContact O-CA 3.32Å; Q1099-V1110 HydrophobicContact CG-CG2 4.32Å; V1110-V1142 HydrophobicContact CB-CG2 4.24Å; V1110-V1142 HydrophobicContact CG2-CG2 3.67Å; V1110-L1143 PolarHBondContact N-O 3.17Å; V1110-E1144 WeakPolarHBondContact O-CA 3.35Å; V1110-V1145 PolarHBondContact O-N 2.86Å |
| 1111 | V | 90.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 124.2 | 174 | -168.7 | 0 | 0 | 0 | 0 | 107.3 | T1097 L1098 H1115 M1116 V1145 I1147 | T1097-V1111 CarbonylContact C-O 3.56Å; T1097-V1111 WeakPolarHBondContact CA-O 3.45Å; L1098-V1111 HydrophobicContact CB-CB 4.03Å; L1098-V1111 HydrophobicContact CB-CG2 4.14Å; L1098-V1111 HydrophobicContact CD1-CB 4.34Å; L1098-V1111 HydrophobicContact CD1-CG2 4.44Å; L1098-V1111 PolarHBondContact N-O 3.39Å; L1098-V1111 PolarHBondContact O-N 3.4Å; V1111-H1115 HydrophobicContact CG1-CB 4.12Å; V1111-M1116 HydrophobicContact CB-CE 4.49Å; V1111-M1116 HydrophobicContact CG1-CG 3.75Å; V1111-M1116 WeakPolarHBondContact O-CE 3.37Å; V1111-V1145 HydrophobicContact CG2-CG2 3.6Å; V1111-I1147 HydrophobicContact CB-CD1 4.38Å; V1111-I1147 HydrophobicContact CG1-CD1 4.33Å; V1111-I1147 HydrophobicContact CG1-CG1 4.33Å; V1111-I1147 HydrophobicContact CG2-CD1 3.33Å; V1111-I1147 HydrophobicContact CG2-CG1 3.79Å |
| 1112 | I | 88.4 | Confident | 83.6 | Confident | 51 Ų | 51 | 63.3 Ų | 63.3 | 26% | 0.262 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 155.3 | 172.8 | 56.3 | 171.6 | 0 | 0 | 0 | 111 | T1097 H1114 H1115 I1218 | T1097-I1112 HydrophobicContact CG2-CG2 4.22Å; I1112-H1114 VanDerWaalsContact C-N 3.25Å; I1112-H1114 PolarHBondContact O-N 2.85Å; I1112-H1115 VanDerWaalsContact CG1-CD2 3.44Å; I1112-H1115 WeakPolarHBondContact CG1-CD2 3.45Å; I1112-H1115 WeakPolarHBondContact O-CA 3.27Å; I1112-H1115 PolarHBondContact O-N 3.3Å; I1112-I1218 HydrophobicContact CD1-CD1 4.19Å |
| 1113 | A | 84.3 | Confident | 83.3 | Confident | 41 Ų | 41 | 63.8 Ų | 63.8 | 34% | 0.339 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -47.5 | -42.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R1096 H1115 M1116 | R1096-A1113 HydrophobicContact CB-CB 4.18Å; R1096-A1113 PolarHBondContact O-N 3.46Å; A1113-H1115 PolarHBondContact O-N 2.84Å; A1113-M1116 PolarHBondContact O-N 2.93Å; A1113-M1116 VanDerWaalsContact O-N 3.15Å |
| 1114 | H | 83.1 | Confident | 83.2 | Confident | 107 Ų | 107 | 69.9 Ų | 69.9 | 50% | 0.495 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -62.7 | -16.5 | -179.9 | -54.1 | -57.5 | 0 | 0 | 0 | 114.5 | I1112 I1218 | I1112-H1114 VanDerWaalsContact C-N 3.25Å; I1112-H1114 PolarHBondContact O-N 2.85Å; H1114-I1218 HydrophobicContact CB-CG2 4.01Å |
| 1115 | H | 89.5 | Confident | 83.2 | Confident | 9 Ų | 9 | 67.4 Ų | 67.4 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -111 | 8.1 | -178.4 | -63.9 | -40 | 0 | 0 | 0 | 114.2 | V1111 I1112 A1113 L1134 A1146 I1147 R1148 V1178 | V1111-H1115 HydrophobicContact CG1-CB 4.12Å; I1112-H1115 VanDerWaalsContact CG1-CD2 3.44Å; I1112-H1115 WeakPolarHBondContact CG1-CD2 3.45Å; I1112-H1115 WeakPolarHBondContact O-CA 3.27Å; I1112-H1115 PolarHBondContact O-N 3.3Å; A1113-H1115 PolarHBondContact O-N 2.84Å; H1115-L1134 WeakPolarHBondContact CD2-CD1 3.1Å; H1115-L1134 WeakPolarHBondContact NE2-CD1 3.22Å; H1115-A1146 HydrophobicContact CB-CB 3.59Å; H1115-I1147 PolarHBondContact O-N 3.41Å; H1115-R1148 PolarHBondContact O-N 3.28Å; H1115-V1178 PolarHBondContact CE1-O 3.31Å; H1115-V1178 PolarHBondContact NE2-O 2.82Å |
| 1116 | M | 86.6 | Confident | 83.3 | Confident | 13 Ų | 13 | 67.8 Ų | 67.8 | 6% | 0.064 | 36% | 0.357 | C | S | . | . | trans | -88.7 | 151.2 | 169.2 | -53.3 | 178.8 | -170 | 0 | 0 | 109.9 | R1096 T1097 L1098 V1111 A1113 R1118 A1120 Y1123 | R1096-M1116 WeakPolarHBondContact O-CE 3.49Å; T1097-M1116 VanDerWaalsContact CA-CE 3.44Å; L1098-M1116 HydrophobicContact CB-CE 4.3Å; L1098-M1116 HydrophobicContact CD1-CE 4.17Å; L1098-M1116 HydrophobicContact CD1-CG 4.16Å; L1098-M1116 HydrophobicContact CD1-SD 4.05Å; L1098-M1116 HydrophobicContact CG-CE 3.66Å; L1098-M1116 HydrophobicContact CG-SD 4.03Å; V1111-M1116 HydrophobicContact CB-CE 4.49Å; V1111-M1116 HydrophobicContact CG1-CG 3.75Å; V1111-M1116 WeakPolarHBondContact O-CE 3.37Å; A1113-M1116 PolarHBondContact O-N 2.93Å; A1113-M1116 VanDerWaalsContact O-N 3.15Å; M1116-R1118 WeakPolarHBondContact CB-O 3.33Å; M1116-A1120 HydrophobicContact CE-CB 4.28Å; M1116-A1120 HydrophobicContact SD-CB 3.96Å; M1116-Y1123 HydrophobicContact CB-CE2 4.16Å | ||
| 1117 | E | 80 | Confident | 83.8 | Confident | 104 Ų | 104 | 64.5 Ų | 64.5 | 49% | 0.486 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -84.4 | -28 | 171.2 | -163.8 | 143.5 | -150.6 | 0 | 0 | 112.9 | Y1123 G1149 | E1117-Y1123 PolarHBondContact N-OH 2.75Å; E1117-G1149 WeakPolarHBondContact OE2-CA 3.17Å; E1117-G1149 PolarHBondContact OE2-N 3.28Å |
| 1118 | R | 77.8 | Confident | 84.1 | Confident | 174 Ų | 174 | 68.6 Ų | 68.6 | 66% | 0.657 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -130.1 | 172.8 | 178.3 | -57 | 179.4 | -177.3 | 173.5 | -0.2 | 110 | M1116 A1122 Y1123 | M1116-R1118 WeakPolarHBondContact CB-O 3.33Å; R1118-A1122 HydrophobicContact CB-CB 3.81Å; R1118-Y1123 HydrophobicContact CB-CE2 3.96Å; R1118-Y1123 PolarHBondContact N-OH 3.16Å; R1118-Y1123 VanDerWaalsContact N-OH 3.16Å; R1118-Y1123 WeakPolarHBondContact O-CE2 3.18Å |
| 1119 | V | 77.2 | Confident | 84.2 | Confident | 103 Ų | 103 | 62.2 Ų | 62.2 | 62% | 0.624 | 33% | 0.33 | S | S | * | . | trans | -61.7 | 149.6 | 170.7 | -166.7 | 0 | 0 | 0 | 0 | 109.5 | D1121 A1122 Y1123 | V1119-D1121 PolarHBondContact O-N 2.84Å; V1119-A1122 WeakPolarHBondContact O-CB 3.32Å; V1119-A1122 PolarHBondContact O-N 2.97Å; V1119-Y1123 WeakPolarHBondContact O-CD2 3.37Å | ||
| 1120 | A | 65.5 | Low | 84.3 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.008 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -54.5 | -38.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1094 L1098 M1116 A1122 Y1123 | F1094-A1120 WeakPolarHBondContact O-CB 3.36Å; L1098-A1120 HydrophobicContact CD2-CB 4.08Å; M1116-A1120 HydrophobicContact CE-CB 4.28Å; M1116-A1120 HydrophobicContact SD-CB 3.96Å; A1120-A1122 PolarHBondContact O-N 2.95Å; A1120-Y1123 PolarHBondContact O-N 3.34Å |
| 1121 | D | 74.4 | Confident | 84.3 | Confident | 120 Ų | 120 | 63.2 Ų | 63.2 | 64% | 0.642 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -68.3 | -15 | -179.1 | -53 | -26.2 | 0 | 0 | 0 | 113.9 | V1119 Y1123 | V1119-D1121 PolarHBondContact O-N 2.84Å; D1121-Y1123 VanDerWaalsContact C-N 3.27Å; D1121-Y1123 PolarHBondContact O-N 2.89Å |
| 1122 | A | 79.7 | Confident | 84.4 | Confident | 51 Ų | 51 | 63.2 Ų | 63.2 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -82.8 | -1.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1118 V1119 A1120 | R1118-A1122 HydrophobicContact CB-CB 3.81Å; V1119-A1122 WeakPolarHBondContact O-CB 3.32Å; V1119-A1122 PolarHBondContact O-N 2.97Å; A1120-A1122 PolarHBondContact O-N 2.95Å |
| 1123 | Y | 83.3 | Confident | 84.6 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 5% | 0.051 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -101.4 | 117.7 | 176 | -65.1 | -93.2 | 0 | 0 | 0 | 109.9 | L1098 M1116 E1117 R1118 V1119 A1120 D1121 I1125 H1129 I1147 | L1098-Y1123 HydrophobicContact CD1-CD1 4.36Å; L1098-Y1123 HydrophobicContact CD1-CD2 3.78Å; L1098-Y1123 HydrophobicContact CD1-CE2 3.99Å; L1098-Y1123 HydrophobicContact CD1-CG 3.95Å; L1098-Y1123 HydrophobicContact CD2-CD2 4.3Å; L1098-Y1123 HydrophobicContact CD2-CG 4.48Å; M1116-Y1123 HydrophobicContact CB-CE2 4.16Å; E1117-Y1123 PolarHBondContact N-OH 2.75Å; R1118-Y1123 HydrophobicContact CB-CE2 3.96Å; R1118-Y1123 PolarHBondContact N-OH 3.16Å; R1118-Y1123 VanDerWaalsContact N-OH 3.16Å; R1118-Y1123 WeakPolarHBondContact O-CE2 3.18Å; V1119-Y1123 WeakPolarHBondContact O-CD2 3.37Å; A1120-Y1123 PolarHBondContact O-N 3.34Å; D1121-Y1123 VanDerWaalsContact C-N 3.27Å; D1121-Y1123 PolarHBondContact O-N 2.89Å; Y1123-I1125 PolarHBondContact O-N 2.97Å; Y1123-H1129 AromaticContact CD1-CE1 3.78Å; Y1123-H1129 AromaticContact CD1-NE2 3.65Å; Y1123-I1147 HydrophobicContact CE1-CG2 4.38Å |
| 1124 | E | 83.7 | Confident | 85 | Confident | 157 Ų | 157 | 58.9 Ų | 58.9 | 73% | 0.734 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -68 | 132.2 | 177 | -65.7 | 175.9 | -179 | 0 | 0 | 110.6 | G1126 S1127 | E1124-G1126 PolarHBondContact O-N 2.9Å; E1124-S1127 VanDerWaalsContact O-CB 3.23Å; E1124-S1127 WeakPolarHBondContact O-CB 3.42Å; E1124-S1127 PolarHBondContact O-N 2.86Å; E1124-S1127 PolarHBondContact O-OG 3.47Å |
| 1125 | I | 84.5 | Confident | 85.4 | Confident | 118 Ų | 118 | 54.7 Ų | 54.7 | 61% | 0.605 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 124.7 | 173.1 | -63.2 | 171.2 | 0 | 0 | 0 | 108.2 | I1091 Y1123 | I1091-I1125 VanDerWaalsContact O-CG2 3.3Å; I1091-I1125 WeakPolarHBondContact O-CG2 3.46Å; Y1123-I1125 PolarHBondContact O-N 2.97Å |
| 1126 | G | 83.8 | Confident | 85.3 | Confident | 42 Ų | 42 | 54.7 Ų | 54.7 | 43% | 0.433 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.5 | -13 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R1089 V1090 E1124 | R1089-G1126 WeakPolarHBondContact CG-O 3.29Å; V1090-G1126 PolarHBondContact O-N 3.1Å; E1124-G1126 PolarHBondContact O-N 2.9Å |
| 1127 | S | 89 | Confident | 85.4 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 20% | 0.203 | 29% | 0.291 | C | S | . | . | trans | -68.8 | 140.5 | 176.8 | 64.4 | 0 | 0 | 0 | 0 | 112.2 | R1089 V1090 E1124 H1129 | R1089-S1127 WeakPolarHBondContact CA-O 3.3Å; V1090-S1127 PolarHBondContact N-O 3.31Å; E1124-S1127 VanDerWaalsContact O-CB 3.23Å; E1124-S1127 WeakPolarHBondContact O-CB 3.42Å; E1124-S1127 PolarHBondContact O-N 2.86Å; E1124-S1127 PolarHBondContact O-OG 3.47Å; S1127-H1129 WeakPolarHBondContact CB-NE2 3.43Å; S1127-H1129 PolarHBondContact OG-NE2 3.12Å | ||
| 1128 | E | 92.2 | Very high | 85.5 | Confident | 91 Ų | 91 | 51.1 Ų | 51.1 | 43% | 0.425 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 133.3 | 179.8 | -64.4 | -171.3 | 177.7 | 0 | 0 | 111.4 | V1088 R1089 V1103 | V1088-E1128 CarbonylContact O-C 3.51Å; V1088-E1128 WeakPolarHBondContact O-CA 3.47Å; R1089-E1128 HydrophobicContact CB-CG 4.09Å; R1089-E1128 HydrophobicContact CG-CG 4.02Å; R1089-E1128 IonicContact CZ-OE1 3.43Å; R1089-E1128 VanDerWaalsContact CZ-OE1 3.25Å; R1089-E1128 IonicContact NE-OE1 3.13Å; R1089-E1128 PolarHBondContact NE-OE1 3.34Å; R1089-E1128 IonicContact NH2-OE1 3.32Å; R1089-E1128 PolarHBondContact NH2-OE1 3.08Å; V1103-E1128 HydrophobicContact CG2-CG 4.13Å |
| 1129 | H | 91.8 | Very high | 85.4 | Confident | 47 Ų | 47 | 48.1 Ų | 48.1 | 22% | 0.218 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 141.4 | -177.7 | -60.4 | -90.6 | 0 | 0 | 0 | 111.3 | N1087 V1088 Y1123 S1127 A1131 I1147 | N1087-H1129 WeakPolarHBondContact CA-O 3.35Å; V1088-H1129 PolarHBondContact N-O 2.9Å; V1088-H1129 PolarHBondContact O-N 3.42Å; Y1123-H1129 AromaticContact CD1-CE1 3.78Å; Y1123-H1129 AromaticContact CD1-NE2 3.65Å; S1127-H1129 WeakPolarHBondContact CB-NE2 3.43Å; S1127-H1129 PolarHBondContact OG-NE2 3.12Å; H1129-A1131 PolarHBondContact O-N 3.34Å; H1129-I1147 HydrophobicContact CB-CD1 4.23Å; H1129-I1147 HydrophobicContact CB-CG1 4.4Å; H1129-I1147 HydrophobicContact CB-CG2 3.6Å |
| 1130 | P | 92.8 | Very high | 85.7 | Confident | 56 Ų | 56 | 48.5 Ų | 48.5 | 36% | 0.364 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 131.8 | 170.7 | 31.3 | -34 | 0 | 0 | 0 | 109.3 | V1152 | P1130-V1152 HydrophobicContact CB-CG1 3.99Å; P1130-V1152 HydrophobicContact CG-CG1 4.25Å; P1130-V1152 WeakPolarHBondContact O-CG2 3.49Å |
| 1131 | A | 92.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 152 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1085 C1086 V1088 H1129 V1145 A1146 I1147 | I1085-A1131 VanDerWaalsContact CA-O 3.32Å; I1085-A1131 WeakPolarHBondContact CA-O 3.42Å; C1086-A1131 PolarHBondContact N-O 2.75Å; C1086-A1131 PolarHBondContact O-N 3.23Å; C1086-A1131 VanDerWaalsContact O-O 3.06Å; V1088-A1131 HydrophobicContact CB-CB 4.49Å; V1088-A1131 HydrophobicContact CG1-CB 3.91Å; V1088-A1131 HydrophobicContact CG2-CB 3.76Å; H1129-A1131 PolarHBondContact O-N 3.34Å; A1131-V1145 HydrophobicContact CB-CB 3.96Å; A1131-V1145 HydrophobicContact CB-CG2 4.2Å; A1131-A1146 CarbonylContact C-O 3.49Å; A1131-A1146 VanDerWaalsContact CA-O 3.28Å; A1131-A1146 WeakPolarHBondContact CA-O 3.36Å; A1131-I1147 HydrophobicContact CB-CG1 3.89Å |
| 1132 | V | 92.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 135.1 | 171.5 | 65.4 | 0 | 0 | 0 | 0 | 110.1 | Q1084 L1134 V1145 A1146 V1151 C1155 | Q1084-V1132 WeakPolarHBondContact O-CA 3.43Å; V1132-L1134 HydrophobicContact CG1-CD2 4.09Å; V1132-L1134 PolarHBondContact O-N 2.8Å; V1132-V1145 CarbonylContact O-C 3.57Å; V1132-V1145 VanDerWaalsContact O-CA 3.25Å; V1132-V1145 WeakPolarHBondContact O-CA 3.49Å; V1132-A1146 HydrophobicContact CG1-CB 3.88Å; V1132-A1146 PolarHBondContact N-O 3.19Å; V1132-A1146 PolarHBondContact O-N 2.97Å; V1132-V1151 HydrophobicContact CG1-CG1 3.93Å; V1132-C1155 HydrophobicContact CG2-CB 4.03Å |
| 1133 | I | 92.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 117.4 | 177.8 | -56.8 | -176.9 | 0 | 0 | 0 | 109.1 | F1080 G1083 Q1084 V1136 L1143 V1145 | F1080-I1133 HydrophobicContact CB-CD1 3.66Å; F1080-I1133 HydrophobicContact CD1-CD1 3.31Å; F1080-I1133 HydrophobicContact CE1-CD1 4.21Å; F1080-I1133 HydrophobicContact CG-CD1 3.73Å; G1083-I1133 PolarHBondContact N-O 3.46Å; Q1084-I1133 HydrophobicContact CB-CD1 4.2Å; Q1084-I1133 PolarHBondContact O-N 3.14Å; I1133-V1136 HydrophobicContact CG2-CG2 4.07Å; I1133-L1143 HydrophobicContact CD1-CD1 4.18Å; I1133-L1143 HydrophobicContact CD1-CD2 4.42Å; I1133-L1143 HydrophobicContact CG2-CD2 4.26Å; I1133-V1145 HydrophobicContact CG1-CG1 4.18Å |
| 1134 | L | 91.9 | Very high | 88.1 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -36.2 | 177.3 | -61.7 | -176 | 0 | 0 | 0 | 111.8 | H1115 V1132 E1144 A1146 V1178 L1186 M1197 | H1115-L1134 WeakPolarHBondContact CD2-CD1 3.1Å; H1115-L1134 WeakPolarHBondContact NE2-CD1 3.22Å; V1132-L1134 HydrophobicContact CG1-CD2 4.09Å; V1132-L1134 PolarHBondContact O-N 2.8Å; L1134-E1144 PolarHBondContact N-O 2.76Å; L1134-A1146 HydrophobicContact CD1-CB 3.77Å; L1134-A1146 HydrophobicContact CD2-CB 4.38Å; L1134-A1146 HydrophobicContact CG-CB 4.07Å; L1134-V1178 HydrophobicContact CD2-CG2 4.42Å; L1134-L1186 HydrophobicContact CB-CD2 4.44Å; L1134-L1186 HydrophobicContact CD2-CD2 4.12Å; L1134-M1197 HydrophobicContact CD2-SD 4.31Å |
| 1135 | F | 91.8 | Very high | 88.6 | Confident | 19 Ų | 19 | 40.3 Ų | 40.3 | 8% | 0.083 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 151.6 | 179.6 | -167.9 | -109.4 | 0 | 0 | 0 | 111.4 | I1082 D1137 E1144 L1179 | I1082-F1135 HydrophobicContact CD1-CD2 4.46Å; F1135-D1137 HydrophobicContact CD1-CB 4.21Å; F1135-D1137 HydrophobicContact CE1-CB 4.16Å; F1135-E1144 HydrophobicContact CB-CB 4.06Å; F1135-E1144 HydrophobicContact CB-CG 4.46Å; F1135-E1144 PolarHBondContact N-O 2.96Å; F1135-E1144 PolarHBondContact O-N 3.43Å; F1135-L1179 HydrophobicContact CB-CD2 3.67Å; F1135-L1179 HydrophobicContact CD2-CD2 4.19Å; F1135-L1179 HydrophobicContact CG-CD2 4.18Å |
| 1136 | V | 88.5 | Confident | 88.9 | Confident | 8 Ų | 8 | 34.7 Ų | 34.7 | 5% | 0.048 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 109.5 | 174.2 | -175.9 | 0 | 0 | 0 | 0 | 106.9 | L1077 I1133 Y1138 L1143 | L1077-V1136 HydrophobicContact CB-CG1 4.46Å; I1133-V1136 HydrophobicContact CG2-CG2 4.07Å; V1136-Y1138 HydrophobicContact CB-CE2 4.09Å; V1136-Y1138 HydrophobicContact CG1-CD1 4.12Å; V1136-Y1138 HydrophobicContact CG1-CD2 4.31Å; V1136-Y1138 HydrophobicContact CG1-CE1 3.64Å; V1136-Y1138 HydrophobicContact CG1-CE2 3.85Å; V1136-Y1138 HydrophobicContact CG1-CG 4.43Å; V1136-Y1138 VanDerWaalsContact CG1-CZ 3.47Å; V1136-L1143 HydrophobicContact CB-CD2 4.19Å; V1136-L1143 HydrophobicContact CG1-CD2 3.92Å; V1136-L1143 HydrophobicContact CG2-CD2 3.79Å |
| 1137 | D | 87.5 | Confident | 89.2 | Confident | 18 Ų | 18 | 33 Ų | 33 | 10% | 0.096 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 99.5 | 177.1 | -174 | -14.3 | 0 | 0 | 0 | 109.3 | F1135 E1139 N1140 Q1141 V1142 | F1135-D1137 HydrophobicContact CD1-CB 4.21Å; F1135-D1137 HydrophobicContact CE1-CB 4.16Å; D1137-E1139 VanDerWaalsContact C-N 3.32Å; D1137-E1139 PolarHBondContact OD1-N 2.83Å; D1137-N1140 PolarHBondContact OD1-N 3.08Å; D1137-N1140 PolarHBondContact OD2-ND2 3.04Å; D1137-Q1141 CarbonylContact O-C 3.59Å; D1137-Q1141 VanDerWaalsContact O-CA 3.31Å; D1137-Q1141 WeakPolarHBondContact O-CA 3.19Å; D1137-Q1141 PolarHBondContact O-N 3.46Å; D1137-V1142 HydrophobicContact CB-CG1 4.02Å; D1137-V1142 WeakPolarHBondContact CB-O 3.38Å; D1137-V1142 PolarHBondContact N-O 3.22Å; D1137-V1142 PolarHBondContact O-N 3.11Å |
| 1138 | Y | 81.6 | Confident | 89.2 | Confident | 25 Ų | 25 | 36.6 Ų | 36.6 | 10% | 0.098 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -24.6 | -179.9 | -62.9 | -78.8 | 0 | 0 | 0 | 113.1 | I1068 R1069 L1077 V1136 | I1068-Y1138 HydrophobicContact CG2-CD1 4.29Å; I1068-Y1138 HydrophobicContact CG2-CD2 3.77Å; I1068-Y1138 HydrophobicContact CG2-CE2 4.32Å; I1068-Y1138 HydrophobicContact CG2-CG 3.76Å; R1069-Y1138 VanDerWaalsContact CB-OH 3.31Å; R1069-Y1138 WeakPolarHBondContact CB-OH 3.47Å; R1069-Y1138 VanDerWaalsContact CG-OH 3.3Å; R1069-Y1138 WeakPolarHBondContact CG-OH 3.38Å; L1077-Y1138 HydrophobicContact CB-CE1 4.37Å; V1136-Y1138 HydrophobicContact CB-CE2 4.09Å; V1136-Y1138 HydrophobicContact CG1-CD1 4.12Å; V1136-Y1138 HydrophobicContact CG1-CD2 4.31Å; V1136-Y1138 HydrophobicContact CG1-CE1 3.64Å; V1136-Y1138 HydrophobicContact CG1-CE2 3.85Å; V1136-Y1138 HydrophobicContact CG1-CG 4.43Å; V1136-Y1138 VanDerWaalsContact CG1-CZ 3.47Å |
| 1139 | E | 77.2 | Confident | 88.8 | Confident | 110 Ų | 110 | 32.8 Ų | 32.8 | 51% | 0.514 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -49.1 | -179.1 | 167.3 | 176 | -170.5 | 0 | 0 | 111 | Q926 D1137 Q1141 | Q926-E1139 HydrophobicContact CG-CB 3.91Å; Q926-E1139 PolarHBondContact NE2-OE2 2.89Å; D1137-E1139 VanDerWaalsContact C-N 3.32Å; D1137-E1139 PolarHBondContact OD1-N 2.83Å; E1139-Q1141 VanDerWaalsContact C-N 3.25Å; E1139-Q1141 PolarHBondContact O-N 3.19Å |
| 1140 | N | 82.2 | Confident | 88.4 | Confident | 111 Ų | 111 | 37.5 Ų | 37.5 | 59% | 0.594 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 0.7 | 176.1 | -63.6 | -59.9 | 0 | 0 | 0 | 113.2 | D1137 V1142 | D1137-N1140 PolarHBondContact OD1-N 3.08Å; D1137-N1140 PolarHBondContact OD2-ND2 3.04Å; N1140-V1142 VanDerWaalsContact C-N 3.32Å; N1140-V1142 HydrophobicContact CB-CG1 3.94Å; N1140-V1142 PolarHBondContact O-N 3.18Å |
| 1141 | Q | 82.2 | Confident | 88.1 | Confident | 109 Ų | 109 | 35.4 Ų | 35.4 | 51% | 0.509 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 45.5 | -178.7 | -54 | -172.9 | -12.2 | 0 | 0 | 113.3 | I1074 L1077 D1137 E1139 | I1074-Q1141 HydrophobicContact CD1-CG 3.84Å; I1074-Q1141 VanDerWaalsContact CD1-NE2 3.29Å; L1077-Q1141 HydrophobicContact CD1-CB 4.06Å; D1137-Q1141 CarbonylContact O-C 3.59Å; D1137-Q1141 VanDerWaalsContact O-CA 3.31Å; D1137-Q1141 WeakPolarHBondContact O-CA 3.19Å; D1137-Q1141 PolarHBondContact O-N 3.46Å; E1139-Q1141 VanDerWaalsContact C-N 3.25Å; E1139-Q1141 PolarHBondContact O-N 3.19Å |
| 1142 | V | 89 | Confident | 87.9 | Confident | 22 Ų | 22 | 35.6 Ų | 35.6 | 13% | 0.133 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 145.8 | -173 | 73.6 | 0 | 0 | 0 | 0 | 111.8 | R1108 V1110 D1137 N1140 | R1108-V1142 HydrophobicContact CB-CG2 4.14Å; R1108-V1142 CarbonylContact O-C 3.46Å; R1108-V1142 WeakPolarHBondContact O-CA 3.47Å; R1108-V1142 WeakPolarHBondContact O-CG2 3.47Å; V1110-V1142 HydrophobicContact CB-CG2 4.24Å; V1110-V1142 HydrophobicContact CG2-CG2 3.67Å; D1137-V1142 HydrophobicContact CB-CG1 4.02Å; D1137-V1142 WeakPolarHBondContact CB-O 3.38Å; D1137-V1142 PolarHBondContact N-O 3.22Å; D1137-V1142 PolarHBondContact O-N 3.11Å; N1140-V1142 VanDerWaalsContact C-N 3.32Å; N1140-V1142 HydrophobicContact CB-CG1 3.94Å; N1140-V1142 PolarHBondContact O-N 3.18Å |
| 1143 | L | 90.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 127.2 | 174.7 | -62.2 | 169.5 | 0 | 0 | 0 | 110.2 | L1077 F1080 V1102 A1107 R1108 A1109 V1110 I1133 V1136 V1145 | L1077-L1143 HydrophobicContact CD2-CD1 4.47Å; L1077-L1143 HydrophobicContact CD2-CD2 3.8Å; L1077-L1143 HydrophobicContact CD2-CG 3.84Å; F1080-L1143 HydrophobicContact CB-CD1 4.5Å; F1080-L1143 HydrophobicContact CB-CD2 3.94Å; F1080-L1143 HydrophobicContact CD1-CD1 4.3Å; F1080-L1143 HydrophobicContact CD2-CD1 3.72Å; F1080-L1143 HydrophobicContact CD2-CD2 4.27Å; F1080-L1143 HydrophobicContact CE1-CD1 4.49Å; F1080-L1143 HydrophobicContact CE2-CD1 3.93Å; F1080-L1143 HydrophobicContact CG-CD1 3.9Å; F1080-L1143 HydrophobicContact CG-CD2 4.22Å; F1080-L1143 HydrophobicContact CZ-CD1 4.32Å; V1102-L1143 HydrophobicContact CG2-CD1 3.58Å; A1107-L1143 HydrophobicContact CB-CD1 3.97Å; R1108-L1143 PolarHBondContact O-N 2.93Å; A1109-L1143 CarbonylContact C-O 3.59Å; A1109-L1143 WeakPolarHBondContact CA-O 3.27Å; A1109-L1143 HydrophobicContact CB-CB 4.07Å; V1110-L1143 PolarHBondContact N-O 3.17Å; I1133-L1143 HydrophobicContact CD1-CD1 4.18Å; I1133-L1143 HydrophobicContact CD1-CD2 4.42Å; I1133-L1143 HydrophobicContact CG2-CD2 4.26Å; V1136-L1143 HydrophobicContact CB-CD2 4.19Å; V1136-L1143 HydrophobicContact CG1-CD2 3.92Å; V1136-L1143 HydrophobicContact CG2-CD2 3.79Å; L1143-V1145 HydrophobicContact CB-CG1 4.02Å |
| 1144 | E | 92.2 | Very high | 87.2 | Confident | 37 Ų | 37 | 45 Ų | 45 | 17% | 0.173 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 120.1 | 168.1 | -64.2 | -177.4 | 178.9 | 0 | 0 | 109.1 | V1110 L1134 F1135 L1179 K1181 | V1110-E1144 WeakPolarHBondContact O-CA 3.35Å; L1134-E1144 PolarHBondContact N-O 2.76Å; F1135-E1144 HydrophobicContact CB-CB 4.06Å; F1135-E1144 HydrophobicContact CB-CG 4.46Å; F1135-E1144 PolarHBondContact N-O 2.96Å; F1135-E1144 PolarHBondContact O-N 3.43Å; E1144-L1179 WeakPolarHBondContact OE2-CD1 3.33Å; E1144-K1181 IonicContact OE1-NZ 2.97Å; E1144-K1181 PolarHBondContact OE1-NZ 2.73Å; E1144-K1181 WeakPolarHBondContact OE2-CE 3.39Å; E1144-K1181 IonicContact OE2-NZ 3.73Å; E1144-K1181 PolarHBondContact OE2-NZ 3.29Å |
| 1145 | V | 93.5 | Very high | 86.9 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 156.2 | -171.1 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | V1088 A1109 V1110 V1111 A1131 V1132 I1133 L1143 | V1088-V1145 HydrophobicContact CG1-CG2 4.47Å; A1109-V1145 HydrophobicContact CB-CG1 4.05Å; A1109-V1145 HydrophobicContact CB-CG2 3.95Å; V1110-V1145 PolarHBondContact O-N 2.86Å; V1111-V1145 HydrophobicContact CG2-CG2 3.6Å; A1131-V1145 HydrophobicContact CB-CB 3.96Å; A1131-V1145 HydrophobicContact CB-CG2 4.2Å; V1132-V1145 CarbonylContact O-C 3.57Å; V1132-V1145 VanDerWaalsContact O-CA 3.25Å; V1132-V1145 WeakPolarHBondContact O-CA 3.49Å; I1133-V1145 HydrophobicContact CG1-CG1 4.18Å; L1143-V1145 HydrophobicContact CB-CG1 4.02Å |
| 1146 | A | 92.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | H1115 A1131 V1132 L1134 V1152 | H1115-A1146 HydrophobicContact CB-CB 3.59Å; A1131-A1146 CarbonylContact C-O 3.49Å; A1131-A1146 VanDerWaalsContact CA-O 3.28Å; A1131-A1146 WeakPolarHBondContact CA-O 3.36Å; V1132-A1146 HydrophobicContact CG1-CB 3.88Å; V1132-A1146 PolarHBondContact N-O 3.19Å; V1132-A1146 PolarHBondContact O-N 2.97Å; L1134-A1146 HydrophobicContact CD1-CB 3.77Å; L1134-A1146 HydrophobicContact CD2-CB 4.38Å; L1134-A1146 HydrophobicContact CG-CB 4.07Å; A1146-V1152 WeakPolarHBondContact O-CG2 3.13Å |
| 1147 | I | 90.3 | Very high | 86.3 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | trans | -96.5 | -17.1 | -179.2 | -65.1 | 174.3 | 0 | 0 | 0 | 111.8 | V1088 L1098 V1111 H1115 Y1123 H1129 A1131 G1149 | V1088-I1147 HydrophobicContact CG2-CD1 3.76Å; V1088-I1147 HydrophobicContact CG2-CG1 4.06Å; L1098-I1147 HydrophobicContact CD1-CD1 4.35Å; V1111-I1147 HydrophobicContact CB-CD1 4.38Å; V1111-I1147 HydrophobicContact CG1-CD1 4.33Å; V1111-I1147 HydrophobicContact CG1-CG1 4.33Å; V1111-I1147 HydrophobicContact CG2-CD1 3.33Å; V1111-I1147 HydrophobicContact CG2-CG1 3.79Å; H1115-I1147 PolarHBondContact O-N 3.41Å; Y1123-I1147 HydrophobicContact CE1-CG2 4.38Å; H1129-I1147 HydrophobicContact CB-CD1 4.23Å; H1129-I1147 HydrophobicContact CB-CG1 4.4Å; H1129-I1147 HydrophobicContact CB-CG2 3.6Å; A1131-I1147 HydrophobicContact CB-CG1 3.89Å; I1147-G1149 PolarHBondContact O-N 3.38Å | ||
| 1148 | R | 88.6 | Confident | 85.9 | Confident | 105 Ų | 105 | 57 Ų | 57 | 40% | 0.396 | 25% | 0.254 | S | S | . | . | trans | -51.2 | 113.5 | -176.7 | -164.1 | 172.5 | -172.6 | -179.7 | 4.2 | 112.1 | H1115 K1150 V1151 V1152 | H1115-R1148 PolarHBondContact O-N 3.28Å; R1148-K1150 PolarHBondContact O-N 3.29Å; R1148-V1151 HydrophobicContact CB-CG2 4.32Å; R1148-V1151 PolarHBondContact O-N 3.33Å; R1148-V1152 PolarHBondContact O-N 2.79Å | ||
| 1149 | G | 83.6 | Confident | 85.6 | Confident | 10 Ų | 10 | 60.1 Ų | 60.1 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.7 | -31.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1117 I1147 V1151 R1153 | E1117-G1149 WeakPolarHBondContact OE2-CA 3.17Å; E1117-G1149 PolarHBondContact OE2-N 3.28Å; I1147-G1149 PolarHBondContact O-N 3.38Å; G1149-V1151 PolarHBondContact O-N 3.28Å; G1149-R1153 VanDerWaalsContact O-CB 3.31Å; G1149-R1153 WeakPolarHBondContact O-CB 3.49Å; G1149-R1153 WeakPolarHBondContact O-CG 3.47Å; G1149-R1153 PolarHBondContact O-N 2.96Å; G1149-R1153 PolarHBondContact O-NE 3.35Å |
| 1150 | K | 83 | Confident | 85.4 | Confident | 146 Ų | 146 | 58.9 Ų | 58.9 | 64% | 0.635 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.9 | -37.7 | 173.7 | -74.2 | -174.6 | -178.2 | 176.9 | 0 | 113.5 | R1148 K1154 | R1148-K1150 PolarHBondContact O-N 3.29Å; K1150-K1154 WeakPolarHBondContact O-CD 3.37Å; K1150-K1154 WeakPolarHBondContact O-CG 3.45Å; K1150-K1154 PolarHBondContact O-N 3.48Å |
| 1151 | V | 87.6 | Confident | 85.2 | Confident | 13 Ų | 13 | 59.6 Ų | 59.6 | 8% | 0.079 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -76.7 | -48.3 | -179.4 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | V1132 R1148 G1149 R1153 K1154 C1155 L1188 | V1132-V1151 HydrophobicContact CG1-CG1 3.93Å; R1148-V1151 HydrophobicContact CB-CG2 4.32Å; R1148-V1151 PolarHBondContact O-N 3.33Å; G1149-V1151 PolarHBondContact O-N 3.28Å; V1151-R1153 PolarHBondContact O-N 2.88Å; V1151-K1154 WeakPolarHBondContact O-CB 3.24Å; V1151-K1154 PolarHBondContact O-N 2.65Å; V1151-K1154 VanDerWaalsContact O-N 3.09Å; V1151-C1155 PolarHBondContact O-N 3.39Å; V1151-C1155 PolarHBondContact O-SG 2.82Å; V1151-C1155 VanDerWaalsContact O-SG 3.41Å; V1151-L1188 HydrophobicContact CG1-CD2 4.42Å |
| 1152 | V | 87.8 | Confident | 84.8 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.024 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.5 | -49.1 | 178.9 | 179 | 0 | 0 | 0 | 0 | 111.4 | P1130 A1146 R1148 K1154 C1155 Q1156 | P1130-V1152 HydrophobicContact CB-CG1 3.99Å; P1130-V1152 HydrophobicContact CG-CG1 4.25Å; P1130-V1152 WeakPolarHBondContact O-CG2 3.49Å; A1146-V1152 WeakPolarHBondContact O-CG2 3.13Å; R1148-V1152 PolarHBondContact O-N 2.79Å; V1152-K1154 VanDerWaalsContact C-N 3.29Å; V1152-K1154 PolarHBondContact O-N 2.97Å; V1152-C1155 PolarHBondContact O-N 3.03Å; V1152-Q1156 HydrophobicContact CG1-CG 4.38Å; V1152-Q1156 WeakPolarHBondContact O-CB 3.42Å; V1152-Q1156 WeakPolarHBondContact O-CG 3.41Å; V1152-Q1156 PolarHBondContact O-N 2.84Å |
| 1153 | R | 84.9 | Confident | 84.1 | Confident | 144 Ų | 144 | 58.6 Ų | 58.6 | 54% | 0.543 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.6 | -35.3 | 177.6 | -72.5 | 178.8 | -133.5 | 172.7 | 3.2 | 113 | G1149 V1151 R1157 | G1149-R1153 VanDerWaalsContact O-CB 3.31Å; G1149-R1153 WeakPolarHBondContact O-CB 3.49Å; G1149-R1153 WeakPolarHBondContact O-CG 3.47Å; G1149-R1153 PolarHBondContact O-N 2.96Å; G1149-R1153 PolarHBondContact O-NE 3.35Å; V1151-R1153 PolarHBondContact O-N 2.88Å; R1153-R1157 WeakPolarHBondContact O-CG 3.43Å; R1153-R1157 PolarHBondContact O-N 3.24Å |
| 1154 | K | 85 | Confident | 83.3 | Confident | 54 Ų | 54 | 62 Ų | 62 | 24% | 0.235 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.5 | -49.8 | 176.8 | -78.4 | 174.9 | 178.1 | -176 | 0 | 110.1 | K1150 V1151 V1152 Q1156 R1157 L1188 S1194 G1195 | K1150-K1154 WeakPolarHBondContact O-CD 3.37Å; K1150-K1154 WeakPolarHBondContact O-CG 3.45Å; K1150-K1154 PolarHBondContact O-N 3.48Å; V1151-K1154 WeakPolarHBondContact O-CB 3.24Å; V1151-K1154 PolarHBondContact O-N 2.65Å; V1151-K1154 VanDerWaalsContact O-N 3.09Å; V1152-K1154 VanDerWaalsContact C-N 3.29Å; V1152-K1154 PolarHBondContact O-N 2.97Å; K1154-Q1156 VanDerWaalsContact C-N 3.33Å; K1154-Q1156 PolarHBondContact O-N 3.39Å; K1154-R1157 PolarHBondContact O-N 2.9Å; K1154-L1188 HydrophobicContact CB-CD2 4.2Å; K1154-L1188 HydrophobicContact CD-CD2 3.68Å; K1154-S1194 WeakPolarHBondContact CD-OG 3.26Å; K1154-S1194 WeakPolarHBondContact CE-OG 3.22Å; K1154-G1195 WeakPolarHBondContact O-CA 3.47Å |
| 1155 | C | 85.9 | Confident | 82.6 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 5% | 0.054 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 178.3 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | I1085 V1132 V1151 V1152 R1157 M1158 S1159 | I1085-C1155 HydrophobicContact CD1-CB 4.36Å; V1132-C1155 HydrophobicContact CG2-CB 4.03Å; V1151-C1155 PolarHBondContact O-N 3.39Å; V1151-C1155 PolarHBondContact O-SG 2.82Å; V1151-C1155 VanDerWaalsContact O-SG 3.41Å; V1152-C1155 PolarHBondContact O-N 3.03Å; C1155-R1157 VanDerWaalsContact C-N 3.31Å; C1155-R1157 PolarHBondContact O-N 2.86Å; C1155-M1158 PolarHBondContact O-N 2.71Å; C1155-S1159 PolarHBondContact O-N 2.82Å; C1155-S1159 VanDerWaalsContact O-N 3.07Å |
| 1156 | Q | 84.3 | Confident | 81.9 | Confident | 90 Ų | 90 | 68.2 Ų | 68.2 | 42% | 0.421 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.3 | -41.1 | 176.2 | -83.2 | 174.3 | -17.2 | 0 | 0 | 112.6 | I1085 V1152 K1154 M1158 S1159 | I1085-Q1156 HydrophobicContact CD1-CB 4.1Å; I1085-Q1156 HydrophobicContact CD1-CG 3.47Å; I1085-Q1156 VanDerWaalsContact CD1-CG 3.47Å; I1085-Q1156 HydrophobicContact CG1-CG 4.19Å; I1085-Q1156 HydrophobicContact CG2-CG 4.43Å; V1152-Q1156 HydrophobicContact CG1-CG 4.38Å; V1152-Q1156 WeakPolarHBondContact O-CB 3.42Å; V1152-Q1156 WeakPolarHBondContact O-CG 3.41Å; V1152-Q1156 PolarHBondContact O-N 2.84Å; K1154-Q1156 VanDerWaalsContact C-N 3.33Å; K1154-Q1156 PolarHBondContact O-N 3.39Å; Q1156-M1158 PolarHBondContact O-N 3.21Å; Q1156-S1159 PolarHBondContact O-N 3.33Å |
| 1157 | R | 82.4 | Confident | 81.6 | Confident | 175 Ų | 175 | 68.2 Ų | 68.2 | 66% | 0.66 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -16.5 | 177.8 | -71.7 | 171 | -176.7 | -175.6 | -0.7 | 114.2 | R1153 K1154 C1155 K1161 | R1153-R1157 WeakPolarHBondContact O-CG 3.43Å; R1153-R1157 PolarHBondContact O-N 3.24Å; K1154-R1157 PolarHBondContact O-N 2.9Å; C1155-R1157 VanDerWaalsContact C-N 3.31Å; C1155-R1157 PolarHBondContact O-N 2.86Å; R1157-K1161 PolarHBondContact O-NZ 2.75Å |
| 1158 | M | 80.4 | Confident | 81.3 | Confident | 25 Ų | 25 | 77.5 Ų | 77.5 | 12% | 0.123 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -12.3 | -176.6 | -57.4 | -50.4 | -64.6 | 0 | 0 | 112.9 | C1155 Q1156 G1160 K1161 I1166 G1195 L1196 | C1155-M1158 PolarHBondContact O-N 2.71Å; Q1156-M1158 PolarHBondContact O-N 3.21Å; M1158-G1160 PolarHBondContact O-N 3.2Å; M1158-K1161 HydrophobicContact CE-CD 4.32Å; M1158-K1161 PolarHBondContact O-N 3.39Å; M1158-K1161 VanDerWaalsContact O-N 3.13Å; M1158-K1161 HydrophobicContact SD-CD 4.46Å; M1158-I1166 HydrophobicContact CE-CD1 3.12Å; M1158-I1166 HydrophobicContact CE-CG1 3.86Å; M1158-I1166 HydrophobicContact CE-CG2 4.1Å; M1158-G1195 VanDerWaalsContact CG-C 3.49Å; M1158-L1196 HydrophobicContact CE-CB 4.3Å |
| 1159 | S | 74.2 | Confident | 81 | Confident | 91 Ų | 91 | 77.5 Ų | 77.5 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 126.2 | 175 | -169.2 | 0 | 0 | 0 | 0 | 110.5 | C1155 Q1156 | C1155-S1159 PolarHBondContact O-N 2.82Å; C1155-S1159 VanDerWaalsContact O-N 3.07Å; Q1156-S1159 PolarHBondContact O-N 3.33Å |
| 1160 | G | 72.9 | Confident | 81 | Confident | 84 Ų | 84 | 81.3 Ų | 81.3 | 87% | 0.866 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | -3.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | M1158 | M1158-G1160 PolarHBondContact O-N 3.2Š|
| 1161 | K | 78.2 | Confident | 81.1 | Confident | 126 Ų | 126 | 77.5 Ų | 77.5 | 55% | 0.548 | 40% | 0.395 | S | S | . | . | trans | -94.8 | 135.7 | 177.4 | -65.6 | 177.9 | 179.6 | 159.5 | 0 | 111.5 | R1157 M1158 I1166 | R1157-K1161 PolarHBondContact O-NZ 2.75Å; M1158-K1161 HydrophobicContact CE-CD 4.32Å; M1158-K1161 PolarHBondContact O-N 3.39Å; M1158-K1161 VanDerWaalsContact O-N 3.13Å; M1158-K1161 HydrophobicContact SD-CD 4.46Å; K1161-I1166 HydrophobicContact CB-CD1 3.95Å | ||
| 1162 | L | 73.7 | Confident | 81.2 | Confident | 98 Ų | 98 | 81.9 Ų | 81.9 | 51% | 0.513 | 42% | 0.415 | S | S | . | . | trans | -73.2 | 130.8 | 175.9 | -72.3 | 162.1 | 0 | 0 | 0 | 110.6 | A1164 D1165 I1166 | L1162-A1164 PolarHBondContact O-N 3.42Å; L1162-D1165 PolarHBondContact O-N 2.65Å; L1162-D1165 VanDerWaalsContact O-N 3.14Å; L1162-I1166 WeakPolarHBondContact O-CD1 3.29Å | ||
| 1163 | A | 75.9 | Confident | 81.1 | Confident | 12 Ų | 12 | 82.5 Ų | 82.5 | 10% | 0.099 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -56.1 | -36.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1165 I1166 V1167 L1196 L1229 V1234 | A1163-D1165 PolarHBondContact O-N 3.09Å; A1163-I1166 PolarHBondContact O-N 2.95Å; A1163-I1166 VanDerWaalsContact O-N 3.09Å; A1163-V1167 WeakPolarHBondContact O-CG2 3.48Å; A1163-V1167 PolarHBondContact O-N 3.15Å; A1163-V1167 VanDerWaalsContact O-N 3.12Å; A1163-L1196 HydrophobicContact CB-CD1 4.09Å; A1163-L1196 HydrophobicContact CB-CD2 4.32Å; A1163-L1229 HydrophobicContact CB-CD2 4.31Å; A1163-V1234 HydrophobicContact CB-CG2 3.59Å |
| 1164 | A | 73.3 | Confident | 81.4 | Confident | 70 Ų | 70 | 79.5 Ų | 79.5 | 58% | 0.579 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.6 | -25.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1162 I1166 | L1162-A1164 PolarHBondContact O-N 3.42Å; A1164-I1166 VanDerWaalsContact C-N 3.33Å |
| 1165 | D | 77.3 | Confident | 81.6 | Confident | 133 Ų | 133 | 76.9 Ų | 76.9 | 71% | 0.711 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -80.2 | -19.3 | 178.2 | -62 | -24.9 | 0 | 0 | 0 | 112.2 | L1162 A1163 | L1162-D1165 PolarHBondContact O-N 2.65Å; L1162-D1165 VanDerWaalsContact O-N 3.14Å; A1163-D1165 PolarHBondContact O-N 3.09Å |
| 1166 | I | 79 | Confident | 81.8 | Confident | 37 Ų | 37 | 78.9 Ų | 78.9 | 19% | 0.19 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -100.7 | -40.1 | -170.2 | -58.9 | 151.2 | 0 | 0 | 0 | 111.2 | M1158 K1161 L1162 A1163 A1164 G1193 L1196 | M1158-I1166 HydrophobicContact CE-CD1 3.12Å; M1158-I1166 HydrophobicContact CE-CG1 3.86Å; M1158-I1166 HydrophobicContact CE-CG2 4.1Å; K1161-I1166 HydrophobicContact CB-CD1 3.95Å; L1162-I1166 WeakPolarHBondContact O-CD1 3.29Å; A1163-I1166 PolarHBondContact O-N 2.95Å; A1163-I1166 VanDerWaalsContact O-N 3.09Å; A1164-I1166 VanDerWaalsContact C-N 3.33Å; I1166-G1193 VanDerWaalsContact CG2-CA 3.48Å; I1166-L1196 HydrophobicContact CB-CD2 4.37Å; I1166-L1196 HydrophobicContact CD1-CD2 4.43Å; I1166-L1196 HydrophobicContact CG2-CD2 4.23Å |
| 1167 | V | 85.4 | Confident | 82.2 | Confident | 1 Ų | 1 | 74.7 Ų | 74.7 | 1% | 0.006 | 39% | 0.39 | C | S | . | . | trans | -130.6 | 143.3 | -174.2 | -80 | 0 | 0 | 0 | 0 | 111.4 | A1163 L1173 I1189 L1196 V1226 L1229 V1234 | A1163-V1167 WeakPolarHBondContact O-CG2 3.48Å; A1163-V1167 PolarHBondContact O-N 3.15Å; A1163-V1167 VanDerWaalsContact O-N 3.12Å; V1167-L1173 HydrophobicContact CB-CD1 4.41Å; V1167-L1173 HydrophobicContact CG1-CD1 3.39Å; V1167-L1173 HydrophobicContact CG1-CD2 4.39Å; V1167-L1173 HydrophobicContact CG1-CG 4.5Å; V1167-I1189 HydrophobicContact CG1-CD1 4.02Å; V1167-L1196 HydrophobicContact CG1-CD2 4.26Å; V1167-L1196 HydrophobicContact CG2-CD2 3.54Å; V1167-V1226 HydrophobicContact CB-CG2 4.27Å; V1167-L1229 HydrophobicContact CG2-CD2 4.12Å; V1167-V1234 HydrophobicContact CG2-CG1 4.37Å; V1167-V1234 HydrophobicContact CG2-CG2 4.35Å | ||
| 1168 | R | 83 | Confident | 82.6 | Confident | 202 Ų | 202 | 66.6 Ų | 66.6 | 76% | 0.762 | 36% | 0.36 | S | S | * | . | trans | -107.5 | 152.7 | 178.1 | -61.9 | -178.8 | -178.1 | 176.3 | 0.1 | 110.8 | K1170 Q1171 | R1168-K1170 PolarHBondContact O-N 2.86Å; R1168-Q1171 WeakPolarHBondContact O-CB 3.4Å; R1168-Q1171 PolarHBondContact O-N 2.98Å | ||
| 1169 | L | 84.3 | Confident | 83.1 | Confident | 105 Ų | 105 | 65.6 Ų | 65.6 | 55% | 0.55 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 138.3 | 172.3 | -77.5 | 163.7 | 0 | 0 | 0 | 111 | Q1171 E1227 L1229 | L1169-Q1171 PolarHBondContact O-N 2.93Å; L1169-Q1171 VanDerWaalsContact O-N 3.13Å; L1169-E1227 WeakPolarHBondContact CD2-O 3.37Å; L1169-L1229 HydrophobicContact CD2-CD1 4.37Å; L1169-L1229 HydrophobicContact CG-CD1 4.07Å |
| 1170 | K | 83 | Confident | 83.9 | Confident | 90 Ų | 90 | 63.5 Ų | 63.5 | 39% | 0.391 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 7.3 | 180 | -52.1 | -66.2 | 171.8 | 172.7 | 0 | 115.7 | R1168 Y1225 V1226 E1227 | R1168-K1170 PolarHBondContact O-N 2.86Å; K1170-Y1225 HydrophobicContact CD-CD2 4.36Å; K1170-Y1225 HydrophobicContact CD-CE2 4.37Å; K1170-V1226 WeakPolarHBondContact CA-O 3.03Å; K1170-V1226 PolarHBondContact N-O 2.89Å; K1170-E1227 IonicContact NZ-OE1 2.69Å; K1170-E1227 PolarHBondContact NZ-OE1 2.95Å; K1170-E1227 IonicContact NZ-OE2 3.04Å; K1170-E1227 PolarHBondContact NZ-OE2 2.85Å |
| 1171 | Q | 85.6 | Confident | 84.6 | Confident | 66 Ų | 66 | 62.1 Ų | 62.1 | 31% | 0.308 | 31% | 0.307 | S | S | . | . | trans | -65.6 | 134.4 | 172.6 | -175.1 | 177.5 | -2.1 | 0 | 0 | 110.9 | R1168 L1169 L1173 Y1225 V1226 | R1168-Q1171 WeakPolarHBondContact O-CB 3.4Å; R1168-Q1171 PolarHBondContact O-N 2.98Å; L1169-Q1171 PolarHBondContact O-N 2.93Å; L1169-Q1171 VanDerWaalsContact O-N 3.13Å; Q1171-L1173 HydrophobicContact CG-CD2 4.02Å; Q1171-L1173 HydrophobicContact CG-CG 4.19Å; Q1171-Y1225 VanDerWaalsContact O-CA 3.25Å; Q1171-Y1225 WeakPolarHBondContact O-CA 3.36Å; Q1171-V1226 PolarHBondContact O-N 2.92Å | ||
| 1172 | E | 88.2 | Confident | 84.8 | Confident | 104 Ų | 104 | 58.8 Ų | 58.8 | 49% | 0.486 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 134 | 173.8 | -64.4 | -173.8 | -176.4 | 0 | 0 | 110.9 | V1224 V1239 | E1172-V1224 CarbonylContact C-O 3.56Å; E1172-V1224 WeakPolarHBondContact CA-O 3.42Å; E1172-V1239 HydrophobicContact CG-CG2 4.01Å |
| 1173 | L | 87.3 | Confident | 85.5 | Confident | 17 Ų | 17 | 54.6 Ų | 54.6 | 9% | 0.089 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 149.3 | -172.5 | -61 | 165.4 | 0 | 0 | 0 | 109.3 | V1167 Q1171 I1189 K1223 V1224 V1226 | V1167-L1173 HydrophobicContact CB-CD1 4.41Å; V1167-L1173 HydrophobicContact CG1-CD1 3.39Å; V1167-L1173 HydrophobicContact CG1-CD2 4.39Å; V1167-L1173 HydrophobicContact CG1-CG 4.5Å; Q1171-L1173 HydrophobicContact CG-CD2 4.02Å; Q1171-L1173 HydrophobicContact CG-CG 4.19Å; L1173-I1189 HydrophobicContact CB-CG2 4.48Å; L1173-I1189 HydrophobicContact CD1-CD1 3.63Å; L1173-I1189 HydrophobicContact CD1-CG1 4.09Å; L1173-I1189 HydrophobicContact CD1-CG2 4.5Å; L1173-K1223 WeakPolarHBondContact O-CA 3.47Å; L1173-V1224 HydrophobicContact CB-CG2 4.35Å; L1173-V1224 PolarHBondContact N-O 3.01Å; L1173-V1224 PolarHBondContact O-N 3.35Å; L1173-V1224 VanDerWaalsContact O-O 3.12Å; L1173-V1226 HydrophobicContact CD1-CG2 3.83Å |
| 1174 | N | 89.7 | Confident | 86.2 | Confident | 81 Ų | 81 | 54 Ų | 54 | 43% | 0.433 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 129.3 | 165.6 | -65.6 | -38.2 | 0 | 0 | 0 | 107.9 | S1190 L1222 K1223 | N1174-S1190 WeakPolarHBondContact CB-OG 3.5Å; N1174-S1190 PolarHBondContact O-N 3.06Å; N1174-S1190 PolarHBondContact O-OG 2.88Å; N1174-L1222 CarbonylContact C-O 3.49Å; N1174-L1222 WeakPolarHBondContact CA-O 3.36Å; N1174-K1223 WeakPolarHBondContact OD1-CG 3.48Å |
| 1175 | A | 89.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 152.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1187 L1188 T1221 L1222 V1224 | A1175-V1187 HydrophobicContact CB-CB 4Å; A1175-V1187 HydrophobicContact CB-CG2 3.89Å; A1175-L1188 CarbonylContact C-O 3.55Å; A1175-L1188 VanDerWaalsContact CA-O 3.26Å; A1175-L1188 WeakPolarHBondContact CA-O 3.13Å; A1175-T1221 CarbonylContact O-C 3.39Å; A1175-T1221 VanDerWaalsContact O-CA 3.3Å; A1175-T1221 WeakPolarHBondContact O-CA 3.25Å; A1175-L1222 PolarHBondContact N-O 3.16Å; A1175-L1222 PolarHBondContact O-N 3.23Å; A1175-V1224 HydrophobicContact CB-CG1 4.14Å; A1175-V1224 HydrophobicContact CB-CG2 3.58Å |
| 1176 | Q | 90 | Very high | 87.8 | Confident | 50 Ų | 50 | 44.4 Ų | 44.4 | 23% | 0.234 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 128.9 | 176.5 | -173.3 | 173.9 | 20.8 | 0 | 0 | 109.4 | V1178 V1187 L1188 G1219 Q1220 T1221 | Q1176-V1178 PolarHBondContact O-N 2.87Å; Q1176-V1187 CarbonylContact O-C 3.58Å; Q1176-V1187 VanDerWaalsContact O-CA 3.29Å; Q1176-V1187 WeakPolarHBondContact O-CA 2.92Å; Q1176-L1188 PolarHBondContact N-O 2.9Å; Q1176-L1188 PolarHBondContact O-N 2.88Å; Q1176-G1219 WeakPolarHBondContact CG-O 3.23Å; Q1176-G1219 PolarHBondContact NE2-O 3.39Å; Q1176-Q1220 CarbonylContact C-O 3.59Å; Q1176-Q1220 WeakPolarHBondContact CA-O 3.45Å; Q1176-T1221 HydrophobicContact CB-CG2 4.14Å; Q1176-T1221 HydrophobicContact CG-CG2 4.37Å |
| 1177 | V | 92.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 129.7 | 175.2 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | I1180 I1185 V1187 G1219 Q1220 L1222 | V1177-I1180 HydrophobicContact CG1-CD1 3.99Å; V1177-I1180 HydrophobicContact CG1-CG1 3.69Å; V1177-I1185 HydrophobicContact CG1-CG2 3.83Å; V1177-V1187 HydrophobicContact CG2-CG1 4.16Å; V1177-G1219 WeakPolarHBondContact O-CA 3.38Å; V1177-G1219 PolarHBondContact O-N 2.89Å; V1177-Q1220 HydrophobicContact CG2-CB 4.44Å; V1177-Q1220 PolarHBondContact N-O 3.25Å; V1177-L1222 HydrophobicContact CG2-CD1 3.42Å; V1177-L1222 VanDerWaalsContact CG2-CD1 3.42Å; V1177-L1222 HydrophobicContact CG2-CG 4.2Å |
| 1178 | V | 90.8 | Very high | 88.7 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | -28.3 | 178.7 | -68.1 | 0 | 0 | 0 | 0 | 112.6 | H1115 L1134 Q1176 L1186 L1188 | H1115-V1178 PolarHBondContact CE1-O 3.31Å; H1115-V1178 PolarHBondContact NE2-O 2.82Å; L1134-V1178 HydrophobicContact CD2-CG2 4.42Å; Q1176-V1178 PolarHBondContact O-N 2.87Å; V1178-L1186 HydrophobicContact CG2-CB 3.93Å; V1178-L1186 HydrophobicContact CG2-CD2 3.75Å; V1178-L1186 HydrophobicContact CG2-CG 4.01Å; V1178-L1186 VanDerWaalsContact CG2-O 3.28Å; V1178-L1186 WeakPolarHBondContact CG2-O 3.18Å; V1178-L1186 PolarHBondContact N-O 2.92Å; V1178-L1188 HydrophobicContact CG1-CB 3.99Å |
| 1179 | L | 92.1 | Very high | 89 | Confident | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 142.3 | 177.1 | -175.5 | 74.6 | 0 | 0 | 0 | 110.3 | F1135 E1144 K1181 I1185 L1186 | F1135-L1179 HydrophobicContact CB-CD2 3.67Å; F1135-L1179 HydrophobicContact CD2-CD2 4.19Å; F1135-L1179 HydrophobicContact CG-CD2 4.18Å; E1144-L1179 WeakPolarHBondContact OE2-CD1 3.33Å; L1179-K1181 HydrophobicContact CD2-CG 3.96Å; L1179-K1181 HydrophobicContact CG-CG 4.16Å; L1179-I1185 CarbonylContact O-C 3.59Å; L1179-I1185 WeakPolarHBondContact O-CA 3.33Å; L1179-I1185 WeakPolarHBondContact O-CG2 3.42Å; L1179-L1186 HydrophobicContact CB-CB 3.69Å; L1179-L1186 HydrophobicContact CB-CD2 4.44Å; L1179-L1186 PolarHBondContact N-O 2.93Å; L1179-L1186 PolarHBondContact O-N 2.84Å |
| 1180 | I | 89.9 | Confident | 88.8 | Confident | 47 Ų | 47 | 29.7 Ų | 29.7 | 24% | 0.241 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 120.3 | 174.2 | -58.4 | 171.1 | 0 | 0 | 0 | 107.8 | V1177 I1185 A1213 Y1216 I1218 | V1177-I1180 HydrophobicContact CG1-CD1 3.99Å; V1177-I1180 HydrophobicContact CG1-CG1 3.69Å; I1180-I1185 HydrophobicContact CG1-CG1 4.44Å; I1180-I1185 HydrophobicContact CG1-CG2 4.19Å; I1180-I1185 HydrophobicContact CG2-CG1 4.19Å; I1180-A1213 HydrophobicContact CG2-CB 4.18Å; I1180-Y1216 VanDerWaalsContact CD1-O 3.22Å; I1180-Y1216 WeakPolarHBondContact CD1-O 3.5Å; I1180-I1218 HydrophobicContact CD1-CG1 4.38Å; I1180-I1218 HydrophobicContact CG1-CG1 4.45Å |
| 1181 | K | 88.5 | Confident | 88.4 | Confident | 55 Ų | 55 | 28.1 Ų | 28.1 | 24% | 0.239 | 16% | 0.161 | C | C | . | . | trans | -125.4 | 167.5 | 173.6 | -64.8 | -66 | -172.5 | 180 | 0 | 109.7 | E1144 L1179 N1183 L1184 A1202 | E1144-K1181 IonicContact OE1-NZ 2.97Å; E1144-K1181 PolarHBondContact OE1-NZ 2.73Å; E1144-K1181 WeakPolarHBondContact OE2-CE 3.39Å; E1144-K1181 IonicContact OE2-NZ 3.73Å; E1144-K1181 PolarHBondContact OE2-NZ 3.29Å; L1179-K1181 HydrophobicContact CD2-CG 3.96Å; L1179-K1181 HydrophobicContact CG-CG 4.16Å; K1181-N1183 VanDerWaalsContact C-N 3.27Å; K1181-N1183 PolarHBondContact O-N 2.73Å; K1181-L1184 CarbonylContact C-O 3.55Å; K1181-L1184 WeakPolarHBondContact CA-O 3.46Å; K1181-L1184 WeakPolarHBondContact CB-O 3.28Å; K1181-L1184 PolarHBondContact N-O 2.83Å; K1181-L1184 PolarHBondContact O-N 3.43Å; K1181-L1184 VanDerWaalsContact O-O 3.09Å; K1181-A1202 VanDerWaalsContact O-CB 3.3Å; K1181-A1202 WeakPolarHBondContact O-CB 3.35Å | ||
| 1182 | S | 82.7 | Confident | 87.4 | Confident | 55 Ų | 55 | 33.4 Ų | 33.4 | 39% | 0.385 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -58.7 | -31.4 | -173.6 | -48.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1183 | N | 86.7 | Confident | 86.3 | Confident | 11 Ų | 11 | 29.1 Ų | 29.1 | 6% | 0.059 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -116.7 | -8.4 | 179.9 | -66.1 | -51.5 | 0 | 0 | 0 | 114.1 | Y1061 K1181 A1202 R1203 | Y1061-N1183 HydrophobicContact CD1-CB 3.76Å; Y1061-N1183 HydrophobicContact CD2-CB 3.87Å; Y1061-N1183 HydrophobicContact CE1-CB 3.96Å; Y1061-N1183 HydrophobicContact CE2-CB 4.08Å; Y1061-N1183 HydrophobicContact CG-CB 3.71Å; K1181-N1183 VanDerWaalsContact C-N 3.27Å; K1181-N1183 PolarHBondContact O-N 2.73Å; N1183-A1202 VanDerWaalsContact C-CB 3.43Å; N1183-R1203 VanDerWaalsContact OD1-CD 3.27Å; N1183-R1203 WeakPolarHBondContact OD1-CD 3.39Å |
| 1184 | L | 90.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 135.1 | -170.9 | 159.5 | 65.9 | 0 | 0 | 0 | 111 | L1058 Y1061 K1181 Y1199 | L1058-L1184 HydrophobicContact CD1-CB 4.33Å; L1058-L1184 HydrophobicContact CD1-CD1 4.11Å; Y1061-L1184 HydrophobicContact CD1-CB 4.24Å; Y1061-L1184 HydrophobicContact CE1-CB 3.81Å; Y1061-L1184 HydrophobicContact CE1-CD2 4.38Å; K1181-L1184 CarbonylContact C-O 3.55Å; K1181-L1184 WeakPolarHBondContact CA-O 3.46Å; K1181-L1184 WeakPolarHBondContact CB-O 3.28Å; K1181-L1184 PolarHBondContact N-O 2.83Å; K1181-L1184 PolarHBondContact O-N 3.43Å; K1181-L1184 VanDerWaalsContact O-O 3.09Å; L1184-Y1199 HydrophobicContact CD1-CD1 3.56Å; L1184-Y1199 HydrophobicContact CD1-CG 4.21Å; L1184-Y1199 HydrophobicContact CD2-CD1 4.22Å |
| 1185 | I | 92.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 129.6 | 164.3 | -59.8 | 169.8 | 0 | 0 | 0 | 108.4 | V1177 L1179 I1180 V1187 M1200 A1202 Y1216 | V1177-I1185 HydrophobicContact CG1-CG2 3.83Å; L1179-I1185 CarbonylContact O-C 3.59Å; L1179-I1185 WeakPolarHBondContact O-CA 3.33Å; L1179-I1185 WeakPolarHBondContact O-CG2 3.42Å; I1180-I1185 HydrophobicContact CG1-CG1 4.44Å; I1180-I1185 HydrophobicContact CG1-CG2 4.19Å; I1180-I1185 HydrophobicContact CG2-CG1 4.19Å; I1185-V1187 HydrophobicContact CG2-CG1 4.11Å; I1185-M1200 HydrophobicContact CB-CB 4.15Å; I1185-M1200 HydrophobicContact CB-CE 3.93Å; I1185-M1200 HydrophobicContact CD1-CE 3.6Å; I1185-M1200 HydrophobicContact CG1-CE 4.37Å; I1185-M1200 HydrophobicContact CG2-CE 3.7Å; I1185-M1200 PolarHBondContact N-O 2.83Å; I1185-M1200 WeakPolarHBondContact O-CB 3.45Å; I1185-M1200 PolarHBondContact O-N 3.02Å; I1185-A1202 HydrophobicContact CD1-CB 4.31Å; I1185-A1202 HydrophobicContact CG1-CB 3.95Å; I1185-Y1216 HydrophobicContact CD1-CD2 3.47Å; I1185-Y1216 VanDerWaalsContact CD1-CD2 3.47Å; I1185-Y1216 HydrophobicContact CD1-CE2 3.97Å; I1185-Y1216 HydrophobicContact CD1-CG 4.22Å |
| 1186 | L | 92.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131.6 | 176.9 | -156 | 83.2 | 0 | 0 | 0 | 109.3 | I1082 L1134 V1178 L1179 M1197 Y1199 | I1082-L1186 HydrophobicContact CG2-CD1 3.77Å; I1082-L1186 HydrophobicContact CG2-CD2 4.16Å; L1134-L1186 HydrophobicContact CB-CD2 4.44Å; L1134-L1186 HydrophobicContact CD2-CD2 4.12Å; V1178-L1186 HydrophobicContact CG2-CB 3.93Å; V1178-L1186 HydrophobicContact CG2-CD2 3.75Å; V1178-L1186 HydrophobicContact CG2-CG 4.01Å; V1178-L1186 VanDerWaalsContact CG2-O 3.28Å; V1178-L1186 WeakPolarHBondContact CG2-O 3.18Å; V1178-L1186 PolarHBondContact N-O 2.92Å; L1179-L1186 HydrophobicContact CB-CB 3.69Å; L1179-L1186 HydrophobicContact CB-CD2 4.44Å; L1179-L1186 PolarHBondContact N-O 2.93Å; L1179-L1186 PolarHBondContact O-N 2.84Å; L1186-M1197 HydrophobicContact CD1-CE 4.43Å; L1186-M1197 HydrophobicContact CD1-CG 4.4Å; L1186-M1197 HydrophobicContact CD2-CE 3.67Å; L1186-M1197 HydrophobicContact CD2-CG 3.82Å; L1186-M1197 HydrophobicContact CD2-SD 3.63Å; L1186-M1197 HydrophobicContact CG-CE 4.41Å; L1186-M1197 HydrophobicContact CG-CG 3.91Å; L1186-M1197 HydrophobicContact CG-SD 4.39Å; L1186-Y1199 HydrophobicContact CD1-CD1 4.04Å; L1186-Y1199 HydrophobicContact CD1-CE1 3.93Å |
| 1187 | V | 92.9 | Very high | 84.8 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 148.9 | 179.1 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | A1175 Q1176 V1177 I1185 C1198 M1200 V1236 | A1175-V1187 HydrophobicContact CB-CB 4Å; A1175-V1187 HydrophobicContact CB-CG2 3.89Å; Q1176-V1187 CarbonylContact O-C 3.58Å; Q1176-V1187 VanDerWaalsContact O-CA 3.29Å; Q1176-V1187 WeakPolarHBondContact O-CA 2.92Å; V1177-V1187 HydrophobicContact CG2-CG1 4.16Å; I1185-V1187 HydrophobicContact CG2-CG1 4.11Å; V1187-C1198 HydrophobicContact CG2-CB 3.82Å; V1187-C1198 PolarHBondContact N-O 2.88Å; V1187-C1198 PolarHBondContact O-N 2.77Å; V1187-M1200 HydrophobicContact CG1-CB 4.43Å; V1187-M1200 HydrophobicContact CG1-CE 4.47Å; V1187-M1200 HydrophobicContact CG1-SD 4.37Å; V1187-V1236 HydrophobicContact CG2-CG2 3.64Å |
| 1188 | L | 90.9 | Very high | 84.8 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 123.9 | 179.6 | -164.1 | 82.7 | 0 | 0 | 0 | 110.3 | V1151 K1154 A1175 Q1176 V1178 G1195 M1197 | V1151-L1188 HydrophobicContact CG1-CD2 4.42Å; K1154-L1188 HydrophobicContact CB-CD2 4.2Å; K1154-L1188 HydrophobicContact CD-CD2 3.68Å; A1175-L1188 CarbonylContact C-O 3.55Å; A1175-L1188 VanDerWaalsContact CA-O 3.26Å; A1175-L1188 WeakPolarHBondContact CA-O 3.13Å; Q1176-L1188 PolarHBondContact N-O 2.9Å; Q1176-L1188 PolarHBondContact O-N 2.88Å; V1178-L1188 HydrophobicContact CG1-CB 3.99Å; L1188-G1195 WeakPolarHBondContact CD1-O 3.31Å; L1188-M1197 HydrophobicContact CD1-CG 4.1Å; L1188-M1197 HydrophobicContact CD1-SD 4.39Å |
| 1189 | I | 89.6 | Confident | 84.9 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 141.4 | 178.7 | -68.5 | 162.1 | 0 | 0 | 0 | 110.9 | V1167 L1173 S1194 G1195 L1196 C1198 | V1167-I1189 HydrophobicContact CG1-CD1 4.02Å; L1173-I1189 HydrophobicContact CB-CG2 4.48Å; L1173-I1189 HydrophobicContact CD1-CD1 3.63Å; L1173-I1189 HydrophobicContact CD1-CG1 4.09Å; L1173-I1189 HydrophobicContact CD1-CG2 4.5Å; I1189-S1194 VanDerWaalsContact O-CA 3.25Å; I1189-S1194 WeakPolarHBondContact O-CA 3.36Å; I1189-S1194 PolarHBondContact O-OG 3.1Å; I1189-S1194 VanDerWaalsContact O-OG 3.07Å; I1189-G1195 PolarHBondContact O-N 2.84Å; I1189-L1196 HydrophobicContact CD1-CB 3.97Å; I1189-L1196 HydrophobicContact CD1-CD2 3.81Å; I1189-L1196 HydrophobicContact CD1-CG 4.08Å; I1189-L1196 PolarHBondContact N-O 3.4Å; I1189-C1198 WeakPolarHBondContact CD1-SG 3.42Å |
| 1190 | S | 79.7 | Confident | 85 | Confident | 33 Ų | 33 | 26.1 Ų | 26.1 | 23% | 0.231 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.4 | 176.6 | 60.9 | 0 | 0 | 0 | 0 | 110.2 | N1174 | N1174-S1190 WeakPolarHBondContact CB-OG 3.5Å; N1174-S1190 PolarHBondContact O-N 3.06Å; N1174-S1190 PolarHBondContact O-OG 2.88Å |
| 1191 | G | 74.3 | Confident | 85.1 | Confident | 58 Ų | 58 | 24.4 Ų | 24.4 | 60% | 0.598 | 15% | 0.148 | S | C | * | . | S | Bend | trans | 103 | -134.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G1193 S1194 | G1191-G1193 PolarHBondContact O-N 2.8Å; G1191-S1194 WeakPolarHBondContact O-CB 3.49Å; G1191-S1194 PolarHBondContact O-N 3.03Å |
| 1192 | H | 63.6 | Low | 85.2 | Confident | 176 Ų | 176 | 21.8 Ų | 21.8 | 82% | 0.815 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | 123.3 | 175.9 | -126.2 | -81.1 | 0 | 0 | 0 | 109.5 | ||
| 1193 | G | 65 | Low | 85.4 | Confident | 14 Ų | 14 | 20 Ų | 20 | 14% | 0.144 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 19.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | I1166 G1191 G1195 L1196 | I1166-G1193 VanDerWaalsContact CG2-CA 3.48Å; G1191-G1193 PolarHBondContact O-N 2.8Å; G1193-G1195 PolarHBondContact O-N 2.98Å; G1193-L1196 WeakPolarHBondContact O-CB 3.43Å; G1193-L1196 PolarHBondContact O-N 2.99Å; G1193-L1196 VanDerWaalsContact O-N 3.13Å |
| 1194 | S | 75.1 | Confident | 85.3 | Confident | 28 Ų | 28 | 20 Ų | 20 | 20% | 0.196 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 122.9 | -177.2 | -168.7 | 0 | 0 | 0 | 0 | 112.6 | K1154 I1189 G1191 | K1154-S1194 WeakPolarHBondContact CD-OG 3.26Å; K1154-S1194 WeakPolarHBondContact CE-OG 3.22Å; I1189-S1194 VanDerWaalsContact O-CA 3.25Å; I1189-S1194 WeakPolarHBondContact O-CA 3.36Å; I1189-S1194 PolarHBondContact O-OG 3.1Å; I1189-S1194 VanDerWaalsContact O-OG 3.07Å; G1191-S1194 WeakPolarHBondContact O-CB 3.49Å; G1191-S1194 PolarHBondContact O-N 3.03Å |
| 1195 | G | 76.9 | Confident | 85.2 | Confident | 4 Ų | 4 | 20.3 Ų | 20.3 | 4% | 0.041 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 114.9 | -13 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | K1154 M1158 L1188 I1189 G1193 M1197 | K1154-G1195 WeakPolarHBondContact O-CA 3.47Å; M1158-G1195 VanDerWaalsContact CG-C 3.49Å; L1188-G1195 WeakPolarHBondContact CD1-O 3.31Å; I1189-G1195 PolarHBondContact O-N 2.84Å; G1193-G1195 PolarHBondContact O-N 2.98Å; G1195-M1197 PolarHBondContact O-N 2.83Å |
| 1196 | L | 85.9 | Confident | 84.9 | Confident | 20 Ų | 20 | 20.9 Ų | 20.9 | 11% | 0.105 | 13% | 0.125 | C | C | . | . | trans | -69.9 | 128 | 172.8 | -176.5 | 62.7 | 0 | 0 | 0 | 109.5 | M1158 A1163 I1166 V1167 I1189 G1193 V1234 | M1158-L1196 HydrophobicContact CE-CB 4.3Å; A1163-L1196 HydrophobicContact CB-CD1 4.09Å; A1163-L1196 HydrophobicContact CB-CD2 4.32Å; I1166-L1196 HydrophobicContact CB-CD2 4.37Å; I1166-L1196 HydrophobicContact CD1-CD2 4.43Å; I1166-L1196 HydrophobicContact CG2-CD2 4.23Å; V1167-L1196 HydrophobicContact CG1-CD2 4.26Å; V1167-L1196 HydrophobicContact CG2-CD2 3.54Å; I1189-L1196 HydrophobicContact CD1-CB 3.97Å; I1189-L1196 HydrophobicContact CD1-CD2 3.81Å; I1189-L1196 HydrophobicContact CD1-CG 4.08Å; I1189-L1196 PolarHBondContact N-O 3.4Å; G1193-L1196 WeakPolarHBondContact O-CB 3.43Å; G1193-L1196 PolarHBondContact O-N 2.99Å; G1193-L1196 VanDerWaalsContact O-N 3.13Å; L1196-V1234 HydrophobicContact CD2-CG2 4.15Å; L1196-V1234 HydrophobicContact CG-CG2 4.47Å | ||
| 1197 | M | 88.8 | Confident | 84.7 | Confident | 21 Ų | 21 | 21.2 Ų | 21.2 | 10% | 0.103 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 132.8 | -177.9 | -131.6 | 153.7 | 60.4 | 0 | 0 | 110.2 | I1082 L1134 L1186 L1188 G1195 | I1082-M1197 HydrophobicContact CB-CE 4.37Å; I1082-M1197 HydrophobicContact CG2-CE 3.19Å; L1134-M1197 HydrophobicContact CD2-SD 4.31Å; L1186-M1197 HydrophobicContact CD1-CE 4.43Å; L1186-M1197 HydrophobicContact CD1-CG 4.4Å; L1186-M1197 HydrophobicContact CD2-CE 3.67Å; L1186-M1197 HydrophobicContact CD2-CG 3.82Å; L1186-M1197 HydrophobicContact CD2-SD 3.63Å; L1186-M1197 HydrophobicContact CG-CE 4.41Å; L1186-M1197 HydrophobicContact CG-CG 3.91Å; L1186-M1197 HydrophobicContact CG-SD 4.39Å; L1188-M1197 HydrophobicContact CD1-CG 4.1Å; L1188-M1197 HydrophobicContact CD1-SD 4.39Å; G1195-M1197 PolarHBondContact O-N 2.83Å |
| 1198 | C | 91.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 153.4 | -174.8 | -51.7 | 0 | 0 | 0 | 0 | 110.8 | V1187 I1189 V1234 V1236 | V1187-C1198 HydrophobicContact CG2-CB 3.82Å; V1187-C1198 PolarHBondContact N-O 2.88Å; V1187-C1198 PolarHBondContact O-N 2.77Å; I1189-C1198 WeakPolarHBondContact CD1-SG 3.42Å; C1198-V1234 WeakPolarHBondContact CA-O 3.28Å; C1198-V1234 HydrophobicContact CB-CB 4.15Å; C1198-V1234 HydrophobicContact CB-CG1 4.39Å; C1198-V1234 WeakPolarHBondContact CB-O 3.23Å; C1198-V1236 HydrophobicContact CB-CB 4.43Å; C1198-V1236 HydrophobicContact CB-CG1 3.74Å; C1198-V1236 HydrophobicContact CB-CG2 3.78Å |
| 1199 | Y | 93.7 | Very high | 83.8 | Confident | 22 Ų | 22 | 23.6 Ų | 23.6 | 9% | 0.086 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.5 | -177.2 | -57.1 | -99.1 | 0 | 0 | 0 | 109.1 | L1062 I1082 L1184 L1186 R1233 V1234 L1235 V1236 | L1062-Y1199 HydrophobicContact CD1-CD1 4.37Å; L1062-Y1199 HydrophobicContact CD1-CG 4.4Å; L1062-Y1199 HydrophobicContact CD2-CD1 3.85Å; L1062-Y1199 HydrophobicContact CD2-CE1 4.05Å; I1082-Y1199 HydrophobicContact CD1-CE1 4.13Å; I1082-Y1199 HydrophobicContact CG2-CE1 4.32Å; L1184-Y1199 HydrophobicContact CD1-CD1 3.56Å; L1184-Y1199 HydrophobicContact CD1-CG 4.21Å; L1184-Y1199 HydrophobicContact CD2-CD1 4.22Å; L1186-Y1199 HydrophobicContact CD1-CD1 4.04Å; L1186-Y1199 HydrophobicContact CD1-CE1 3.93Å; Y1199-R1233 HydrophobicContact CD2-CB 3.96Å; Y1199-R1233 HydrophobicContact CD2-CG 4.23Å; Y1199-R1233 HydrophobicContact CE2-CB 3.88Å; Y1199-R1233 HydrophobicContact CE2-CG 3.72Å; Y1199-V1234 PolarHBondContact N-O 3.41Å; Y1199-L1235 HydrophobicContact CG-CD2 4.5Å; Y1199-L1235 CarbonylContact O-C 3.51Å; Y1199-L1235 WeakPolarHBondContact O-CA 3.44Å; Y1199-V1236 PolarHBondContact O-N 3.03Å |
| 1200 | M | 94 | Very high | 83.1 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 138.5 | -179.8 | -172.1 | 172.8 | 84.1 | 0 | 0 | 109.6 | I1185 V1187 A1202 Y1216 L1222 V1224 V1236 P1238 | I1185-M1200 HydrophobicContact CB-CB 4.15Å; I1185-M1200 HydrophobicContact CB-CE 3.93Å; I1185-M1200 HydrophobicContact CD1-CE 3.6Å; I1185-M1200 HydrophobicContact CG1-CE 4.37Å; I1185-M1200 HydrophobicContact CG2-CE 3.7Å; I1185-M1200 PolarHBondContact N-O 2.83Å; I1185-M1200 WeakPolarHBondContact O-CB 3.45Å; I1185-M1200 PolarHBondContact O-N 3.02Å; V1187-M1200 HydrophobicContact CG1-CB 4.43Å; V1187-M1200 HydrophobicContact CG1-CE 4.47Å; V1187-M1200 HydrophobicContact CG1-SD 4.37Å; M1200-A1202 PolarHBondContact O-N 3.34Å; M1200-Y1216 HydrophobicContact CE-CD1 4.33Å; M1200-Y1216 HydrophobicContact CE-CD2 4.19Å; M1200-Y1216 HydrophobicContact CE-CE1 4.16Å; M1200-Y1216 HydrophobicContact CE-CE2 4.03Å; M1200-Y1216 HydrophobicContact CE-CG 4.34Å; M1200-L1222 HydrophobicContact CE-CD1 4.31Å; M1200-V1224 HydrophobicContact SD-CG1 4.32Å; M1200-V1236 WeakPolarHBondContact CA-O 3.33Å; M1200-V1236 HydrophobicContact CB-CG2 3.99Å; M1200-V1236 HydrophobicContact CG-CG2 4.46Å; M1200-V1236 WeakPolarHBondContact CG-O 3.21Å; M1200-P1238 HydrophobicContact CE-CG 4.38Å; M1200-P1238 HydrophobicContact SD-CG 3.76Å |
| 1201 | P | 91.5 | Very high | 82.9 | Confident | 12 Ų | 12 | 24.8 Ų | 24.8 | 8% | 0.078 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 132.4 | -179.2 | 25.1 | -32 | 0 | 0 | 0 | 110.7 | F1055 L1058 V1236 | F1055-P1201 HydrophobicContact CE1-CG 4.44Å; L1058-P1201 HydrophobicContact CB-CB 4.26Å; L1058-P1201 HydrophobicContact CD2-CB 4.3Å; P1201-V1236 VanDerWaalsContact CD-O 3.22Å; P1201-V1236 WeakPolarHBondContact CD-O 3.47Å |
| 1202 | A | 90 | Very high | 83.2 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -86 | -12.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K1181 N1183 I1185 M1200 E1212 A1213 | K1181-A1202 VanDerWaalsContact O-CB 3.3Å; K1181-A1202 WeakPolarHBondContact O-CB 3.35Å; N1183-A1202 VanDerWaalsContact C-CB 3.43Å; I1185-A1202 HydrophobicContact CD1-CB 4.31Å; I1185-A1202 HydrophobicContact CG1-CB 3.95Å; M1200-A1202 PolarHBondContact O-N 3.34Å; A1202-E1212 WeakPolarHBondContact O-CB 3.24Å; A1202-A1213 HydrophobicContact CB-CB 4.19Å; A1202-A1213 PolarHBondContact O-N 2.52Å |
| 1203 | R | 88.7 | Confident | 84 | Confident | 17 Ų | 17 | 14.4 Ų | 14.4 | 6% | 0.064 | 9% | 0.087 | C | C | . | . | trans | -126.6 | 128.7 | -178.2 | -65.3 | 173.4 | 67 | -165.4 | 0 | 109.4 | S1054 L1057 N1183 Y1206 D1208 | S1054-R1203 VanDerWaalsContact CB-O 3.23Å; S1054-R1203 WeakPolarHBondContact CB-O 3.47Å; L1057-R1203 HydrophobicContact CD1-CB 4.48Å; N1183-R1203 VanDerWaalsContact OD1-CD 3.27Å; N1183-R1203 WeakPolarHBondContact OD1-CD 3.39Å; R1203-Y1206 PolarHBondContact NH2-O 2.74Å; R1203-D1208 WeakPolarHBondContact CA-OD2 3.22Å; R1203-D1208 HydrophobicContact CB-CB 4.27Å; R1203-D1208 PolarHBondContact NE-O 2.94Å | ||
| 1204 | L | 84 | Confident | 84.6 | Confident | 12 Ų | 12 | 17.9 Ų | 17.9 | 6% | 0.063 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -76.4 | -28.6 | 175.4 | -73.2 | 174.8 | 0 | 0 | 0 | 113 | L1051 D1208 E1212 Y1245 | L1051-L1204 HydrophobicContact CD2-CD2 3.99Å; L1204-D1208 PolarHBondContact N-OD2 3.48Å; L1204-E1212 HydrophobicContact CD1-CB 4.3Å; L1204-E1212 HydrophobicContact CD1-CG 4.2Å; L1204-E1212 WeakPolarHBondContact CD1-OE2 3.33Å; L1204-E1212 HydrophobicContact CD2-CG 4.27Å; L1204-E1212 HydrophobicContact CG-CB 3.96Å; L1204-E1212 HydrophobicContact CG-CG 3.74Å; L1204-Y1245 HydrophobicContact CD1-CD2 4.48Å; L1204-Y1245 HydrophobicContact CD1-CE2 3.74Å; L1204-Y1245 HydrophobicContact CD2-CD2 4.38Å; L1204-Y1245 HydrophobicContact CD2-CE2 4.34Å |
| 1205 | H | 87.9 | Confident | 84.8 | Confident | 5 Ų | 5 | 21.5 Ų | 21.5 | 2% | 0.023 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -157 | 165.8 | -171 | -173.2 | -107.6 | 0 | 0 | 0 | 111 | I1043 L1047 N1207 D1208 | I1043-H1205 HydrophobicContact CG1-CB 4.42Å; I1043-H1205 HydrophobicContact CG2-CB 4.08Å; L1047-H1205 HydrophobicContact CD1-CB 4.09Å; H1205-N1207 PolarHBondContact ND1-N 3.12Å; H1205-N1207 VanDerWaalsContact ND1-N 3.14Å; H1205-N1207 PolarHBondContact O-N 3.39Å; H1205-D1208 VanDerWaalsContact O-CB 3.24Å; H1205-D1208 WeakPolarHBondContact O-CB 3.38Å; H1205-D1208 PolarHBondContact O-N 2.95Å |
| 1206 | Y | 86.9 | Confident | 85.2 | Confident | 13 Ų | 13 | 22.4 Ų | 22.4 | 5% | 0.051 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -33.7 | 174.2 | -64.5 | -80.2 | 0 | 0 | 0 | 112.9 | V956 V1024 T1053 L1057 R1203 D1208 | V956-Y1206 HydrophobicContact CB-CE1 3.87Å; V956-Y1206 HydrophobicContact CG1-CE1 4.27Å; V956-Y1206 HydrophobicContact CG2-CE1 3.88Å; V956-Y1206 HydrophobicContact CG2-CE2 3.99Å; V1024-Y1206 HydrophobicContact CB-CD2 4.48Å; V1024-Y1206 HydrophobicContact CG2-CD2 3.5Å; V1024-Y1206 HydrophobicContact CG2-CE2 4.19Å; V1024-Y1206 HydrophobicContact CG2-CG 3.93Å; T1053-Y1206 HydrophobicContact CG2-CD2 3.7Å; T1053-Y1206 HydrophobicContact CG2-CE2 3.4Å; T1053-Y1206 VanDerWaalsContact CG2-CE2 3.4Å; L1057-Y1206 HydrophobicContact CD1-CD1 4.31Å; L1057-Y1206 HydrophobicContact CD1-CE1 4.43Å; L1057-Y1206 HydrophobicContact CD2-CD1 3.77Å; L1057-Y1206 HydrophobicContact CD2-CE1 3.45Å; L1057-Y1206 VanDerWaalsContact CD2-CE1 3.45Å; L1057-Y1206 HydrophobicContact CG-CD1 4.36Å; L1057-Y1206 HydrophobicContact CG-CE1 4.01Å; R1203-Y1206 PolarHBondContact NH2-O 2.74Å; Y1206-D1208 VanDerWaalsContact C-N 3.27Å; Y1206-D1208 PolarHBondContact O-N 3.24Å |
| 1207 | N | 87.9 | Confident | 85.2 | Confident | 7 Ų | 7 | 29.7 Ų | 29.7 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 11.1 | 177.3 | -49.5 | -7.4 | 0 | 0 | 0 | 113.5 | V1023 V1024 M1041 I1043 H1205 F1209 | V1023-N1207 WeakPolarHBondContact CA-OD1 3.19Å; V1023-N1207 WeakPolarHBondContact CB-OD1 3.28Å; V1024-N1207 PolarHBondContact N-OD1 3.45Å; V1024-N1207 PolarHBondContact O-ND2 2.79Å; V1024-N1207 PolarHBondContact O-OD1 2.81Å; M1041-N1207 WeakPolarHBondContact O-CB 3.41Å; M1041-N1207 PolarHBondContact O-ND2 2.77Å; I1043-N1207 HydrophobicContact CG1-CB 4.05Å; H1205-N1207 PolarHBondContact ND1-N 3.12Å; H1205-N1207 VanDerWaalsContact ND1-N 3.14Å; H1205-N1207 PolarHBondContact O-N 3.39Å; N1207-F1209 HydrophobicContact CB-CE2 4.31Å; N1207-F1209 VanDerWaalsContact O-CD2 3.26Å; N1207-F1209 WeakPolarHBondContact O-CD2 3.33Å; N1207-F1209 VanDerWaalsContact O-CE2 3.3Å; N1207-F1209 WeakPolarHBondContact O-CE2 3.29Å |
| 1208 | D | 84.1 | Confident | 84.9 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | trans | -92.1 | 104.5 | 170.5 | -173.3 | -6 | 0 | 0 | 0 | 109.2 | I1043 R1203 L1204 H1205 Y1206 G1210 V1211 E1212 | I1043-D1208 HydrophobicContact CD1-CB 3.92Å; R1203-D1208 WeakPolarHBondContact CA-OD2 3.22Å; R1203-D1208 HydrophobicContact CB-CB 4.27Å; R1203-D1208 PolarHBondContact NE-O 2.94Å; L1204-D1208 PolarHBondContact N-OD2 3.48Å; H1205-D1208 VanDerWaalsContact O-CB 3.24Å; H1205-D1208 WeakPolarHBondContact O-CB 3.38Å; H1205-D1208 PolarHBondContact O-N 2.95Å; Y1206-D1208 VanDerWaalsContact C-N 3.27Å; Y1206-D1208 PolarHBondContact O-N 3.24Å; D1208-G1210 VanDerWaalsContact C-N 3.3Å; D1208-G1210 PolarHBondContact O-N 3.14Å; D1208-G1210 PolarHBondContact OD1-N 3.17Å; D1208-V1211 WeakPolarHBondContact OD1-CB 3.4Å; D1208-V1211 PolarHBondContact OD1-N 3.2Å; D1208-E1212 PolarHBondContact OD1-N 3.13Å; D1208-E1212 WeakPolarHBondContact OD2-CB 3.46Å; D1208-E1212 PolarHBondContact OD2-N 2.86Å | ||
| 1209 | F | 80.5 | Confident | 84.5 | Confident | 50 Ų | 50 | 32.7 Ų | 32.7 | 22% | 0.219 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -95.5 | 34.7 | -176.7 | -52.9 | -81.9 | 0 | 0 | 0 | 112.1 | I983 F1013 V1018 V1021 V1023 M1041 N1207 | I983-F1209 HydrophobicContact CD1-CE1 4.41Å; I983-F1209 HydrophobicContact CD1-CZ 4.23Å; F1013-F1209 HydrophobicContact CD1-CB 4.23Å; F1013-F1209 AromaticContact CD1-CD2 3.84Å; F1013-F1209 HydrophobicContact CD1-CD2 3.84Å; F1013-F1209 HydrophobicContact CD1-CG 4.31Å; F1013-F1209 HydrophobicContact CD2-CD2 4.44Å; F1013-F1209 AromaticContact CE1-CD2 3.34Å; F1013-F1209 HydrophobicContact CE1-CD2 3.34Å; F1013-F1209 AromaticContact CE1-CE2 3.79Å; F1013-F1209 HydrophobicContact CE1-CE2 3.79Å; F1013-F1209 HydrophobicContact CE1-CG 4.24Å; F1013-F1209 HydrophobicContact CE2-CD2 4Å; F1013-F1209 AromaticContact CE2-CE2 3.93Å; F1013-F1209 HydrophobicContact CE2-CE2 3.93Å; F1013-F1209 HydrophobicContact CE2-CZ 4.47Å; F1013-F1209 HydrophobicContact CG-CB 4.49Å; F1013-F1209 HydrophobicContact CG-CD2 4.35Å; F1013-F1209 AromaticContact CZ-CD2 3.42Å; F1013-F1209 HydrophobicContact CZ-CD2 3.42Å; F1013-F1209 VanDerWaalsContact CZ-CD2 3.42Å; F1013-F1209 AromaticContact CZ-CE2 3.37Å; F1013-F1209 HydrophobicContact CZ-CE2 3.37Å; F1013-F1209 HydrophobicContact CZ-CG 4.37Å; F1013-F1209 HydrophobicContact CZ-CZ 4.3Å; V1018-F1209 HydrophobicContact CB-CD1 4.49Å; V1018-F1209 HydrophobicContact CB-CE1 4.35Å; V1018-F1209 HydrophobicContact CG1-CD1 3.71Å; V1018-F1209 HydrophobicContact CG1-CE1 4.03Å; V1018-F1209 HydrophobicContact CG1-CG 4.18Å; V1021-F1209 HydrophobicContact CB-CE1 4.01Å; V1021-F1209 HydrophobicContact CG1-CD1 4.1Å; V1021-F1209 HydrophobicContact CG1-CE1 3.56Å; V1021-F1209 HydrophobicContact CG2-CE1 4.38Å; V1023-F1209 HydrophobicContact CG1-CE1 4.29Å; V1023-F1209 HydrophobicContact CG1-CZ 3.88Å; M1041-F1209 HydrophobicContact CE-CZ 4.17Å; N1207-F1209 HydrophobicContact CB-CE2 4.31Å; N1207-F1209 VanDerWaalsContact O-CD2 3.26Å; N1207-F1209 WeakPolarHBondContact O-CD2 3.33Å; N1207-F1209 VanDerWaalsContact O-CE2 3.3Å; N1207-F1209 WeakPolarHBondContact O-CE2 3.29Å |
| 1210 | G | 74.9 | Confident | 84.1 | Confident | 28 Ų | 28 | 35.1 Ų | 35.1 | 29% | 0.289 | 19% | 0.185 | S | C | . | . | S | Bend | trans | 106.9 | 9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | D1208 S1214 | D1208-G1210 VanDerWaalsContact C-N 3.3Å; D1208-G1210 PolarHBondContact O-N 3.14Å; D1208-G1210 PolarHBondContact OD1-N 3.17Å; G1210-S1214 PolarHBondContact O-N 2.68Å |
| 1211 | V | 76.6 | Confident | 83.7 | Confident | 32 Ų | 32 | 39.7 Ų | 39.7 | 19% | 0.194 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -42.8 | -179.7 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | Y1011 D1208 S1214 | Y1011-V1211 HydrophobicContact CD1-CG1 4.42Å; Y1011-V1211 HydrophobicContact CD1-CG2 4.31Å; Y1011-V1211 HydrophobicContact CD2-CG1 4.49Å; Y1011-V1211 HydrophobicContact CD2-CG2 3.97Å; Y1011-V1211 HydrophobicContact CE1-CG1 4.15Å; Y1011-V1211 HydrophobicContact CE2-CG1 4.22Å; Y1011-V1211 HydrophobicContact CE2-CG2 4.48Å; Y1011-V1211 HydrophobicContact CG-CG2 3.87Å; D1208-V1211 WeakPolarHBondContact OD1-CB 3.4Å; D1208-V1211 PolarHBondContact OD1-N 3.2Å; V1211-S1214 PolarHBondContact O-N 2.92Å; V1211-S1214 PolarHBondContact O-OG 2.83Å |
| 1212 | E | 80.4 | Confident | 83.6 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -43.8 | 179.1 | -176.5 | 66.2 | -168.3 | 0 | 0 | 112.2 | A1202 L1204 D1208 S1214 K1215 Y1216 N1241 | A1202-E1212 WeakPolarHBondContact O-CB 3.24Å; L1204-E1212 HydrophobicContact CD1-CB 4.3Å; L1204-E1212 HydrophobicContact CD1-CG 4.2Å; L1204-E1212 WeakPolarHBondContact CD1-OE2 3.33Å; L1204-E1212 HydrophobicContact CD2-CG 4.27Å; L1204-E1212 HydrophobicContact CG-CB 3.96Å; L1204-E1212 HydrophobicContact CG-CG 3.74Å; D1208-E1212 PolarHBondContact OD1-N 3.13Å; D1208-E1212 WeakPolarHBondContact OD2-CB 3.46Å; D1208-E1212 PolarHBondContact OD2-N 2.86Å; E1212-S1214 PolarHBondContact O-N 2.91Å; E1212-K1215 WeakPolarHBondContact O-CB 3.31Å; E1212-K1215 PolarHBondContact O-N 3.34Å; E1212-K1215 VanDerWaalsContact O-N 3.14Å; E1212-K1215 WeakPolarHBondContact OE2-CD 3.3Å; E1212-K1215 WeakPolarHBondContact OE2-CE 3.31Å; E1212-K1215 IonicContact OE2-NZ 3.33Å; E1212-K1215 PolarHBondContact OE2-NZ 2.94Å; E1212-Y1216 HydrophobicContact CG-CE2 4.13Å; E1212-Y1216 WeakPolarHBondContact O-CD2 3.46Å; E1212-Y1216 VanDerWaalsContact O-CE2 3.27Å; E1212-Y1216 WeakPolarHBondContact O-CE2 3.26Å; E1212-Y1216 PolarHBondContact OE1-OH 3.37Å; E1212-N1241 PolarHBondContact OE1-ND2 2.86Å |
| 1213 | A | 79.8 | Confident | 83.6 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -55.7 | -38.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1180 A1202 K1215 Y1216 | I1180-A1213 HydrophobicContact CG2-CB 4.18Å; A1202-A1213 HydrophobicContact CB-CB 4.19Å; A1202-A1213 PolarHBondContact O-N 2.52Å; A1213-K1215 PolarHBondContact O-N 2.85Å; A1213-K1215 VanDerWaalsContact O-N 3.15Å; A1213-Y1216 PolarHBondContact O-N 3.46Å |
| 1214 | S | 78 | Confident | 83.7 | Confident | 88 Ų | 88 | 45.7 Ų | 45.7 | 62% | 0.615 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -65.1 | -15.5 | -178.7 | 76.1 | 0 | 0 | 0 | 0 | 114.9 | G1210 V1211 E1212 Y1216 | G1210-S1214 PolarHBondContact O-N 2.68Å; V1211-S1214 PolarHBondContact O-N 2.92Å; V1211-S1214 PolarHBondContact O-OG 2.83Å; E1212-S1214 PolarHBondContact O-N 2.91Å; S1214-Y1216 VanDerWaalsContact C-N 3.28Å; S1214-Y1216 PolarHBondContact O-N 2.88Å |
| 1215 | K | 79.6 | Confident | 83.9 | Confident | 104 Ų | 104 | 45.3 Ų | 45.3 | 45% | 0.452 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -77.1 | -13.6 | 179.3 | -63.4 | 178.3 | -175 | 166.2 | 0 | 113.5 | E1212 A1213 | E1212-K1215 WeakPolarHBondContact O-CB 3.31Å; E1212-K1215 PolarHBondContact O-N 3.34Å; E1212-K1215 VanDerWaalsContact O-N 3.14Å; E1212-K1215 WeakPolarHBondContact OE2-CD 3.3Å; E1212-K1215 WeakPolarHBondContact OE2-CE 3.31Å; E1212-K1215 IonicContact OE2-NZ 3.33Å; E1212-K1215 PolarHBondContact OE2-NZ 2.94Å; A1213-K1215 PolarHBondContact O-N 2.85Å; A1213-K1215 VanDerWaalsContact O-N 3.15Å |
| 1216 | Y | 85.8 | Confident | 84 | Confident | 23 Ų | 23 | 45.1 Ų | 45.1 | 9% | 0.09 | 24% | 0.236 | C | C | . | . | trans | -110.3 | 151.4 | -173.4 | -55.3 | -73.4 | 0 | 0 | 0 | 111.6 | I1180 I1185 M1200 E1212 A1213 S1214 Q1220 L1222 P1238 | I1180-Y1216 VanDerWaalsContact CD1-O 3.22Å; I1180-Y1216 WeakPolarHBondContact CD1-O 3.5Å; I1185-Y1216 HydrophobicContact CD1-CD2 3.47Å; I1185-Y1216 VanDerWaalsContact CD1-CD2 3.47Å; I1185-Y1216 HydrophobicContact CD1-CE2 3.97Å; I1185-Y1216 HydrophobicContact CD1-CG 4.22Å; M1200-Y1216 HydrophobicContact CE-CD1 4.33Å; M1200-Y1216 HydrophobicContact CE-CD2 4.19Å; M1200-Y1216 HydrophobicContact CE-CE1 4.16Å; M1200-Y1216 HydrophobicContact CE-CE2 4.03Å; M1200-Y1216 HydrophobicContact CE-CG 4.34Å; E1212-Y1216 HydrophobicContact CG-CE2 4.13Å; E1212-Y1216 WeakPolarHBondContact O-CD2 3.46Å; E1212-Y1216 VanDerWaalsContact O-CE2 3.27Å; E1212-Y1216 WeakPolarHBondContact O-CE2 3.26Å; E1212-Y1216 PolarHBondContact OE1-OH 3.37Å; A1213-Y1216 PolarHBondContact O-N 3.46Å; S1214-Y1216 VanDerWaalsContact C-N 3.28Å; S1214-Y1216 PolarHBondContact O-N 2.88Å; Y1216-Q1220 VanDerWaalsContact CA-OE1 3.31Å; Y1216-L1222 HydrophobicContact CD1-CD1 3.57Å; Y1216-L1222 HydrophobicContact CD1-CD2 4.1Å; Y1216-L1222 HydrophobicContact CD1-CG 4.47Å; Y1216-L1222 HydrophobicContact CE1-CD1 3.73Å; Y1216-L1222 HydrophobicContact CE1-CD2 4.12Å; Y1216-P1238 HydrophobicContact CE1-CG 4.31Å; Y1216-P1238 VanDerWaalsContact OH-CG 3.25Å; Y1216-P1238 WeakPolarHBondContact OH-CG 3.05Å | ||
| 1217 | R | 85.1 | Confident | 84.2 | Confident | 172 Ų | 172 | 46.3 Ų | 46.3 | 65% | 0.649 | 24% | 0.242 | S | C | * | . | trans | -126.6 | 145.8 | 171.9 | -62.2 | -173 | -174.6 | -160.9 | 1.4 | 110.7 | G1219 Q1220 | R1217-G1219 PolarHBondContact O-N 2.83Å; R1217-Q1220 WeakPolarHBondContact O-CB 3.34Å; R1217-Q1220 PolarHBondContact O-N 3.43Å | ||
| 1218 | I | 82.7 | Confident | 84.1 | Confident | 54 Ų | 54 | 47.6 Ų | 47.6 | 28% | 0.277 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 129.3 | 174.5 | -62.2 | 172.9 | 0 | 0 | 0 | 108.8 | I1112 H1114 I1180 | I1112-I1218 HydrophobicContact CD1-CD1 4.19Å; H1114-I1218 HydrophobicContact CB-CG2 4.01Å; I1180-I1218 HydrophobicContact CD1-CG1 4.38Å; I1180-I1218 HydrophobicContact CG1-CG1 4.45Å |
| 1219 | G | 82.3 | Confident | 84.1 | Confident | 31 Ų | 31 | 50.2 Ų | 50.2 | 32% | 0.32 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.5 | -12.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q1176 V1177 R1217 T1221 | Q1176-G1219 WeakPolarHBondContact CG-O 3.23Å; Q1176-G1219 PolarHBondContact NE2-O 3.39Å; V1177-G1219 WeakPolarHBondContact O-CA 3.38Å; V1177-G1219 PolarHBondContact O-N 2.89Å; R1217-G1219 PolarHBondContact O-N 2.83Å; G1219-T1221 PolarHBondContact O-N 3.15Å |
| 1220 | Q | 85.8 | Confident | 83.9 | Confident | 72 Ų | 72 | 49.6 Ų | 49.6 | 34% | 0.336 | 27% | 0.265 | S | S | . | . | trans | -64.5 | 130.7 | 177.8 | -174.9 | -179.9 | 4.4 | 0 | 0 | 111.2 | Q1176 V1177 Y1216 R1217 L1222 | Q1176-Q1220 CarbonylContact C-O 3.59Å; Q1176-Q1220 WeakPolarHBondContact CA-O 3.45Å; V1177-Q1220 HydrophobicContact CG2-CB 4.44Å; V1177-Q1220 PolarHBondContact N-O 3.25Å; Y1216-Q1220 VanDerWaalsContact CA-OE1 3.31Å; R1217-Q1220 WeakPolarHBondContact O-CB 3.34Å; R1217-Q1220 PolarHBondContact O-N 3.43Å; Q1220-L1222 HydrophobicContact CG-CD2 3.83Å; Q1220-L1222 HydrophobicContact CG-CG 4.27Å | ||
| 1221 | T | 86.1 | Confident | 83.7 | Confident | 97 Ų | 97 | 55 Ų | 55 | 60% | 0.595 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 131.4 | 171.2 | 30.8 | 0 | 0 | 0 | 0 | 111.4 | A1175 Q1176 G1219 | A1175-T1221 CarbonylContact O-C 3.39Å; A1175-T1221 VanDerWaalsContact O-CA 3.3Å; A1175-T1221 WeakPolarHBondContact O-CA 3.25Å; Q1176-T1221 HydrophobicContact CB-CG2 4.14Å; Q1176-T1221 HydrophobicContact CG-CG2 4.37Å; G1219-T1221 PolarHBondContact O-N 3.15Å |
| 1222 | L | 89.5 | Confident | 83.6 | Confident | 26 Ų | 26 | 60.1 Ų | 60.1 | 14% | 0.136 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 149.5 | -175.2 | -55.4 | 168.7 | 0 | 0 | 0 | 109.5 | N1174 A1175 V1177 M1200 Y1216 Q1220 V1224 | N1174-L1222 CarbonylContact C-O 3.49Å; N1174-L1222 WeakPolarHBondContact CA-O 3.36Å; A1175-L1222 PolarHBondContact N-O 3.16Å; A1175-L1222 PolarHBondContact O-N 3.23Å; V1177-L1222 HydrophobicContact CG2-CD1 3.42Å; V1177-L1222 VanDerWaalsContact CG2-CD1 3.42Å; V1177-L1222 HydrophobicContact CG2-CG 4.2Å; M1200-L1222 HydrophobicContact CE-CD1 4.31Å; Y1216-L1222 HydrophobicContact CD1-CD1 3.57Å; Y1216-L1222 HydrophobicContact CD1-CD2 4.1Å; Y1216-L1222 HydrophobicContact CD1-CG 4.47Å; Y1216-L1222 HydrophobicContact CE1-CD1 3.73Å; Y1216-L1222 HydrophobicContact CE1-CD2 4.12Å; Q1220-L1222 HydrophobicContact CG-CD2 3.83Å; Q1220-L1222 HydrophobicContact CG-CG 4.27Å; L1222-V1224 HydrophobicContact CB-CG1 4.27Å |
| 1223 | K | 89 | Confident | 83.9 | Confident | 130 Ų | 130 | 62.2 Ų | 62.2 | 57% | 0.565 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 119 | 161.6 | -86.5 | -173.9 | 177.4 | -172.9 | 0 | 109.3 | L1173 N1174 V1239 | L1173-K1223 WeakPolarHBondContact O-CA 3.47Å; N1174-K1223 WeakPolarHBondContact OD1-CG 3.48Å; K1223-V1239 HydrophobicContact CB-CB 4.34Å; K1223-V1239 HydrophobicContact CB-CG2 3.99Å; K1223-V1239 PolarHBondContact O-N 3.47Å |
| 1224 | V | 91.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 160.7 | 176.8 | -58.7 | 0 | 0 | 0 | 0 | 109.8 | E1172 L1173 A1175 M1200 L1222 V1236 A1237 | E1172-V1224 CarbonylContact C-O 3.56Å; E1172-V1224 WeakPolarHBondContact CA-O 3.42Å; L1173-V1224 HydrophobicContact CB-CG2 4.35Å; L1173-V1224 PolarHBondContact N-O 3.01Å; L1173-V1224 PolarHBondContact O-N 3.35Å; L1173-V1224 VanDerWaalsContact O-O 3.12Å; A1175-V1224 HydrophobicContact CB-CG1 4.14Å; A1175-V1224 HydrophobicContact CB-CG2 3.58Å; M1200-V1224 HydrophobicContact SD-CG1 4.32Å; L1222-V1224 HydrophobicContact CB-CG1 4.27Å; V1224-V1236 HydrophobicContact CB-CB 4.13Å; V1224-V1236 HydrophobicContact CB-CG2 4.31Å; V1224-V1236 HydrophobicContact CG2-CB 4.21Å; V1224-V1236 HydrophobicContact CG2-CG1 4.37Å; V1224-V1236 HydrophobicContact CG2-CG2 4.36Å; V1224-A1237 CarbonylContact C-O 3.55Å; V1224-A1237 VanDerWaalsContact CA-O 3.23Å; V1224-A1237 WeakPolarHBondContact CA-O 3.27Å; V1224-A1237 WeakPolarHBondContact CB-O 3.22Å |
| 1225 | Y | 88.5 | Confident | 85 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 148.1 | 171.9 | 77.1 | -81.7 | 0 | 0 | 0 | 109.9 | K1170 Q1171 E1227 V1236 A1237 R1242 | K1170-Y1225 HydrophobicContact CD-CD2 4.36Å; K1170-Y1225 HydrophobicContact CD-CE2 4.37Å; Q1171-Y1225 VanDerWaalsContact O-CA 3.25Å; Q1171-Y1225 WeakPolarHBondContact O-CA 3.36Å; Y1225-E1227 HydrophobicContact CE2-CB 4.04Å; Y1225-E1227 WeakPolarHBondContact CE2-OE2 3.37Å; Y1225-E1227 PolarHBondContact O-N 2.8Å; Y1225-E1227 PolarHBondContact OH-OE2 3.14Å; Y1225-V1236 VanDerWaalsContact O-CA 3.25Å; Y1225-V1236 WeakPolarHBondContact O-CA 3.34Å; Y1225-V1236 WeakPolarHBondContact O-CB 3.2Å; Y1225-A1237 HydrophobicContact CD1-CB 4.46Å; Y1225-A1237 WeakPolarHBondContact CD1-O 3.44Å; Y1225-A1237 HydrophobicContact CE1-CB 3.61Å; Y1225-A1237 WeakPolarHBondContact CE1-O 3.3Å; Y1225-A1237 PolarHBondContact N-O 2.93Å; Y1225-A1237 PolarHBondContact O-N 3.03Å; Y1225-R1242 HydrophobicContact CD1-CB 4Å; Y1225-R1242 HydrophobicContact CE1-CB 3.52Å; Y1225-R1242 HydrophobicContact CE1-CG 4.1Å |
| 1226 | V | 90 | Very high | 85.6 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 115.2 | 178.9 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | V1167 K1170 Q1171 L1173 L1229 V1234 V1236 | V1167-V1226 HydrophobicContact CB-CG2 4.27Å; K1170-V1226 WeakPolarHBondContact CA-O 3.03Å; K1170-V1226 PolarHBondContact N-O 2.89Å; Q1171-V1226 PolarHBondContact O-N 2.92Å; L1173-V1226 HydrophobicContact CD1-CG2 3.83Å; V1226-L1229 HydrophobicContact CG1-CD1 4.02Å; V1226-L1229 HydrophobicContact CG1-CG 3.95Å; V1226-V1234 HydrophobicContact CG1-CG1 3.88Å; V1226-V1234 HydrophobicContact CG2-CG1 4.2Å; V1226-V1236 HydrophobicContact CG2-CG1 4.34Å |
| 1227 | E | 89.3 | Confident | 85.8 | Confident | 38 Ų | 38 | 51.7 Ų | 51.7 | 18% | 0.178 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -44.5 | 175.1 | -179 | 68.1 | -140.2 | 0 | 0 | 111 | F1055 L1169 K1170 Y1225 L1235 | F1055-E1227 HydrophobicContact CD1-CB 4.34Å; F1055-E1227 HydrophobicContact CD1-CG 4.21Å; F1055-E1227 HydrophobicContact CD2-CB 4.49Å; F1055-E1227 HydrophobicContact CD2-CG 3.81Å; F1055-E1227 HydrophobicContact CE1-CB 3.63Å; F1055-E1227 HydrophobicContact CE1-CG 3.94Å; F1055-E1227 HydrophobicContact CE2-CB 3.81Å; F1055-E1227 HydrophobicContact CE2-CG 3.51Å; F1055-E1227 HydrophobicContact CG-CG 4.15Å; F1055-E1227 HydrophobicContact CZ-CB 3.31Å; F1055-E1227 HydrophobicContact CZ-CG 3.57Å; L1169-E1227 WeakPolarHBondContact CD2-O 3.37Å; K1170-E1227 IonicContact NZ-OE1 2.69Å; K1170-E1227 PolarHBondContact NZ-OE1 2.95Å; K1170-E1227 IonicContact NZ-OE2 3.04Å; K1170-E1227 PolarHBondContact NZ-OE2 2.85Å; Y1225-E1227 HydrophobicContact CE2-CB 4.04Å; Y1225-E1227 WeakPolarHBondContact CE2-OE2 3.37Å; Y1225-E1227 PolarHBondContact O-N 2.8Å; Y1225-E1227 PolarHBondContact OH-OE2 3.14Å; E1227-L1235 PolarHBondContact N-O 3.32Å |
| 1228 | D | 87.7 | Confident | 86 | Confident | 35 Ų | 35 | 43.9 Ų | 43.9 | 19% | 0.187 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 148.8 | -168.5 | -161.5 | 4 | 0 | 0 | 0 | 111.4 | R1059 S1230 L1235 | R1059-D1228 IonicContact CZ-OD2 3.56Å; R1059-D1228 IonicContact NE-OD2 2.96Å; R1059-D1228 PolarHBondContact NE-OD2 3.18Å; R1059-D1228 IonicContact NH2-OD2 2.66Å; R1059-D1228 PolarHBondContact NH2-OD2 2.83Å; D1228-S1230 PolarHBondContact OD1-OG 2.89Å; D1228-S1230 PolarHBondContact OD2-OG 2.78Å; D1228-S1230 VanDerWaalsContact OD2-OG 3.1Å; D1228-L1235 HydrophobicContact CB-CB 4Å; D1228-L1235 HydrophobicContact CB-CD1 4.06Å; D1228-L1235 HydrophobicContact CB-CG 4.16Å; D1228-L1235 PolarHBondContact N-O 3.31Å; D1228-L1235 PolarHBondContact O-N 3.37Å |
| 1229 | L | 83.3 | Confident | 86 | Confident | 55 Ų | 55 | 42.2 Ų | 42.2 | 29% | 0.288 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 80.1 | -179.3 | -81.1 | 156 | 0 | 0 | 0 | 107 | A1163 V1167 L1169 V1226 V1234 | A1163-L1229 HydrophobicContact CB-CD2 4.31Å; V1167-L1229 HydrophobicContact CG2-CD2 4.12Å; L1169-L1229 HydrophobicContact CD2-CD1 4.37Å; L1169-L1229 HydrophobicContact CG-CD1 4.07Å; V1226-L1229 HydrophobicContact CG1-CD1 4.02Å; V1226-L1229 HydrophobicContact CG1-CG 3.95Å; L1229-V1234 HydrophobicContact CD2-CB 4.45Å; L1229-V1234 HydrophobicContact CD2-CG1 4.2Å; L1229-V1234 HydrophobicContact CD2-CG2 3.83Å |
| 1230 | S | 76.3 | Confident | 85.7 | Confident | 38 Ų | 38 | 45.9 Ų | 45.9 | 27% | 0.266 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 144.1 | -175.3 | 45.1 | 0 | 0 | 0 | 0 | 110.5 | D1228 N1232 R1233 | D1228-S1230 PolarHBondContact OD1-OG 2.89Å; D1228-S1230 PolarHBondContact OD2-OG 2.78Å; D1228-S1230 VanDerWaalsContact OD2-OG 3.1Å; S1230-N1232 VanDerWaalsContact C-N 3.33Å; S1230-N1232 PolarHBondContact O-N 2.69Å; S1230-R1233 PolarHBondContact N-O 3.15Å; S1230-R1233 WeakPolarHBondContact O-CA 3.44Å; S1230-R1233 WeakPolarHBondContact O-CB 3.27Å; S1230-R1233 PolarHBondContact O-N 3.35Å; S1230-R1233 VanDerWaalsContact O-O 3.1Å |
| 1231 | D | 71.4 | Confident | 85.4 | Confident | 142 Ų | 142 | 43 Ų | 43 | 76% | 0.759 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 40.9 | 176.2 | -54.4 | -33.6 | 0 | 0 | 0 | 115.2 | R1233 | D1231-R1233 PolarHBondContact O-N 2.77Å; D1231-R1233 VanDerWaalsContact O-N 3.08Å |
| 1232 | N | 73.5 | Confident | 84.8 | Confident | 139 Ų | 139 | 42.8 Ų | 42.8 | 74% | 0.743 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 14 | -172.7 | -77.4 | -13.1 | 0 | 0 | 0 | 115 | S1230 | S1230-N1232 VanDerWaalsContact C-N 3.33Å; S1230-N1232 PolarHBondContact O-N 2.69Å |
| 1233 | R | 86.4 | Confident | 83.7 | Confident | 47 Ų | 47 | 46.5 Ų | 46.5 | 18% | 0.177 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 143 | 175.1 | -63 | 177.5 | 176.3 | 148.7 | -1.9 | 110.1 | D1066 Y1199 S1230 D1231 | D1066-R1233 IonicContact OD1-CZ 2.93Å; D1066-R1233 IonicContact OD1-NH1 3.28Å; D1066-R1233 IonicContact OD1-NH2 3.79Å; D1066-R1233 PolarHBondContact OD1-NH2 2.82Å; D1066-R1233 IonicContact OD2-CZ 3.45Å; D1066-R1233 VanDerWaalsContact OD2-CZ 3.28Å; D1066-R1233 IonicContact OD2-NH1 2.79Å; D1066-R1233 PolarHBondContact OD2-NH1 3.44Å; D1066-R1233 IonicContact OD2-NH2 3.7Å; D1066-R1233 PolarHBondContact OD2-NH2 2.91Å; Y1199-R1233 HydrophobicContact CD2-CB 3.96Å; Y1199-R1233 HydrophobicContact CD2-CG 4.23Å; Y1199-R1233 HydrophobicContact CE2-CB 3.88Å; Y1199-R1233 HydrophobicContact CE2-CG 3.72Å; S1230-R1233 PolarHBondContact N-O 3.15Å; S1230-R1233 WeakPolarHBondContact O-CA 3.44Å; S1230-R1233 WeakPolarHBondContact O-CB 3.27Å; S1230-R1233 PolarHBondContact O-N 3.35Å; S1230-R1233 VanDerWaalsContact O-O 3.1Å; D1231-R1233 PolarHBondContact O-N 2.77Å; D1231-R1233 VanDerWaalsContact O-N 3.08Å |
| 1234 | V | 89.4 | Confident | 82.7 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 111.9 | 174.2 | -170.5 | 0 | 0 | 0 | 0 | 108.1 | A1163 V1167 L1196 C1198 Y1199 V1226 L1229 V1236 | A1163-V1234 HydrophobicContact CB-CG2 3.59Å; V1167-V1234 HydrophobicContact CG2-CG1 4.37Å; V1167-V1234 HydrophobicContact CG2-CG2 4.35Å; L1196-V1234 HydrophobicContact CD2-CG2 4.15Å; L1196-V1234 HydrophobicContact CG-CG2 4.47Å; C1198-V1234 WeakPolarHBondContact CA-O 3.28Å; C1198-V1234 HydrophobicContact CB-CB 4.15Å; C1198-V1234 HydrophobicContact CB-CG1 4.39Å; C1198-V1234 WeakPolarHBondContact CB-O 3.23Å; Y1199-V1234 PolarHBondContact N-O 3.41Å; V1226-V1234 HydrophobicContact CG1-CG1 3.88Å; V1226-V1234 HydrophobicContact CG2-CG1 4.2Å; L1229-V1234 HydrophobicContact CD2-CB 4.45Å; L1229-V1234 HydrophobicContact CD2-CG1 4.2Å; L1229-V1234 HydrophobicContact CD2-CG2 3.83Å; V1234-V1236 HydrophobicContact CG1-CG1 4.02Å |
| 1235 | L | 92.5 | Very high | 81.5 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 127.9 | 175.7 | -50.9 | -173.9 | 0 | 0 | 0 | 109.4 | F1055 L1058 R1059 L1062 Y1199 E1227 D1228 | F1055-L1235 HydrophobicContact CD1-CB 4.17Å; F1055-L1235 HydrophobicContact CD1-CD1 4.4Å; F1055-L1235 HydrophobicContact CE1-CB 4.07Å; L1058-L1235 HydrophobicContact CD2-CD2 3.95Å; R1059-L1235 HydrophobicContact CG-CD1 3.79Å; L1062-L1235 HydrophobicContact CD1-CD2 3.97Å; Y1199-L1235 HydrophobicContact CG-CD2 4.5Å; Y1199-L1235 CarbonylContact O-C 3.51Å; Y1199-L1235 WeakPolarHBondContact O-CA 3.44Å; E1227-L1235 PolarHBondContact N-O 3.32Å; D1228-L1235 HydrophobicContact CB-CB 4Å; D1228-L1235 HydrophobicContact CB-CD1 4.06Å; D1228-L1235 HydrophobicContact CB-CG 4.16Å; D1228-L1235 PolarHBondContact N-O 3.31Å; D1228-L1235 PolarHBondContact O-N 3.37Å |
| 1236 | V | 92.1 | Very high | 80.1 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 157.2 | -177.7 | -60.2 | 0 | 0 | 0 | 0 | 111 | V1187 C1198 Y1199 M1200 P1201 V1224 Y1225 V1226 V1234 | V1187-V1236 HydrophobicContact CG2-CG2 3.64Å; C1198-V1236 HydrophobicContact CB-CB 4.43Å; C1198-V1236 HydrophobicContact CB-CG1 3.74Å; C1198-V1236 HydrophobicContact CB-CG2 3.78Å; Y1199-V1236 PolarHBondContact O-N 3.03Å; M1200-V1236 WeakPolarHBondContact CA-O 3.33Å; M1200-V1236 HydrophobicContact CB-CG2 3.99Å; M1200-V1236 HydrophobicContact CG-CG2 4.46Å; M1200-V1236 WeakPolarHBondContact CG-O 3.21Å; P1201-V1236 VanDerWaalsContact CD-O 3.22Å; P1201-V1236 WeakPolarHBondContact CD-O 3.47Å; V1224-V1236 HydrophobicContact CB-CB 4.13Å; V1224-V1236 HydrophobicContact CB-CG2 4.31Å; V1224-V1236 HydrophobicContact CG2-CB 4.21Å; V1224-V1236 HydrophobicContact CG2-CG1 4.37Å; V1224-V1236 HydrophobicContact CG2-CG2 4.36Å; Y1225-V1236 VanDerWaalsContact O-CA 3.25Å; Y1225-V1236 WeakPolarHBondContact O-CA 3.34Å; Y1225-V1236 WeakPolarHBondContact O-CB 3.2Å; V1226-V1236 HydrophobicContact CG2-CG1 4.34Å; V1234-V1236 HydrophobicContact CG1-CG1 4.02Å |
| 1237 | A | 89.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 159.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | F1055 V1224 Y1225 V1239 | F1055-A1237 HydrophobicContact CE1-CB 4.36Å; F1055-A1237 HydrophobicContact CE2-CB 4.11Å; F1055-A1237 HydrophobicContact CZ-CB 3.48Å; F1055-A1237 VanDerWaalsContact CZ-CB 3.48Å; V1224-A1237 CarbonylContact C-O 3.55Å; V1224-A1237 VanDerWaalsContact CA-O 3.23Å; V1224-A1237 WeakPolarHBondContact CA-O 3.27Å; V1224-A1237 WeakPolarHBondContact CB-O 3.22Å; Y1225-A1237 HydrophobicContact CD1-CB 4.46Å; Y1225-A1237 WeakPolarHBondContact CD1-O 3.44Å; Y1225-A1237 HydrophobicContact CE1-CB 3.61Å; Y1225-A1237 WeakPolarHBondContact CE1-O 3.3Å; Y1225-A1237 PolarHBondContact N-O 2.93Å; Y1225-A1237 PolarHBondContact O-N 3.03Å; A1237-V1239 PolarHBondContact O-N 3.41Å |
| 1238 | P | 89.6 | Confident | 76.2 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 138.1 | 175.4 | -17.4 | 29 | 0 | 0 | 0 | 110.8 | M1200 Y1216 L1240 N1241 R1242 | M1200-P1238 HydrophobicContact CE-CG 4.38Å; M1200-P1238 HydrophobicContact SD-CG 3.76Å; Y1216-P1238 HydrophobicContact CE1-CG 4.31Å; Y1216-P1238 VanDerWaalsContact OH-CG 3.25Å; Y1216-P1238 WeakPolarHBondContact OH-CG 3.05Å; P1238-L1240 PolarHBondContact O-N 2.87Å; P1238-N1241 HydrophobicContact CB-CB 4.34Å; P1238-N1241 HydrophobicContact CG-CB 4.43Å; P1238-N1241 PolarHBondContact O-N 3.44Å; P1238-R1242 PolarHBondContact O-N 3.44Å |
| 1239 | V | 82.7 | Confident | 74 | Confident | 19 Ų | 19 | 59 Ų | 59 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.1 | -35.2 | 174.1 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | E1172 K1223 A1237 N1241 R1242 L1243 | E1172-V1239 HydrophobicContact CG-CG2 4.01Å; K1223-V1239 HydrophobicContact CB-CB 4.34Å; K1223-V1239 HydrophobicContact CB-CG2 3.99Å; K1223-V1239 PolarHBondContact O-N 3.47Å; A1237-V1239 PolarHBondContact O-N 3.41Å; V1239-N1241 PolarHBondContact O-N 2.85Å; V1239-R1242 WeakPolarHBondContact O-CB 3.47Å; V1239-R1242 PolarHBondContact O-N 3.5Å; V1239-L1243 HydrophobicContact CG1-CD1 4.06Å; V1239-L1243 HydrophobicContact CG1-CG 4.37Å; V1239-L1243 WeakPolarHBondContact O-CG 3.41Å; V1239-L1243 PolarHBondContact O-N 3.27Å |
| 1240 | L | 76.9 | Confident | 71.5 | Confident | 109 Ų | 109 | 60.1 Ų | 60.1 | 57% | 0.571 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -58.3 | -46.2 | 175 | -174.3 | 64.2 | 0 | 0 | 0 | 112 | P1238 R1242 L1243 V1244 | P1238-L1240 PolarHBondContact O-N 2.87Å; L1240-R1242 VanDerWaalsContact C-N 3.29Å; L1240-R1242 PolarHBondContact O-N 2.94Å; L1240-L1243 WeakPolarHBondContact O-CB 3.12Å; L1240-L1243 PolarHBondContact O-N 2.94Å; L1240-L1243 VanDerWaalsContact O-N 3.11Å; L1240-V1244 HydrophobicContact CD1-CG2 4.24Å; L1240-V1244 HydrophobicContact CG-CG2 4.37Å; L1240-V1244 VanDerWaalsContact O-CG2 3.3Å; L1240-V1244 WeakPolarHBondContact O-CG2 3.39Å; L1240-V1244 PolarHBondContact O-N 3.24Å |
| 1241 | N | 78.3 | Confident | 69.2 | Low | 11 Ų | 11 | 65.9 Ų | 65.9 | 6% | 0.059 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.2 | -35.9 | 179.1 | -73.1 | 1.7 | 0 | 0 | 0 | 111.3 | L1051 E1212 P1238 V1239 L1243 V1244 Y1245 | L1051-N1241 HydrophobicContact CD1-CB 4.27Å; L1051-N1241 WeakPolarHBondContact CD1-O 3.47Å; L1051-N1241 HydrophobicContact CD2-CB 4.09Å; E1212-N1241 PolarHBondContact OE1-ND2 2.86Å; P1238-N1241 HydrophobicContact CB-CB 4.34Å; P1238-N1241 HydrophobicContact CG-CB 4.43Å; P1238-N1241 PolarHBondContact O-N 3.44Å; V1239-N1241 PolarHBondContact O-N 2.85Å; N1241-L1243 VanDerWaalsContact C-N 3.34Å; N1241-V1244 PolarHBondContact O-N 3.13Å; N1241-Y1245 HydrophobicContact CB-CD2 4.08Å; N1241-Y1245 WeakPolarHBondContact O-CB 3.29Å; N1241-Y1245 WeakPolarHBondContact O-CD2 3.47Å; N1241-Y1245 PolarHBondContact O-N 3.37Å |
| 1242 | R | 72.7 | Confident | 67.1 | Low | 93 Ų | 93 | 65.6 Ų | 65.6 | 35% | 0.351 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 172.6 | -175.6 | 178.8 | 171.5 | -175.8 | -4.1 | 112.1 | L1051 Y1225 P1238 V1239 L1240 G1246 | L1051-R1242 HydrophobicContact CD1-CB 4.29Å; Y1225-R1242 HydrophobicContact CD1-CB 4Å; Y1225-R1242 HydrophobicContact CE1-CB 3.52Å; Y1225-R1242 HydrophobicContact CE1-CG 4.1Å; P1238-R1242 PolarHBondContact O-N 3.44Å; V1239-R1242 WeakPolarHBondContact O-CB 3.47Å; V1239-R1242 PolarHBondContact O-N 3.5Å; L1240-R1242 VanDerWaalsContact C-N 3.29Å; L1240-R1242 PolarHBondContact O-N 2.94Å; R1242-G1246 WeakPolarHBondContact O-CA 3.38Å; R1242-G1246 PolarHBondContact O-N 2.96Å |
| 1243 | L | 68.3 | Low | 64.9 | Low | 103 Ų | 103 | 64 Ų | 64 | 54% | 0.539 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.8 | -40 | 178.2 | -70.4 | 168.6 | 0 | 0 | 0 | 112.2 | V1239 L1240 N1241 | V1239-L1243 HydrophobicContact CG1-CD1 4.06Å; V1239-L1243 HydrophobicContact CG1-CG 4.37Å; V1239-L1243 WeakPolarHBondContact O-CG 3.41Å; V1239-L1243 PolarHBondContact O-N 3.27Å; L1240-L1243 WeakPolarHBondContact O-CB 3.12Å; L1240-L1243 PolarHBondContact O-N 2.94Å; L1240-L1243 VanDerWaalsContact O-N 3.11Å; N1241-L1243 VanDerWaalsContact C-N 3.34Å |
| 1244 | V | 66.6 | Low | 62.1 | Low | 23 Ų | 23 | 67.9 Ų | 67.9 | 14% | 0.139 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -79 | -50.1 | -177.1 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | L1240 N1241 L1255 A1260 | L1240-V1244 HydrophobicContact CD1-CG2 4.24Å; L1240-V1244 HydrophobicContact CG-CG2 4.37Å; L1240-V1244 VanDerWaalsContact O-CG2 3.3Å; L1240-V1244 WeakPolarHBondContact O-CG2 3.39Å; L1240-V1244 PolarHBondContact O-N 3.24Å; N1241-V1244 PolarHBondContact O-N 3.13Å; V1244-L1255 HydrophobicContact CG1-CD1 4.41Å; V1244-L1255 HydrophobicContact CG1-CD2 4.36Å; V1244-A1260 HydrophobicContact CG2-CB 3.99Å |
| 1245 | Y | 67.5 | Low | 59.2 | Low | 46 Ų | 46 | 71.4 Ų | 71.4 | 18% | 0.18 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -104.7 | -21.2 | -170.3 | -54.5 | -70.7 | 0 | 0 | 0 | 113.5 | L1047 L1204 N1241 K1247 M1248 | L1047-Y1245 HydrophobicContact CD2-CD1 3.82Å; L1047-Y1245 HydrophobicContact CD2-CE1 4.41Å; L1204-Y1245 HydrophobicContact CD1-CD2 4.48Å; L1204-Y1245 HydrophobicContact CD1-CE2 3.74Å; L1204-Y1245 HydrophobicContact CD2-CD2 4.38Å; L1204-Y1245 HydrophobicContact CD2-CE2 4.34Å; N1241-Y1245 HydrophobicContact CB-CD2 4.08Å; N1241-Y1245 WeakPolarHBondContact O-CB 3.29Å; N1241-Y1245 WeakPolarHBondContact O-CD2 3.47Å; N1241-Y1245 PolarHBondContact O-N 3.37Å; Y1245-K1247 PolarHBondContact O-N 2.96Å; Y1245-M1248 HydrophobicContact CD1-CE 4.43Å; Y1245-M1248 HydrophobicContact CD1-SD 4.22Å; Y1245-M1248 PolarHBondContact O-N 3.35Å |
| 1246 | G | 57.8 | Low | 56.1 | Low | 42 Ų | 42 | 79 Ų | 79 | 43% | 0.433 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -21 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | R1242 | R1242-G1246 WeakPolarHBondContact O-CA 3.38Å; R1242-G1246 PolarHBondContact O-N 2.96Å |
| 1247 | K | 50.8 | Low | 53.9 | Low | 126 Ų | 126 | 81.9 Ų | 81.9 | 55% | 0.548 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -3.4 | 177.4 | -71 | -172.6 | 177.3 | -178.3 | 0 | 114.5 | Y1245 K1249 S1250 L1253 | Y1245-K1247 PolarHBondContact O-N 2.96Å; K1247-K1249 PolarHBondContact O-N 3.28Å; K1247-K1249 VanDerWaalsContact O-N 3.12Å; K1247-S1250 PolarHBondContact O-N 2.82Å; K1247-S1250 VanDerWaalsContact O-N 3.17Å; K1247-S1250 PolarHBondContact O-OG 2.97Å; K1247-S1250 VanDerWaalsContact O-OG 3.05Å; K1247-L1253 HydrophobicContact CB-CD1 3.81Å; K1247-L1253 HydrophobicContact CD-CD1 4.44Å |
| 1248 | M | 47.7 | Very low | 51.2 | Low | 53 Ų | 53 | 89.9 Ų | 89.9 | 26% | 0.261 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -6 | -178.7 | -80 | -177.3 | 164.9 | 0 | 0 | 114.5 | L1047 Y1245 S1250 L1255 | L1047-M1248 HydrophobicContact CD2-SD 3.93Å; Y1245-M1248 HydrophobicContact CD1-CE 4.43Å; Y1245-M1248 HydrophobicContact CD1-SD 4.22Å; Y1245-M1248 PolarHBondContact O-N 3.35Å; M1248-S1250 PolarHBondContact O-N 3.36Å; M1248-L1255 HydrophobicContact CE-CD1 4.06Å |
| 1249 | K | 40.3 | Very low | 48.1 | Very low | 181 Ų | 181 | 93.7 Ų | 93.7 | 79% | 0.787 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -11.1 | 169.2 | -79.5 | -171.7 | 176.5 | -179.6 | 0 | 114.1 | K1247 | K1247-K1249 PolarHBondContact O-N 3.28Å; K1247-K1249 VanDerWaalsContact O-N 3.12Å |
| 1250 | S | 31.5 | Very low | 45.6 | Very low | 78 Ų | 78 | 95.5 Ų | 95.5 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -116.7 | 126.9 | 176.5 | 56.3 | 0 | 0 | 0 | 0 | 110.4 | K1247 M1248 | K1247-S1250 PolarHBondContact O-N 2.82Å; K1247-S1250 VanDerWaalsContact O-N 3.17Å; K1247-S1250 PolarHBondContact O-OG 2.97Å; K1247-S1250 VanDerWaalsContact O-OG 3.05Å; M1248-S1250 PolarHBondContact O-N 3.36Å |
| 1251 | D | 27.8 | Very low | 43.3 | Very low | 159 Ų | 159 | 94.7 Ų | 94.7 | 85% | 0.85 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -46.4 | 139.2 | -178.1 | -77.4 | -41.4 | 0 | 0 | 0 | 113.3 | ||
| 1252 | T | 28.2 | Very low | 41 | Very low | 136 Ų | 136 | 100.1 Ų | 100.1 | 83% | 0.834 | 57% | 0.565 | S | S | * | * | trans | 72.3 | 86.3 | 172.2 | 52 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1253 | L | 25.9 | Very low | 38.9 | Very low | 104 Ų | 104 | 98.1 Ų | 98.1 | 55% | 0.545 | 56% | 0.561 | S | S | . | * | trans | -125.2 | 122.2 | 149.6 | -93.7 | 159.7 | 0 | 0 | 0 | 109.4 | K1247 | K1247-L1253 HydrophobicContact CB-CD1 3.81Å; K1247-L1253 HydrophobicContact CD-CD1 4.44Å | ||
| 1254 | V | 29 | Very low | 37.4 | Very low | 129 Ų | 129 | 97 Ų | 97 | 78% | 0.782 | 57% | 0.573 | S | S | * | * | trans | -100.4 | 105.3 | 171.8 | 179.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1255 | L | 28 | Very low | 35.8 | Very low | 77 Ų | 77 | 100.5 Ų | 100.5 | 40% | 0.403 | 61% | 0.605 | S | S | . | * | trans | -76.8 | 128.8 | 171.4 | -78.7 | 153.3 | 0 | 0 | 0 | 109.6 | V1244 M1248 A1260 | V1244-L1255 HydrophobicContact CG1-CD1 4.41Å; V1244-L1255 HydrophobicContact CG1-CD2 4.36Å; M1248-L1255 HydrophobicContact CE-CD1 4.06Å; L1255-A1260 HydrophobicContact CD2-CB 4.4Å | ||
| 1256 | H | 27.6 | Very low | 34.2 | Very low | 161 Ų | 161 | 100.9 Ų | 100.9 | 75% | 0.745 | 61% | 0.61 | S | S | * | * | trans | -124.3 | 102.3 | 176.2 | -115.4 | 0.9 | 0 | 0 | 0 | 110.4 | ||||
| 1257 | G | 45.1 | Very low | 33.1 | Very low | 62 Ų | 62 | 104.2 Ų | 104.2 | 64% | 0.639 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 83.2 | -158.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 1258 | D | 32.1 | Very low | 32.4 | Very low | 167 Ų | 167 | 108 Ų | 108 | 89% | 0.893 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -96.1 | 6.1 | -169.4 | -66 | -29.9 | 0 | 0 | 0 | 114.9 | ||
| 1259 | T | 25.5 | Very low | 31.7 | Very low | 89 Ų | 89 | 111.5 Ų | 111.5 | 55% | 0.546 | 65% | 0.649 | S | S | . | * | trans | -130.8 | 121.8 | -179.9 | 52.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1260 | A | 29.1 | Very low | 31.7 | Very low | 57 Ų | 57 | 109.9 Ų | 109.9 | 47% | 0.471 | 64% | 0.642 | S | S | . | * | trans | -95.1 | 112.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | V1244 L1255 | V1244-A1260 HydrophobicContact CG2-CB 3.99Å; L1255-A1260 HydrophobicContact CD2-CB 4.4Å | ||
| 1261 | V | 29.6 | Very low | 32.1 | Very low | 91 Ų | 91 | 111.7 Ų | 111.7 | 55% | 0.552 | 66% | 0.655 | S | S | * | * | trans | -113.9 | 130.1 | 178.6 | -174.2 | 0 | 0 | 0 | 0 | 110.3 | L1263 | V1261-L1263 PolarHBondContact O-N 2.94Š| ||
| 1262 | P | 30 | Very low | 33.2 | Very low | 125 Ų | 125 | 107 Ų | 107 | 81% | 0.812 | 63% | 0.629 | S | S | * | * | trans | -76.3 | 104.6 | -179.9 | -2.7 | 19.4 | 0 | 0 | 0 | 111 | G1264 | P1262-G1264 PolarHBondContact O-N 3.1Š| ||
| 1263 | L | 28.2 | Very low | 34.8 | Very low | 52 Ų | 52 | 105.2 Ų | 105.2 | 27% | 0.272 | 62% | 0.622 | S | S | . | * | trans | -99 | 74.4 | -175.2 | -97.4 | 132.5 | 0 | 0 | 0 | 111.8 | V1261 I1266 L1267 I1283 | V1261-L1263 PolarHBondContact O-N 2.94Å; L1263-I1266 HydrophobicContact CD2-CB 3.75Å; L1263-I1266 HydrophobicContact CD2-CD1 3.67Å; L1263-I1266 HydrophobicContact CD2-CG1 4.2Å; L1263-I1266 HydrophobicContact CD2-CG2 4.39Å; L1263-L1267 WeakPolarHBondContact O-CD1 3.44Å; L1263-I1283 HydrophobicContact CD1-CD1 4.48Å; L1263-I1283 HydrophobicContact CD2-CD1 3.82Å; L1263-I1283 HydrophobicContact CG-CD1 4.33Å | ||
| 1264 | G | 37.5 | Very low | 36.9 | Very low | 78 Ų | 78 | 101.3 Ų | 101.3 | 80% | 0.804 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -76.2 | -29.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | P1262 | P1262-G1264 PolarHBondContact O-N 3.1Š|
| 1265 | A | 31.5 | Very low | 39.1 | Very low | 97 Ų | 97 | 97.8 Ų | 97.8 | 80% | 0.802 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -106.4 | -13.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1266 | I | 34.9 | Very low | 41.5 | Very low | 55 Ų | 55 | 97.4 Ų | 97.4 | 28% | 0.282 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -98.3 | -5.5 | -175.7 | -61.3 | 159.4 | 0 | 0 | 0 | 112.4 | L1263 K1268 I1283 L1328 | L1263-I1266 HydrophobicContact CD2-CB 3.75Å; L1263-I1266 HydrophobicContact CD2-CD1 3.67Å; L1263-I1266 HydrophobicContact CD2-CG1 4.2Å; L1263-I1266 HydrophobicContact CD2-CG2 4.39Å; I1266-K1268 PolarHBondContact O-N 3.02Å; I1266-K1268 VanDerWaalsContact O-N 3.12Å; I1266-I1283 HydrophobicContact CD1-CD1 3.66Å; I1266-I1283 HydrophobicContact CD1-CG1 4.1Å; I1266-L1328 HydrophobicContact CD1-CD1 3.72Å |
| 1267 | L | 33.8 | Very low | 43.9 | Very low | 111 Ų | 111 | 91.5 Ų | 91.5 | 58% | 0.581 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 4.5 | -177.7 | -86.6 | 168.8 | 0 | 0 | 0 | 115.8 | L1263 | L1263-L1267 WeakPolarHBondContact O-CD1 3.44Š|
| 1268 | K | 36.9 | Very low | 45.5 | Very low | 207 Ų | 207 | 89.1 Ų | 89.1 | 90% | 0.9 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -3 | 176.3 | -84.6 | -170.1 | 176.8 | -178.4 | 0 | 115.3 | I1266 | I1266-K1268 PolarHBondContact O-N 3.02Å; I1266-K1268 VanDerWaalsContact O-N 3.12Å |
| 1269 | E | 34 | Very low | 47.8 | Very low | 126 Ų | 126 | 85.3 Ų | 85.3 | 59% | 0.589 | 51% | 0.513 | S | S | * | . | trans | -115.9 | 68.2 | 178.3 | -70.6 | -178 | 174 | 0 | 0 | 112.3 | S1271 I1272 | E1269-S1271 VanDerWaalsContact C-N 3.29Å; E1269-S1271 PolarHBondContact O-N 3.37Å; E1269-I1272 HydrophobicContact CB-CD1 3.81Å; E1269-I1272 HydrophobicContact CB-CG1 4.42Å; E1269-I1272 HydrophobicContact CG-CD1 4.23Å; E1269-I1272 VanDerWaalsContact OE2-CD1 3.3Å; E1269-I1272 WeakPolarHBondContact OE2-CD1 3.37Å | ||
| 1270 | K | 39.2 | Very low | 50.6 | Low | 147 Ų | 147 | 82.3 Ų | 82.3 | 64% | 0.639 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -3.3 | -171.8 | -85 | -177 | 176.8 | 178.6 | 0 | 116.4 | R1299 | K1270-R1299 PolarHBondContact O-NH1 3.28Š|
| 1271 | S | 39.5 | Very low | 53.1 | Low | 115 Ų | 115 | 83.4 Ų | 83.4 | 80% | 0.804 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.3 | 34.8 | -165.8 | 65.3 | 0 | 0 | 0 | 0 | 116.4 | E1269 | E1269-S1271 VanDerWaalsContact C-N 3.29Å; E1269-S1271 PolarHBondContact O-N 3.37Å |
| 1272 | I | 51.4 | Low | 55.6 | Low | 60 Ų | 60 | 79.1 Ų | 79.1 | 31% | 0.308 | 46% | 0.464 | S | S | . | . | trans | -102.3 | 115.2 | -177.4 | -57.3 | -178.7 | 0 | 0 | 0 | 111 | E1269 Y1280 | E1269-I1272 HydrophobicContact CB-CD1 3.81Å; E1269-I1272 HydrophobicContact CB-CG1 4.42Å; E1269-I1272 HydrophobicContact CG-CD1 4.23Å; E1269-I1272 VanDerWaalsContact OE2-CD1 3.3Å; E1269-I1272 WeakPolarHBondContact OE2-CD1 3.37Å; I1272-Y1280 HydrophobicContact CG2-CD1 3.92Å; I1272-Y1280 HydrophobicContact CG2-CE1 3.35Å | ||
| 1273 | S | 62.7 | Low | 57.9 | Low | 99 Ų | 99 | 74.2 Ų | 74.2 | 69% | 0.692 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -84.7 | 125.7 | 167.9 | 70.3 | 0 | 0 | 0 | 0 | 110 | S1275 | S1273-S1275 PolarHBondContact O-N 3.29Å; S1273-S1275 VanDerWaalsContact O-N 3.12Å |
| 1274 | L | 70.2 | Confident | 60.5 | Low | 23 Ų | 23 | 71.8 Ų | 71.8 | 12% | 0.12 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 116.1 | 175.9 | -71.5 | -179.9 | 0 | 0 | 0 | 111.7 | Y1280 I1296 H1300 V1333 L1336 A1356 | L1274-Y1280 HydrophobicContact CD2-CD1 4Å; L1274-Y1280 HydrophobicContact CD2-CD2 3.49Å; L1274-Y1280 VanDerWaalsContact CD2-CD2 3.49Å; L1274-Y1280 HydrophobicContact CD2-CE1 3.98Å; L1274-Y1280 HydrophobicContact CD2-CE2 3.45Å; L1274-Y1280 VanDerWaalsContact CD2-CE2 3.45Å; L1274-Y1280 HydrophobicContact CD2-CG 3.77Å; L1274-I1296 HydrophobicContact CD2-CB 4.5Å; L1274-I1296 HydrophobicContact CD2-CG2 3.76Å; L1274-H1300 HydrophobicContact CD1-CB 3.22Å; L1274-H1300 VanDerWaalsContact CD1-CG 3.41Å; L1274-H1300 HydrophobicContact CG-CB 4.01Å; L1274-V1333 HydrophobicContact CD2-CG2 4.34Å; L1274-L1336 HydrophobicContact CB-CD1 4.35Å; L1274-L1336 HydrophobicContact CB-CD2 4.2Å; L1274-L1336 HydrophobicContact CD1-CD2 4.07Å; L1274-L1336 WeakPolarHBondContact O-CD1 3.33Å; L1274-A1356 HydrophobicContact CD1-CB 4.14Å |
| 1275 | S | 73.9 | Confident | 62.5 | Low | 54 Ų | 54 | 70.7 Ų | 70.7 | 38% | 0.378 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -95.1 | 140.8 | 165.9 | 58.4 | 0 | 0 | 0 | 0 | 111 | S1273 L1277 G1278 Y1280 | S1273-S1275 PolarHBondContact O-N 3.29Å; S1273-S1275 VanDerWaalsContact O-N 3.12Å; S1275-L1277 PolarHBondContact O-N 2.79Å; S1275-G1278 PolarHBondContact O-N 3.07Å; S1275-G1278 VanDerWaalsContact O-N 3.14Å; S1275-Y1280 PolarHBondContact N-OH 2.67Å; S1275-Y1280 PolarHBondContact OG-OH 3.14Å |
| 1276 | P | 78.2 | Confident | 64.9 | Low | 70 Ų | 70 | 66.3 Ų | 66.3 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 138.8 | 162.6 | -20.7 | 32.4 | 0 | 0 | 0 | 109.5 | G1278 L1336 | P1276-G1278 PolarHBondContact O-N 2.93Å; P1276-L1336 HydrophobicContact CG-CD1 4.12Å |
| 1277 | L | 77.7 | Confident | 67.1 | Low | 37 Ų | 37 | 67.1 Ų | 67.1 | 19% | 0.194 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | -1.1 | -176.6 | -43.5 | 173.1 | 0 | 0 | 0 | 115.5 | S1275 K1332 V1333 N1370 I1375 | S1275-L1277 PolarHBondContact O-N 2.79Å; L1277-K1332 WeakPolarHBondContact O-CE 3.36Å; L1277-V1333 WeakPolarHBondContact CA-O 3.36Å; L1277-V1333 PolarHBondContact N-O 3.4Å; L1277-N1370 HydrophobicContact CD1-CB 4.28Å; L1277-N1370 VanDerWaalsContact CD1-O 3.24Å; L1277-N1370 WeakPolarHBondContact CD1-O 3.43Å; L1277-I1375 HydrophobicContact CD2-CB 3.99Å; L1277-I1375 HydrophobicContact CD2-CD1 3.77Å; L1277-I1375 HydrophobicContact CD2-CG1 4.49Å; L1277-I1375 HydrophobicContact CD2-CG2 3.86Å |
| 1278 | G | 79.2 | Confident | 69.1 | Low | 12 Ų | 12 | 65.3 Ų | 65.3 | 12% | 0.124 | 36% | 0.359 | C | S | . | . | trans | -72.2 | 148 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1275 P1276 Y1280 K1332 V1333 | S1275-G1278 PolarHBondContact O-N 3.07Å; S1275-G1278 VanDerWaalsContact O-N 3.14Å; P1276-G1278 PolarHBondContact O-N 2.93Å; G1278-Y1280 WeakPolarHBondContact O-CD2 3.42Å; G1278-Y1280 WeakPolarHBondContact O-CE2 3.48Å; G1278-K1332 WeakPolarHBondContact O-CA 3.46Å; G1278-V1333 PolarHBondContact O-N 2.89Å | ||
| 1279 | L | 81.5 | Confident | 71.3 | Confident | 87 Ų | 87 | 58.4 Ų | 58.4 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 131.3 | 174.8 | -135.2 | 91.2 | 0 | 0 | 0 | 109.7 | T1330 K1332 I1365 | L1279-T1330 HydrophobicContact CD2-CG2 3.54Å; L1279-T1330 HydrophobicContact CG-CG2 4.03Å; L1279-K1332 HydrophobicContact CD1-CB 3.83Å; L1279-K1332 HydrophobicContact CD1-CD 3.78Å; L1279-K1332 HydrophobicContact CD1-CG 3.84Å; L1279-I1365 HydrophobicContact CD1-CG2 4.01Å; L1279-I1365 HydrophobicContact CD2-CG2 4.45Å |
| 1280 | Y | 83.5 | Confident | 73.8 | Confident | 26 Ų | 26 | 55.6 Ų | 55.6 | 10% | 0.102 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 148.5 | -178.6 | -55.8 | -78.4 | 0 | 0 | 0 | 111.1 | I1272 L1274 S1275 G1278 I1296 V1331 V1333 | I1272-Y1280 HydrophobicContact CG2-CD1 3.92Å; I1272-Y1280 HydrophobicContact CG2-CE1 3.35Å; L1274-Y1280 HydrophobicContact CD2-CD1 4Å; L1274-Y1280 HydrophobicContact CD2-CD2 3.49Å; L1274-Y1280 VanDerWaalsContact CD2-CD2 3.49Å; L1274-Y1280 HydrophobicContact CD2-CE1 3.98Å; L1274-Y1280 HydrophobicContact CD2-CE2 3.45Å; L1274-Y1280 VanDerWaalsContact CD2-CE2 3.45Å; L1274-Y1280 HydrophobicContact CD2-CG 3.77Å; S1275-Y1280 PolarHBondContact N-OH 2.67Å; S1275-Y1280 PolarHBondContact OG-OH 3.14Å; G1278-Y1280 WeakPolarHBondContact O-CD2 3.42Å; G1278-Y1280 WeakPolarHBondContact O-CE2 3.48Å; Y1280-I1296 HydrophobicContact CD2-CG2 4.25Å; Y1280-I1296 HydrophobicContact CG-CG2 3.85Å; Y1280-V1331 PolarHBondContact N-O 2.8Å; Y1280-V1331 WeakPolarHBondContact O-CG2 3.4Å; Y1280-V1331 PolarHBondContact O-N 3.45Å; Y1280-V1333 HydrophobicContact CD2-CG2 3.66Å; Y1280-V1333 HydrophobicContact CE2-CG2 3.72Å |
| 1281 | N | 80.9 | Confident | 76.2 | Confident | 79 Ų | 79 | 50.5 Ų | 50.5 | 42% | 0.422 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 135.6 | 166.6 | -67.1 | -28.1 | 0 | 0 | 0 | 109.5 | A1297 T1330 | N1281-A1297 PolarHBondContact O-N 3.07Å; N1281-T1330 PolarHBondContact OD1-OG1 2.87Å |
| 1282 | A | 83.4 | Confident | 78.4 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 150.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L1294 L1295 I1296 V1329 V1331 | A1282-L1294 HydrophobicContact CB-CB 4.2Å; A1282-L1294 HydrophobicContact CB-CD1 4.42Å; A1282-L1294 HydrophobicContact CB-CD2 4.36Å; A1282-L1295 VanDerWaalsContact CA-O 3.29Å; A1282-L1295 WeakPolarHBondContact CA-O 3.48Å; A1282-I1296 HydrophobicContact CB-CB 4.27Å; A1282-I1296 HydrophobicContact CB-CG1 3.88Å; A1282-I1296 HydrophobicContact CB-CG2 4.48Å; A1282-V1329 HydrophobicContact CB-CG2 4.32Å; A1282-V1329 PolarHBondContact N-O 2.9Å; A1282-V1329 PolarHBondContact O-N 3.41Å; A1282-V1329 VanDerWaalsContact O-O 3.09Å; A1282-V1331 HydrophobicContact CB-CG1 4.31Å; A1282-V1331 HydrophobicContact CB-CG2 3.76Å |
| 1283 | I | 78.4 | Confident | 80.2 | Confident | 23 Ų | 23 | 46 Ų | 46 | 12% | 0.118 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 133.8 | 172.5 | -61.3 | 172.4 | 0 | 0 | 0 | 108.1 | L1263 I1266 T1285 L1294 L1295 L1328 | L1263-I1283 HydrophobicContact CD1-CD1 4.48Å; L1263-I1283 HydrophobicContact CD2-CD1 3.82Å; L1263-I1283 HydrophobicContact CG-CD1 4.33Å; I1266-I1283 HydrophobicContact CD1-CD1 3.66Å; I1266-I1283 HydrophobicContact CD1-CG1 4.1Å; I1283-T1285 PolarHBondContact O-N 3.28Å; I1283-L1294 CarbonylContact O-C 3.6Å; I1283-L1294 WeakPolarHBondContact O-CA 3.23Å; I1283-L1295 PolarHBondContact N-O 3.43Å; I1283-L1295 PolarHBondContact O-N 3.32Å; I1283-L1328 HydrophobicContact CG1-CD1 3.84Å |
| 1284 | V | 82.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 120.1 | 169.7 | 177.8 | 0 | 0 | 0 | 0 | 109.3 | L1292 K1293 L1294 F1323 G1326 T1327 V1329 | V1284-L1292 HydrophobicContact CG1-CD1 3.58Å; V1284-L1292 HydrophobicContact CG1-CD2 4.48Å; V1284-L1292 HydrophobicContact CG1-CG 4Å; V1284-L1292 HydrophobicContact CG2-CD1 4.42Å; V1284-L1292 HydrophobicContact CG2-CD2 3.83Å; V1284-L1292 HydrophobicContact CG2-CG 4.17Å; V1284-K1293 WeakPolarHBondContact CA-O 3.32Å; V1284-L1294 HydrophobicContact CG2-CD2 3.89Å; V1284-F1323 HydrophobicContact CG2-CB 4.46Å; V1284-G1326 PolarHBondContact O-N 2.85Å; V1284-T1327 PolarHBondContact N-O 2.92Å; V1284-V1329 HydrophobicContact CG2-CG1 4.12Å; V1284-V1329 HydrophobicContact CG2-CG2 4.02Å |
| 1285 | T | 79.9 | Confident | 82 | Confident | 56 Ų | 56 | 42.6 Ų | 42.6 | 34% | 0.344 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -1.6 | -179.9 | 61.6 | 0 | 0 | 0 | 0 | 113.4 | I1283 K1293 L1295 | I1283-T1285 PolarHBondContact O-N 3.28Å; T1285-K1293 PolarHBondContact N-O 2.9Å; T1285-K1293 WeakPolarHBondContact OG1-CB 3.44Å; T1285-K1293 PolarHBondContact OG1-O 3.34Å; T1285-L1295 HydrophobicContact CG2-CB 3.66Å |
| 1286 | G | 81.1 | Confident | 82.4 | Confident | 5 Ų | 5 | 40 Ų | 40 | 5% | 0.052 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 141.6 | -171.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1293 E1325 | G1286-K1293 WeakPolarHBondContact O-CA 3.35Å; G1286-K1293 WeakPolarHBondContact O-CB 3.4Å; G1286-K1293 PolarHBondContact O-N 3.46Å; G1286-E1325 VanDerWaalsContact CA-OE1 3.24Å; G1286-E1325 WeakPolarHBondContact CA-OE1 3.47Å |
| 1287 | T | 80.5 | Confident | 81.9 | Confident | 72 Ų | 72 | 37.8 Ų | 37.8 | 44% | 0.442 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 161.8 | 176.5 | 53.6 | 0 | 0 | 0 | 0 | 110.9 | Y1291 L1292 K1293 L1320 | T1287-Y1291 CarbonylContact C-O 3.6Å; T1287-Y1291 WeakPolarHBondContact CA-O 3.44Å; T1287-L1292 HydrophobicContact CG2-CD1 3.9Å; T1287-K1293 PolarHBondContact O-NZ 3.33Å; T1287-L1320 HydrophobicContact CG2-CB 4.28Å; T1287-L1320 HydrophobicContact CG2-CD2 4.14Å |
| 1288 | D | 77.4 | Confident | 81.2 | Confident | 73 Ų | 73 | 37.5 Ų | 37.5 | 39% | 0.39 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 89.8 | -178.8 | -165.4 | 23.1 | 0 | 0 | 0 | 110.3 | Y1290 Y1291 K1293 | D1288-Y1290 PolarHBondContact O-N 2.85Å; D1288-Y1291 PolarHBondContact N-O 2.62Å; D1288-Y1291 WeakPolarHBondContact O-CB 3.46Å; D1288-Y1291 PolarHBondContact O-N 2.79Å; D1288-K1293 HydrophobicContact CB-CD 3.93Å; D1288-K1293 HydrophobicContact CB-CG 3.84Å; D1288-K1293 VanDerWaalsContact CG-CE 3.45Å; D1288-K1293 VanDerWaalsContact CG-NZ 3.29Å; D1288-K1293 IonicContact OD1-NZ 3.37Å; D1288-K1293 PolarHBondContact OD1-NZ 3.32Å; D1288-K1293 WeakPolarHBondContact OD2-CE 3.37Å; D1288-K1293 IonicContact OD2-NZ 3.78Å |
| 1289 | G | 81.9 | Confident | 80.6 | Confident | 61 Ų | 61 | 44.7 Ų | 44.7 | 63% | 0.629 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | -121.5 | -167.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y1291 L1320 | G1289-Y1291 VanDerWaalsContact C-N 3.25Å; G1289-Y1291 PolarHBondContact O-N 2.95Å; G1289-L1320 WeakPolarHBondContact O-CD1 3.39Å |
| 1290 | Y | 86.5 | Confident | 80.3 | Confident | 68 Ų | 68 | 43.5 Ų | 43.5 | 27% | 0.267 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 15.7 | 178.8 | -47.3 | -57.4 | 0 | 0 | 0 | 114.3 | D1288 F1305 I1306 V1390 S1392 | D1288-Y1290 PolarHBondContact O-N 2.85Å; Y1290-F1305 HydrophobicContact CG-CE2 4.43Å; Y1290-I1306 WeakPolarHBondContact O-CB 3.32Å; Y1290-I1306 PolarHBondContact O-N 3.12Å; Y1290-V1390 HydrophobicContact CD1-CG1 4.06Å; Y1290-V1390 HydrophobicContact CD1-CG2 4Å; Y1290-V1390 HydrophobicContact CE1-CG1 4.43Å; Y1290-V1390 HydrophobicContact CE1-CG2 4.17Å; Y1290-V1390 HydrophobicContact CG-CG1 4.13Å; Y1290-S1392 VanDerWaalsContact OH-CA 3.26Å; Y1290-S1392 WeakPolarHBondContact OH-CA 3.5Å; Y1290-S1392 WeakPolarHBondContact OH-CB 3.49Å |
| 1291 | Y | 89.1 | Confident | 80.2 | Confident | 39 Ų | 39 | 47.5 Ų | 47.5 | 15% | 0.153 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 140.4 | -179.6 | -64.1 | -91 | 0 | 0 | 0 | 112.1 | T1287 D1288 G1289 R1303 V1304 F1305 F1357 P1405 | T1287-Y1291 CarbonylContact C-O 3.6Å; T1287-Y1291 WeakPolarHBondContact CA-O 3.44Å; D1288-Y1291 PolarHBondContact N-O 2.62Å; D1288-Y1291 WeakPolarHBondContact O-CB 3.46Å; D1288-Y1291 PolarHBondContact O-N 2.79Å; G1289-Y1291 VanDerWaalsContact C-N 3.25Å; G1289-Y1291 PolarHBondContact O-N 2.95Å; Y1291-R1303 HydrophobicContact CD1-CB 4.21Å; Y1291-R1303 HydrophobicContact CD1-CG 3.88Å; Y1291-R1303 HydrophobicContact CE1-CG 4.42Å; Y1291-V1304 CarbonylContact C-O 3.32Å; Y1291-V1304 VanDerWaalsContact CA-O 3.27Å; Y1291-V1304 WeakPolarHBondContact CA-O 3.46Å; Y1291-F1305 HydrophobicContact CD1-CB 4.05Å; Y1291-F1305 HydrophobicContact CD1-CD2 4.12Å; Y1291-F1305 HydrophobicContact CE1-CB 3.88Å; Y1291-F1305 AromaticContact CE1-CD2 3.72Å; Y1291-F1305 HydrophobicContact CE1-CD2 3.72Å; Y1291-F1305 HydrophobicContact CE1-CG 4.26Å; Y1291-F1305 HydrophobicContact CE2-CD2 4.11Å; Y1291-F1305 AromaticContact CZ-CD2 3.7Å; Y1291-F1357 HydrophobicContact CE1-CD1 4.35Å; Y1291-F1357 HydrophobicContact CE1-CE1 4.05Å; Y1291-P1405 HydrophobicContact CE1-CG 4.11Å; Y1291-P1405 WeakPolarHBondContact OH-CB 3.44Å |
| 1292 | L | 87.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 118.4 | 165.4 | -167.4 | 68 | 0 | 0 | 0 | 108.6 | V1284 T1287 L1294 R1303 V1304 L1309 L1320 F1323 L1360 | V1284-L1292 HydrophobicContact CG1-CD1 3.58Å; V1284-L1292 HydrophobicContact CG1-CD2 4.48Å; V1284-L1292 HydrophobicContact CG1-CG 4Å; V1284-L1292 HydrophobicContact CG2-CD1 4.42Å; V1284-L1292 HydrophobicContact CG2-CD2 3.83Å; V1284-L1292 HydrophobicContact CG2-CG 4.17Å; T1287-L1292 HydrophobicContact CG2-CD1 3.9Å; L1292-L1294 HydrophobicContact CD2-CD2 4.35Å; L1292-L1294 HydrophobicContact CG-CD2 4.44Å; L1292-R1303 CarbonylContact O-C 3.56Å; L1292-R1303 WeakPolarHBondContact O-CA 3.11Å; L1292-V1304 HydrophobicContact CB-CB 4.39Å; L1292-V1304 PolarHBondContact N-O 3.03Å; L1292-V1304 PolarHBondContact O-N 2.78Å; L1292-L1309 HydrophobicContact CB-CD2 4.34Å; L1292-L1309 HydrophobicContact CD2-CD2 3.84Å; L1292-L1320 HydrophobicContact CB-CD2 4.37Å; L1292-L1320 HydrophobicContact CD1-CD2 4.47Å; L1292-F1323 HydrophobicContact CD1-CB 3.79Å; L1292-F1323 HydrophobicContact CD1-CG 4.47Å; L1292-F1323 HydrophobicContact CD2-CB 3.98Å; L1292-F1323 HydrophobicContact CD2-CD1 4.1Å; L1292-F1323 HydrophobicContact CD2-CD2 4.27Å; L1292-F1323 HydrophobicContact CD2-CG 3.86Å; L1292-L1360 HydrophobicContact CD2-CD1 4.03Å |
| 1293 | K | 89.1 | Confident | 80.8 | Confident | 82 Ų | 82 | 47 Ų | 47 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 136.2 | 178.2 | -74.1 | 173.6 | 166.6 | 132.9 | 0 | 110.2 | V1284 T1285 G1286 T1287 D1288 | V1284-K1293 WeakPolarHBondContact CA-O 3.32Å; T1285-K1293 PolarHBondContact N-O 2.9Å; T1285-K1293 WeakPolarHBondContact OG1-CB 3.44Å; T1285-K1293 PolarHBondContact OG1-O 3.34Å; G1286-K1293 WeakPolarHBondContact O-CA 3.35Å; G1286-K1293 WeakPolarHBondContact O-CB 3.4Å; G1286-K1293 PolarHBondContact O-N 3.46Å; T1287-K1293 PolarHBondContact O-NZ 3.33Å; D1288-K1293 HydrophobicContact CB-CD 3.93Å; D1288-K1293 HydrophobicContact CB-CG 3.84Å; D1288-K1293 VanDerWaalsContact CG-CE 3.45Å; D1288-K1293 VanDerWaalsContact CG-NZ 3.29Å; D1288-K1293 IonicContact OD1-NZ 3.37Å; D1288-K1293 PolarHBondContact OD1-NZ 3.32Å; D1288-K1293 WeakPolarHBondContact OD2-CE 3.37Å; D1288-K1293 IonicContact OD2-NZ 3.78Å |
| 1294 | L | 88.2 | Confident | 81.5 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 144.6 | -174.3 | -60 | 173.8 | 0 | 0 | 0 | 112.3 | A1282 I1283 V1284 L1292 I1296 G1302 V1304 V1329 V1331 C1358 | A1282-L1294 HydrophobicContact CB-CB 4.2Å; A1282-L1294 HydrophobicContact CB-CD1 4.42Å; A1282-L1294 HydrophobicContact CB-CD2 4.36Å; I1283-L1294 CarbonylContact O-C 3.6Å; I1283-L1294 WeakPolarHBondContact O-CA 3.23Å; V1284-L1294 HydrophobicContact CG2-CD2 3.89Å; L1292-L1294 HydrophobicContact CD2-CD2 4.35Å; L1292-L1294 HydrophobicContact CG-CD2 4.44Å; L1294-I1296 HydrophobicContact CB-CG1 4.28Å; L1294-G1302 PolarHBondContact N-O 3.5Å; L1294-G1302 PolarHBondContact O-N 3.04Å; L1294-V1304 HydrophobicContact CD1-CG2 3.51Å; L1294-V1329 HydrophobicContact CD2-CG2 3.74Å; L1294-V1331 HydrophobicContact CD1-CB 4.42Å; L1294-V1331 HydrophobicContact CD1-CG1 3.74Å; L1294-V1331 HydrophobicContact CD1-CG2 4.36Å; L1294-C1358 HydrophobicContact CD1-CB 4.34Å |
| 1295 | L | 82.5 | Confident | 81.9 | Confident | 44 Ų | 44 | 46 Ų | 46 | 23% | 0.23 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 100.8 | 163.9 | -174 | 69 | 0 | 0 | 0 | 109.3 | A1282 I1283 T1285 | A1282-L1295 VanDerWaalsContact CA-O 3.29Å; A1282-L1295 WeakPolarHBondContact CA-O 3.48Å; I1283-L1295 PolarHBondContact N-O 3.43Å; I1283-L1295 PolarHBondContact O-N 3.32Å; T1285-L1295 HydrophobicContact CG2-CB 3.66Å |
| 1296 | I | 81 | Confident | 82.4 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 128.6 | -175.5 | -50 | 176.1 | 0 | 0 | 0 | 109.8 | L1274 Y1280 A1282 L1294 G1298 R1299 H1300 V1331 A1356 C1358 | L1274-I1296 HydrophobicContact CD2-CB 4.5Å; L1274-I1296 HydrophobicContact CD2-CG2 3.76Å; Y1280-I1296 HydrophobicContact CD2-CG2 4.25Å; Y1280-I1296 HydrophobicContact CG-CG2 3.85Å; A1282-I1296 HydrophobicContact CB-CB 4.27Å; A1282-I1296 HydrophobicContact CB-CG1 3.88Å; A1282-I1296 HydrophobicContact CB-CG2 4.48Å; L1294-I1296 HydrophobicContact CB-CG1 4.28Å; I1296-G1298 PolarHBondContact O-N 3.29Å; I1296-R1299 PolarHBondContact O-N 3.12Å; I1296-R1299 VanDerWaalsContact O-N 3.08Å; I1296-H1300 HydrophobicContact CB-CB 4.35Å; I1296-H1300 PolarHBondContact N-O 2.93Å; I1296-H1300 PolarHBondContact O-N 3.19Å; I1296-V1331 HydrophobicContact CD1-CG2 4.29Å; I1296-V1331 HydrophobicContact CG1-CG2 4.3Å; I1296-A1356 HydrophobicContact CD1-CB 3.64Å; I1296-C1358 VanDerWaalsContact CD1-SG 3.5Å |
| 1297 | A | 68.5 | Low | 82.8 | Confident | 24 Ų | 24 | 43.6 Ų | 43.6 | 20% | 0.198 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 29.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1281 R1299 | N1281-A1297 PolarHBondContact O-N 3.07Å; A1297-R1299 PolarHBondContact O-N 3.46Å; A1297-R1299 VanDerWaalsContact O-N 3.12Å |
| 1298 | G | 61.9 | Low | 83.3 | Confident | 30 Ų | 30 | 40.6 Ų | 40.6 | 31% | 0.309 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 2.2 | -179 | 0 | 0 | 0 | 0 | 0 | 116.2 | I1296 | I1296-G1298 PolarHBondContact O-N 3.29Š|
| 1299 | R | 66.9 | Low | 83.8 | Confident | 163 Ų | 163 | 37.2 Ų | 37.2 | 62% | 0.615 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -131.9 | -32.8 | -174.4 | -73.3 | -173.2 | 175.3 | 172.4 | 0.8 | 115.4 | K1270 I1296 A1297 | K1270-R1299 PolarHBondContact O-NH1 3.28Å; I1296-R1299 PolarHBondContact O-N 3.12Å; I1296-R1299 VanDerWaalsContact O-N 3.08Å; A1297-R1299 PolarHBondContact O-N 3.46Å; A1297-R1299 VanDerWaalsContact O-N 3.12Å |
| 1300 | H | 75 | Confident | 84 | Confident | 63 Ų | 63 | 39.1 Ų | 39.1 | 29% | 0.292 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 129.7 | -168 | -64.1 | -69.3 | 0 | 0 | 0 | 111.5 | L1274 I1296 G1302 | L1274-H1300 HydrophobicContact CD1-CB 3.22Å; L1274-H1300 VanDerWaalsContact CD1-CG 3.41Å; L1274-H1300 HydrophobicContact CG-CB 4.01Å; I1296-H1300 HydrophobicContact CB-CB 4.35Å; I1296-H1300 PolarHBondContact N-O 2.93Å; I1296-H1300 PolarHBondContact O-N 3.19Å; H1300-G1302 PolarHBondContact O-N 2.86Å |
| 1301 | Q | 81.2 | Confident | 83.6 | Confident | 110 Ų | 110 | 38.5 Ų | 38.5 | 51% | 0.514 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 126.1 | 177.1 | -70.4 | -178.6 | -19.9 | 0 | 0 | 110.3 | I1355 A1356 | Q1301-I1355 HydrophobicContact CB-CG1 4.39Å; Q1301-I1355 WeakPolarHBondContact O-CA 3.39Å; Q1301-A1356 PolarHBondContact O-N 3.42Å |
| 1302 | G | 87 | Confident | 83.2 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 167.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1294 H1300 A1356 | L1294-G1302 PolarHBondContact N-O 3.5Å; L1294-G1302 PolarHBondContact O-N 3.04Å; H1300-G1302 PolarHBondContact O-N 2.86Å; G1302-A1356 CarbonylContact C-O 3.57Å; G1302-A1356 WeakPolarHBondContact CA-O 3.34Å |
| 1303 | R | 91.8 | Very high | 83 | Confident | 63 Ų | 63 | 44.5 Ų | 44.5 | 24% | 0.238 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 147 | 172.3 | 63 | -173.7 | -173.6 | 173.3 | 8.2 | 112.6 | Y1291 L1292 I1355 A1356 F1357 C1358 | Y1291-R1303 HydrophobicContact CD1-CB 4.21Å; Y1291-R1303 HydrophobicContact CD1-CG 3.88Å; Y1291-R1303 HydrophobicContact CE1-CG 4.42Å; L1292-R1303 CarbonylContact O-C 3.56Å; L1292-R1303 WeakPolarHBondContact O-CA 3.11Å; R1303-I1355 HydrophobicContact CG-CG2 4.33Å; R1303-A1356 PolarHBondContact N-O 2.82Å; R1303-F1357 HydrophobicContact CG-CD1 4.21Å; R1303-F1357 HydrophobicContact CG-CE1 4.39Å; R1303-F1357 VanDerWaalsContact NH2-CE1 3.26Å; R1303-F1357 WeakPolarHBondContact O-CA 3.44Å; R1303-C1358 PolarHBondContact O-N 2.65Å |
| 1304 | V | 91.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 130 | 175.3 | 179.2 | 0 | 0 | 0 | 0 | 108.3 | Y1291 L1292 L1294 E1308 L1309 V1331 C1358 L1360 | Y1291-V1304 CarbonylContact C-O 3.32Å; Y1291-V1304 VanDerWaalsContact CA-O 3.27Å; Y1291-V1304 WeakPolarHBondContact CA-O 3.46Å; L1292-V1304 HydrophobicContact CB-CB 4.39Å; L1292-V1304 PolarHBondContact N-O 3.03Å; L1292-V1304 PolarHBondContact O-N 2.78Å; L1294-V1304 HydrophobicContact CD1-CG2 3.51Å; V1304-E1308 HydrophobicContact CG1-CB 3.92Å; V1304-L1309 HydrophobicContact CB-CD2 4.28Å; V1304-L1309 HydrophobicContact CG1-CD2 3.74Å; V1304-L1309 HydrophobicContact CG1-CG 4.36Å; V1304-V1331 HydrophobicContact CG2-CG1 4.47Å; V1304-C1358 HydrophobicContact CG2-CB 3.65Å; V1304-L1360 HydrophobicContact CB-CD1 4.4Å; V1304-L1360 HydrophobicContact CG1-CB 4.48Å; V1304-L1360 HydrophobicContact CG1-CD1 4.26Å; V1304-L1360 HydrophobicContact CG2-CD1 4.05Å; V1304-L1360 HydrophobicContact CG2-CG 4.24Å |
| 1305 | F | 92.5 | Very high | 82.2 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.009 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 146 | 175.1 | -175.5 | -103.2 | 0 | 0 | 0 | 110.2 | Y1290 Y1291 T1307 E1308 V1390 Q1402 P1405 | Y1290-F1305 HydrophobicContact CG-CE2 4.43Å; Y1291-F1305 HydrophobicContact CD1-CB 4.05Å; Y1291-F1305 HydrophobicContact CD1-CD2 4.12Å; Y1291-F1305 HydrophobicContact CE1-CB 3.88Å; Y1291-F1305 AromaticContact CE1-CD2 3.72Å; Y1291-F1305 HydrophobicContact CE1-CD2 3.72Å; Y1291-F1305 HydrophobicContact CE1-CG 4.26Å; Y1291-F1305 HydrophobicContact CE2-CD2 4.11Å; Y1291-F1305 AromaticContact CZ-CD2 3.7Å; F1305-T1307 VanDerWaalsContact C-N 3.28Å; F1305-T1307 HydrophobicContact CD1-CG2 4.38Å; F1305-T1307 WeakPolarHBondContact CD1-OG1 3.22Å; F1305-T1307 HydrophobicContact CE1-CG2 3.88Å; F1305-T1307 VanDerWaalsContact CE1-OG1 3.26Å; F1305-T1307 WeakPolarHBondContact CE1-OG1 3.35Å; F1305-T1307 PolarHBondContact O-N 3.39Å; F1305-T1307 VanDerWaalsContact O-N 3.13Å; F1305-E1308 WeakPolarHBondContact O-CA 3.39Å; F1305-E1308 WeakPolarHBondContact O-CB 3.32Å; F1305-E1308 PolarHBondContact O-N 2.93Å; F1305-V1390 HydrophobicContact CZ-CG1 4.15Å; F1305-Q1402 HydrophobicContact CE2-CG 4.01Å; F1305-Q1402 HydrophobicContact CZ-CB 4.05Å; F1305-Q1402 HydrophobicContact CZ-CG 3.52Å; F1305-P1405 HydrophobicContact CB-CG 3.65Å; F1305-P1405 HydrophobicContact CD1-CG 4.15Å; F1305-P1405 HydrophobicContact CD2-CG 3.81Å; F1305-P1405 HydrophobicContact CG-CG 3.59Å |
| 1306 | I | 89.9 | Confident | 82.1 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -53.9 | -36.7 | -170.8 | -163.3 | -179.6 | 0 | 0 | 0 | 114.5 | Y1290 E1308 L1309 L1319 L1320 V1390 L1435 | Y1290-I1306 WeakPolarHBondContact O-CB 3.32Å; Y1290-I1306 PolarHBondContact O-N 3.12Å; I1306-E1308 PolarHBondContact O-N 3.22Å; I1306-L1309 HydrophobicContact CB-CD1 4.46Å; I1306-L1309 HydrophobicContact CG1-CD1 3.92Å; I1306-L1309 WeakPolarHBondContact O-CB 3.42Å; I1306-L1309 WeakPolarHBondContact O-CG 3.31Å; I1306-L1309 PolarHBondContact O-N 2.84Å; I1306-L1319 HydrophobicContact CG1-CB 4.44Å; I1306-L1320 HydrophobicContact CD1-CD1 3.98Å; I1306-L1320 HydrophobicContact CD1-CG 3.81Å; I1306-L1320 HydrophobicContact CG1-CD1 4.45Å; I1306-L1320 HydrophobicContact CG1-CD2 4.28Å; I1306-L1320 HydrophobicContact CG1-CG 3.96Å; I1306-V1390 HydrophobicContact CD1-CG2 4.27Å; I1306-V1390 HydrophobicContact CG2-CB 3.88Å; I1306-V1390 HydrophobicContact CG2-CG1 3.87Å; I1306-V1390 HydrophobicContact CG2-CG2 4.27Å; I1306-L1435 HydrophobicContact CD1-CD1 4.33Å; I1306-L1435 HydrophobicContact CD1-CG 4.2Å; I1306-L1435 HydrophobicContact CG1-CD1 4.06Å; I1306-L1435 HydrophobicContact CG1-CG 4.37Å; I1306-L1435 HydrophobicContact CG2-CD2 4.21Å |
| 1307 | T | 89.6 | Confident | 82.1 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -75.5 | -3.9 | 177.1 | 61.3 | 0 | 0 | 0 | 0 | 114.2 | F1305 K1361 V1403 L1435 | F1305-T1307 VanDerWaalsContact C-N 3.28Å; F1305-T1307 HydrophobicContact CD1-CG2 4.38Å; F1305-T1307 WeakPolarHBondContact CD1-OG1 3.22Å; F1305-T1307 HydrophobicContact CE1-CG2 3.88Å; F1305-T1307 VanDerWaalsContact CE1-OG1 3.26Å; F1305-T1307 WeakPolarHBondContact CE1-OG1 3.35Å; F1305-T1307 PolarHBondContact O-N 3.39Å; F1305-T1307 VanDerWaalsContact O-N 3.13Å; T1307-K1361 WeakPolarHBondContact O-CE 3.29Å; T1307-K1361 PolarHBondContact O-NZ 3.03Å; T1307-V1403 WeakPolarHBondContact CG2-O 3.39Å; T1307-V1403 PolarHBondContact OG1-O 2.78Å; T1307-L1435 HydrophobicContact CG2-CD2 3.59Å |
| 1308 | E | 89.9 | Confident | 82.8 | Confident | 8 Ų | 8 | 50.9 Ų | 50.9 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -105.1 | 10.9 | 175.7 | -66.8 | -67.6 | 149.2 | 0 | 0 | 112.8 | V1304 F1305 I1306 T1359 L1360 K1361 K1364 Y1377 | V1304-E1308 HydrophobicContact CG1-CB 3.92Å; F1305-E1308 WeakPolarHBondContact O-CA 3.39Å; F1305-E1308 WeakPolarHBondContact O-CB 3.32Å; F1305-E1308 PolarHBondContact O-N 2.93Å; I1306-E1308 PolarHBondContact O-N 3.22Å; E1308-T1359 PolarHBondContact O-OG1 2.92Å; E1308-T1359 WeakPolarHBondContact OE2-CB 3.35Å; E1308-T1359 PolarHBondContact OE2-OG1 3.32Å; E1308-L1360 CarbonylContact O-C 3.5Å; E1308-L1360 WeakPolarHBondContact O-CA 3.48Å; E1308-L1360 PolarHBondContact O-N 2.91Å; E1308-K1361 PolarHBondContact O-N 3.35Å; E1308-K1364 IonicContact OE1-NZ 2.65Å; E1308-K1364 PolarHBondContact OE1-NZ 3.13Å; E1308-K1364 WeakPolarHBondContact OE2-CD 3.31Å; E1308-K1364 WeakPolarHBondContact OE2-CE 3.49Å; E1308-K1364 IonicContact OE2-NZ 3.28Å; E1308-K1364 PolarHBondContact OE2-NZ 3.27Å; E1308-Y1377 HydrophobicContact CG-CD1 4.19Å; E1308-Y1377 HydrophobicContact CG-CE1 3.74Å |
| 1309 | L | 88.3 | Confident | 83.6 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -78.3 | -40.4 | -179.9 | -68.5 | 173.7 | 0 | 0 | 0 | 113.5 | L1292 V1304 I1306 L1319 L1320 F1323 L1360 | L1292-L1309 HydrophobicContact CB-CD2 4.34Å; L1292-L1309 HydrophobicContact CD2-CD2 3.84Å; V1304-L1309 HydrophobicContact CB-CD2 4.28Å; V1304-L1309 HydrophobicContact CG1-CD2 3.74Å; V1304-L1309 HydrophobicContact CG1-CG 4.36Å; I1306-L1309 HydrophobicContact CB-CD1 4.46Å; I1306-L1309 HydrophobicContact CG1-CD1 3.92Å; I1306-L1309 WeakPolarHBondContact O-CB 3.42Å; I1306-L1309 WeakPolarHBondContact O-CG 3.31Å; I1306-L1309 PolarHBondContact O-N 2.84Å; L1309-L1319 HydrophobicContact CB-CD1 4.1Å; L1309-L1319 HydrophobicContact CD1-CB 3.8Å; L1309-L1320 HydrophobicContact CD1-CD2 4.08Å; L1309-F1323 HydrophobicContact CB-CE2 4.2Å; L1309-F1323 HydrophobicContact CD1-CD2 4.36Å; L1309-F1323 HydrophobicContact CD1-CE2 4.04Å; L1309-F1323 HydrophobicContact CD2-CD2 4.34Å; L1309-F1323 HydrophobicContact CD2-CE2 3.9Å; L1309-F1323 HydrophobicContact CD2-CZ 4.24Å; L1309-F1323 HydrophobicContact CG-CE2 4.27Å; L1309-L1360 HydrophobicContact CD2-CD1 3.69Å; L1309-L1360 CarbonylContact O-C 3.53Å; L1309-L1360 WeakPolarHBondContact O-CB 3.28Å |
| 1310 | K | 85.7 | Confident | 84.3 | Confident | 101 Ų | 101 | 43.5 Ų | 43.5 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | trans | -145.5 | 156 | -179.1 | -75.8 | -174.1 | 177.2 | 177.9 | 0 | 110.8 | V1313 L1319 K1361 | K1310-V1313 HydrophobicContact CB-CG2 4.24Å; K1310-L1319 HydrophobicContact CB-CD1 4.5Å; K1310-L1319 HydrophobicContact CD-CD2 4.42Å; K1310-K1361 WeakPolarHBondContact O-CE 3.34Å | ||
| 1311 | D | 78.9 | Confident | 84.2 | Confident | 55 Ų | 55 | 46.9 Ų | 46.9 | 29% | 0.294 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -76.5 | -54.1 | 178 | -71.9 | -53.1 | 0 | 0 | 0 | 112.5 | K1361 E1362 S1363 | D1311-K1361 VanDerWaalsContact OD1-CB 3.27Å; D1311-K1361 WeakPolarHBondContact OD1-CB 3.4Å; D1311-K1361 WeakPolarHBondContact OD1-CD 3.29Å; D1311-K1361 VanDerWaalsContact OD1-CG 3.29Å; D1311-K1361 WeakPolarHBondContact OD1-CG 3.44Å; D1311-E1362 PolarHBondContact OD2-N 2.99Å; D1311-S1363 WeakPolarHBondContact OD1-CB 3.41Å; D1311-S1363 PolarHBondContact OD1-OG 2.8Å; D1311-S1363 VanDerWaalsContact OD2-CB 3.31Å; D1311-S1363 WeakPolarHBondContact OD2-CB 3.31Å; D1311-S1363 PolarHBondContact OD2-N 3.39Å; D1311-S1363 PolarHBondContact OD2-OG 2.8Å |
| 1312 | N | 80.4 | Confident | 84.1 | Confident | 152 Ų | 152 | 45.3 Ų | 45.3 | 81% | 0.813 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -102.4 | 101.3 | 178.8 | -67.3 | -26.3 | 0 | 0 | 0 | 109 | ||
| 1313 | V | 83.3 | Confident | 83.7 | Confident | 12 Ų | 12 | 46.6 Ų | 46.6 | 7% | 0.073 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -99.2 | 128.9 | -179.3 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | K1310 S1317 L1319 L1435 H1437 | K1310-V1313 HydrophobicContact CB-CG2 4.24Å; V1313-S1317 WeakPolarHBondContact CG1-OG 3.36Å; V1313-L1319 HydrophobicContact CB-CD1 4.35Å; V1313-L1319 HydrophobicContact CG1-CD1 3.71Å; V1313-L1319 HydrophobicContact CG1-CD2 4.41Å; V1313-L1319 HydrophobicContact CG1-CG 4.04Å; V1313-L1319 HydrophobicContact CG2-CD1 3.72Å; V1313-L1435 HydrophobicContact CG1-CB 4.02Å; V1313-L1435 HydrophobicContact CG1-CD1 3.7Å; V1313-L1435 HydrophobicContact CG2-CD1 4.44Å; V1313-H1437 PolarHBondContact O-CE1 2.93Å; V1313-H1437 PolarHBondContact O-NE2 3.38Å |
| 1314 | P | 79.4 | Confident | 82.9 | Confident | 84 Ų | 84 | 47.5 Ų | 47.5 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 134.1 | 171.9 | -19.5 | 31.3 | 0 | 0 | 0 | 111.4 | G1316 S1317 | P1314-G1316 PolarHBondContact O-N 3.46Å; P1314-S1317 WeakPolarHBondContact O-CB 3.2Å; P1314-S1317 PolarHBondContact O-N 2.98Å; P1314-S1317 PolarHBondContact O-OG 3.24Å |
| 1315 | D | 81.5 | Confident | 82.1 | Confident | 85 Ų | 85 | 54 Ų | 54 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 124.6 | 178.2 | -168.6 | 42.7 | 0 | 0 | 0 | 110.8 | R1436 H1437 | D1315-R1436 WeakPolarHBondContact OD1-CA 3.4Å; D1315-R1436 WeakPolarHBondContact OD1-CD 3.46Å; D1315-R1436 IonicContact OD2-NH1 2.71Å; D1315-H1437 IonicContact OD1-CG 2.89Å; D1315-H1437 PolarHBondContact OD1-N 3.43Å; D1315-H1437 IonicContact OD1-ND1 3.55Å |
| 1316 | G | 80.7 | Confident | 80.9 | Confident | 22 Ų | 22 | 56.3 Ų | 56.3 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 7.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | P1314 L1435 | P1314-G1316 PolarHBondContact O-N 3.46Å; G1316-L1435 VanDerWaalsContact CA-O 3.3Å; G1316-L1435 WeakPolarHBondContact CA-O 3.43Å; G1316-L1435 PolarHBondContact N-O 2.93Å |
| 1317 | S | 80.9 | Confident | 80.3 | Confident | 25 Ų | 25 | 58.4 Ų | 58.4 | 18% | 0.175 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -83.5 | 149.5 | -176.7 | 60.3 | 0 | 0 | 0 | 0 | 114.8 | V1313 P1314 L1435 | V1313-S1317 WeakPolarHBondContact CG1-OG 3.36Å; P1314-S1317 WeakPolarHBondContact O-CB 3.2Å; P1314-S1317 PolarHBondContact O-N 2.98Å; P1314-S1317 PolarHBondContact O-OG 3.24Å; S1317-L1435 PolarHBondContact O-N 3.06Å |
| 1318 | H | 81.8 | Confident | 79.7 | Confident | 74 Ų | 74 | 62.7 Ų | 62.7 | 34% | 0.343 | 35% | 0.354 | S | S | . | . | trans | -102.5 | 85.5 | 172.8 | -73.3 | -68 | 0 | 0 | 0 | 110.4 | L1320 Q1434 | H1318-L1320 VanDerWaalsContact C-N 3.35Å; H1318-L1320 PolarHBondContact O-N 3.41Å; H1318-Q1434 WeakPolarHBondContact CE1-CG 3.47Å; H1318-Q1434 VanDerWaalsContact NE2-CG 3.31Å; H1318-Q1434 WeakPolarHBondContact NE2-CG 3.4Å | ||
| 1319 | L | 78.8 | Confident | 79.4 | Confident | 8 Ų | 8 | 63 Ų | 63 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -70.3 | -23.7 | -170.9 | -73.9 | -175.4 | 0 | 0 | 0 | 114.9 | I1306 L1309 K1310 V1313 D1321 T1322 F1323 L1435 | I1306-L1319 HydrophobicContact CG1-CB 4.44Å; L1309-L1319 HydrophobicContact CB-CD1 4.1Å; L1309-L1319 HydrophobicContact CD1-CB 3.8Å; K1310-L1319 HydrophobicContact CB-CD1 4.5Å; K1310-L1319 HydrophobicContact CD-CD2 4.42Å; V1313-L1319 HydrophobicContact CB-CD1 4.35Å; V1313-L1319 HydrophobicContact CG1-CD1 3.71Å; V1313-L1319 HydrophobicContact CG1-CD2 4.41Å; V1313-L1319 HydrophobicContact CG1-CG 4.04Å; V1313-L1319 HydrophobicContact CG2-CD1 3.72Å; L1319-D1321 VanDerWaalsContact C-N 3.26Å; L1319-D1321 PolarHBondContact O-N 3.24Å; L1319-T1322 PolarHBondContact O-N 2.75Å; L1319-T1322 PolarHBondContact O-OG1 2.8Å; L1319-F1323 WeakPolarHBondContact O-CD2 3.3Å; L1319-L1435 HydrophobicContact CB-CD1 4.22Å; L1319-L1435 HydrophobicContact CD1-CD1 3.42Å; L1319-L1435 VanDerWaalsContact CD1-CD1 3.42Å; L1319-L1435 HydrophobicContact CG-CD1 3.76Å |
| 1320 | L | 81.7 | Confident | 79.2 | Confident | 30 Ų | 30 | 65.7 Ų | 65.7 | 16% | 0.157 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -64.4 | -33.8 | -177.1 | -70.6 | 171.8 | 0 | 0 | 0 | 112.1 | T1287 G1289 L1292 I1306 L1309 H1318 T1322 F1323 | T1287-L1320 HydrophobicContact CG2-CB 4.28Å; T1287-L1320 HydrophobicContact CG2-CD2 4.14Å; G1289-L1320 WeakPolarHBondContact O-CD1 3.39Å; L1292-L1320 HydrophobicContact CB-CD2 4.37Å; L1292-L1320 HydrophobicContact CD1-CD2 4.47Å; I1306-L1320 HydrophobicContact CD1-CD1 3.98Å; I1306-L1320 HydrophobicContact CD1-CG 3.81Å; I1306-L1320 HydrophobicContact CG1-CD1 4.45Å; I1306-L1320 HydrophobicContact CG1-CD2 4.28Å; I1306-L1320 HydrophobicContact CG1-CG 3.96Å; L1309-L1320 HydrophobicContact CD1-CD2 4.08Å; H1318-L1320 VanDerWaalsContact C-N 3.35Å; H1318-L1320 PolarHBondContact O-N 3.41Å; L1320-T1322 PolarHBondContact O-N 3.01Å; L1320-T1322 VanDerWaalsContact O-N 3.17Å; L1320-F1323 PolarHBondContact O-N 3.02Å |
| 1321 | D | 74.3 | Confident | 79.3 | Confident | 134 Ų | 134 | 60.9 Ų | 60.9 | 72% | 0.717 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -66.6 | -17.7 | 179.8 | -58.7 | -23.1 | 0 | 0 | 0 | 112.9 | L1319 F1323 | L1319-D1321 VanDerWaalsContact C-N 3.26Å; L1319-D1321 PolarHBondContact O-N 3.24Å; D1321-F1323 VanDerWaalsContact C-N 3.25Å; D1321-F1323 PolarHBondContact O-N 2.88Å |
| 1322 | T | 77.9 | Confident | 79.7 | Confident | 77 Ų | 77 | 58.7 Ų | 58.7 | 47% | 0.472 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -78 | -4.5 | 177.2 | 58.9 | 0 | 0 | 0 | 0 | 114.4 | L1319 L1320 P1324 | L1319-T1322 PolarHBondContact O-N 2.75Å; L1319-T1322 PolarHBondContact O-OG1 2.8Å; L1320-T1322 PolarHBondContact O-N 3.01Å; L1320-T1322 VanDerWaalsContact O-N 3.17Å; T1322-P1324 WeakPolarHBondContact O-CD 3.35Å |
| 1323 | F | 79.2 | Confident | 80.1 | Confident | 31 Ų | 31 | 51.4 Ų | 51.4 | 14% | 0.136 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -121.6 | 79.8 | -177.9 | -65.2 | -86.3 | 0 | 0 | 0 | 112 | V1284 L1292 L1309 L1319 L1320 D1321 V1329 L1360 | V1284-F1323 HydrophobicContact CG2-CB 4.46Å; L1292-F1323 HydrophobicContact CD1-CB 3.79Å; L1292-F1323 HydrophobicContact CD1-CG 4.47Å; L1292-F1323 HydrophobicContact CD2-CB 3.98Å; L1292-F1323 HydrophobicContact CD2-CD1 4.1Å; L1292-F1323 HydrophobicContact CD2-CD2 4.27Å; L1292-F1323 HydrophobicContact CD2-CG 3.86Å; L1309-F1323 HydrophobicContact CB-CE2 4.2Å; L1309-F1323 HydrophobicContact CD1-CD2 4.36Å; L1309-F1323 HydrophobicContact CD1-CE2 4.04Å; L1309-F1323 HydrophobicContact CD2-CD2 4.34Å; L1309-F1323 HydrophobicContact CD2-CE2 3.9Å; L1309-F1323 HydrophobicContact CD2-CZ 4.24Å; L1309-F1323 HydrophobicContact CG-CE2 4.27Å; L1319-F1323 WeakPolarHBondContact O-CD2 3.3Å; L1320-F1323 PolarHBondContact O-N 3.02Å; D1321-F1323 VanDerWaalsContact C-N 3.25Å; D1321-F1323 PolarHBondContact O-N 2.88Å; F1323-V1329 HydrophobicContact CD1-CG1 4.08Å; F1323-V1329 HydrophobicContact CE1-CG1 4.15Å; F1323-L1360 HydrophobicContact CE1-CD1 4.28Å; F1323-L1360 HydrophobicContact CZ-CD1 4.44Å |
| 1324 | P | 74.1 | Confident | 80.1 | Confident | 82 Ų | 82 | 51.5 Ų | 51.5 | 53% | 0.532 | 30% | 0.301 | S | S | . | . | trans | -61.9 | 152.1 | 177.5 | 21.7 | -28.8 | 0 | 0 | 0 | 112.4 | T1322 G1326 T1327 | T1322-P1324 WeakPolarHBondContact O-CD 3.35Å; P1324-G1326 PolarHBondContact O-N 2.9Å; P1324-T1327 WeakPolarHBondContact CD-OG1 3.43Å; P1324-T1327 WeakPolarHBondContact CG-OG1 3.19Å; P1324-T1327 VanDerWaalsContact O-CB 3.32Å; P1324-T1327 WeakPolarHBondContact O-CB 3.34Å; P1324-T1327 PolarHBondContact O-N 2.98Å; P1324-T1327 VanDerWaalsContact O-N 3.14Å; P1324-T1327 PolarHBondContact O-OG1 3Å | ||
| 1325 | E | 74.7 | Confident | 80.3 | Confident | 137 Ų | 137 | 50.5 Ų | 50.5 | 64% | 0.64 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 133.3 | 177.2 | -63.1 | -172.8 | 172 | 0 | 0 | 111.1 | G1286 | G1286-E1325 VanDerWaalsContact CA-OE1 3.24Å; G1286-E1325 WeakPolarHBondContact CA-OE1 3.47Å |
| 1326 | G | 68.4 | Low | 80.2 | Confident | 50 Ų | 50 | 48.5 Ų | 48.5 | 52% | 0.515 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.5 | -9.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | V1284 P1324 L1328 | V1284-G1326 PolarHBondContact O-N 2.85Å; P1324-G1326 PolarHBondContact O-N 2.9Å; G1326-L1328 PolarHBondContact O-N 3.33Å |
| 1327 | T | 77.3 | Confident | 79.8 | Confident | 46 Ų | 46 | 53.3 Ų | 53.3 | 28% | 0.282 | 29% | 0.293 | S | S | . | . | trans | -62.2 | 126.6 | 178.4 | -53.9 | 0 | 0 | 0 | 0 | 110.9 | V1284 P1324 V1329 | V1284-T1327 PolarHBondContact N-O 2.92Å; P1324-T1327 WeakPolarHBondContact CD-OG1 3.43Å; P1324-T1327 WeakPolarHBondContact CG-OG1 3.19Å; P1324-T1327 VanDerWaalsContact O-CB 3.32Å; P1324-T1327 WeakPolarHBondContact O-CB 3.34Å; P1324-T1327 PolarHBondContact O-N 2.98Å; P1324-T1327 VanDerWaalsContact O-N 3.14Å; P1324-T1327 PolarHBondContact O-OG1 3Å; T1327-V1329 HydrophobicContact CG2-CG1 4.03Å | ||
| 1328 | L | 76.6 | Confident | 78.8 | Confident | 100 Ų | 100 | 55.3 Ų | 55.3 | 52% | 0.524 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 123.5 | 173.2 | -165.8 | 85 | 0 | 0 | 0 | 109.1 | I1266 I1283 G1326 | I1266-L1328 HydrophobicContact CD1-CD1 3.72Å; I1283-L1328 HydrophobicContact CG1-CD1 3.84Å; G1326-L1328 PolarHBondContact O-N 3.33Å |
| 1329 | V | 82.5 | Confident | 77 | Confident | 14 Ų | 14 | 57.8 Ų | 57.8 | 9% | 0.085 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 143.2 | -178.9 | -65.4 | 0 | 0 | 0 | 0 | 110.7 | A1282 V1284 L1294 F1323 T1327 V1331 L1360 | A1282-V1329 HydrophobicContact CB-CG2 4.32Å; A1282-V1329 PolarHBondContact N-O 2.9Å; A1282-V1329 PolarHBondContact O-N 3.41Å; A1282-V1329 VanDerWaalsContact O-O 3.09Å; V1284-V1329 HydrophobicContact CG2-CG1 4.12Å; V1284-V1329 HydrophobicContact CG2-CG2 4.02Å; L1294-V1329 HydrophobicContact CD2-CG2 3.74Å; F1323-V1329 HydrophobicContact CD1-CG1 4.08Å; F1323-V1329 HydrophobicContact CE1-CG1 4.15Å; T1327-V1329 HydrophobicContact CG2-CG1 4.03Å; V1329-V1331 HydrophobicContact CG2-CG1 3.87Å; V1329-L1360 HydrophobicContact CB-CD2 3.87Å; V1329-L1360 HydrophobicContact CG1-CD2 4.48Å; V1329-L1360 HydrophobicContact CG2-CD2 4.35Å |
| 1330 | T | 84.2 | Confident | 75.1 | Confident | 61 Ų | 61 | 65 Ų | 65 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 121.7 | 173.7 | -54 | 0 | 0 | 0 | 0 | 109.1 | L1279 N1281 L1360 | L1279-T1330 HydrophobicContact CD2-CG2 3.54Å; L1279-T1330 HydrophobicContact CG-CG2 4.03Å; N1281-T1330 PolarHBondContact OD1-OG1 2.87Å; T1330-L1360 VanDerWaalsContact O-CD2 3.29Å; T1330-L1360 WeakPolarHBondContact O-CD2 3.46Å |
| 1331 | V | 88.9 | Confident | 73 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 143 | -172.4 | -61.4 | 0 | 0 | 0 | 0 | 111.5 | Y1280 A1282 L1294 I1296 V1304 V1329 C1358 L1360 | Y1280-V1331 PolarHBondContact N-O 2.8Å; Y1280-V1331 WeakPolarHBondContact O-CG2 3.4Å; Y1280-V1331 PolarHBondContact O-N 3.45Å; A1282-V1331 HydrophobicContact CB-CG1 4.31Å; A1282-V1331 HydrophobicContact CB-CG2 3.76Å; L1294-V1331 HydrophobicContact CD1-CB 4.42Å; L1294-V1331 HydrophobicContact CD1-CG1 3.74Å; L1294-V1331 HydrophobicContact CD1-CG2 4.36Å; I1296-V1331 HydrophobicContact CD1-CG2 4.29Å; I1296-V1331 HydrophobicContact CG1-CG2 4.3Å; V1304-V1331 HydrophobicContact CG2-CG1 4.47Å; V1329-V1331 HydrophobicContact CG2-CG1 3.87Å; V1331-C1358 HydrophobicContact CB-CB 3.98Å; V1331-C1358 HydrophobicContact CG2-CB 4.3Å; V1331-L1360 HydrophobicContact CG1-CD1 4.46Å; V1331-L1360 HydrophobicContact CG1-CD2 3.76Å; V1331-L1360 HydrophobicContact CG1-CG 3.93Å |
| 1332 | K | 87.4 | Confident | 71.2 | Confident | 8 Ų | 8 | 69.4 Ų | 69.4 | 4% | 0.035 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 127.9 | 170.5 | -163.2 | 167 | -169.8 | 174 | 0 | 109.6 | L1277 G1278 L1279 I1334 C1358 T1359 K1364 I1365 N1370 I1375 | L1277-K1332 WeakPolarHBondContact O-CE 3.36Å; G1278-K1332 WeakPolarHBondContact O-CA 3.46Å; L1279-K1332 HydrophobicContact CD1-CB 3.83Å; L1279-K1332 HydrophobicContact CD1-CD 3.78Å; L1279-K1332 HydrophobicContact CD1-CG 3.84Å; K1332-I1334 PolarHBondContact O-N 2.88Å; K1332-C1358 CarbonylContact O-C 3.57Å; K1332-C1358 WeakPolarHBondContact O-CA 2.95Å; K1332-T1359 HydrophobicContact CB-CG2 4.1Å; K1332-T1359 PolarHBondContact N-O 3.25Å; K1332-T1359 VanDerWaalsContact N-O 3.16Å; K1332-T1359 PolarHBondContact O-N 2.97Å; K1332-K1364 VanDerWaalsContact CD-O 3.24Å; K1332-K1364 WeakPolarHBondContact CD-O 3.49Å; K1332-K1364 PolarHBondContact NZ-O 2.84Å; K1332-I1365 HydrophobicContact CB-CG1 4.25Å; K1332-I1365 PolarHBondContact NZ-O 2.84Å; K1332-I1365 VanDerWaalsContact NZ-O 3.1Å; K1332-N1370 PolarHBondContact NZ-OD1 3.47Å; K1332-I1375 HydrophobicContact CD-CD1 4.4Å |
| 1333 | V | 87.6 | Confident | 69.1 | Low | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 118 | -179.7 | 178.2 | 0 | 0 | 0 | 0 | 109.3 | L1274 L1277 G1278 Y1280 L1336 A1356 | L1274-V1333 HydrophobicContact CD2-CG2 4.34Å; L1277-V1333 WeakPolarHBondContact CA-O 3.36Å; L1277-V1333 PolarHBondContact N-O 3.4Å; G1278-V1333 PolarHBondContact O-N 2.89Å; Y1280-V1333 HydrophobicContact CD2-CG2 3.66Å; Y1280-V1333 HydrophobicContact CE2-CG2 3.72Å; V1333-L1336 HydrophobicContact CG1-CD2 4.32Å; V1333-L1336 HydrophobicContact CG1-CG 4.21Å; V1333-A1356 HydrophobicContact CG1-CB 4.18Å; V1333-A1356 HydrophobicContact CG2-CB 4.32Å |
| 1334 | I | 85 | Confident | 66.9 | Low | 14 Ų | 14 | 77 Ų | 77 | 7% | 0.072 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | -54.1 | 173.9 | -55.8 | 170.1 | 0 | 0 | 0 | 109.4 | K1332 F1357 T1359 I1375 Y1377 | K1332-I1334 PolarHBondContact O-N 2.88Å; I1334-F1357 WeakPolarHBondContact CB-O 3.3Å; I1334-F1357 PolarHBondContact N-O 3.35Å; I1334-T1359 HydrophobicContact CG1-CG2 4.11Å; I1334-I1375 HydrophobicContact CG1-CG2 4.41Å; I1334-Y1377 HydrophobicContact CD1-CD1 4.42Å; I1334-Y1377 HydrophobicContact CD1-CE1 3.79Å; I1334-Y1377 HydrophobicContact CD1-CE2 4.35Å |
| 1335 | H | 83.4 | Confident | 64.8 | Low | 63 Ų | 63 | 83.3 Ų | 83.3 | 29% | 0.292 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 161.5 | 178 | 72.6 | -74.2 | 0 | 0 | 0 | 112.3 | F1357 Y1377 | H1335-F1357 VanDerWaalsContact CE1-CB 3.49Å; H1335-F1357 WeakPolarHBondContact CE1-CB 3.38Å; H1335-F1357 AromaticContact CE1-CD2 3.55Å; H1335-F1357 AromaticContact CE1-CG 3.47Å; H1335-F1357 VanDerWaalsContact CE1-CG 3.47Å; H1335-F1357 WeakPolarHBondContact CE1-CG 3.48Å; H1335-F1357 PolarHBondContact N-O 2.8Å; H1335-F1357 AromaticContact NE2-CD2 3.46Å; H1335-F1357 WeakPolarHBondContact NE2-CD2 3.29Å; H1335-F1357 AromaticContact NE2-CE2 3.85Å; H1335-F1357 AromaticContact NE2-CG 3.89Å; H1335-F1357 PolarHBondContact O-N 2.97Å; H1335-Y1377 AromaticContact CE1-CE2 3.97Å |
| 1336 | L | 78.2 | Confident | 62.9 | Low | 43 Ų | 43 | 86.1 Ų | 86.1 | 23% | 0.225 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 118.2 | 178.1 | -67.5 | 160.6 | 0 | 0 | 0 | 109.2 | L1274 P1276 V1333 K1354 A1356 | L1274-L1336 HydrophobicContact CB-CD1 4.35Å; L1274-L1336 HydrophobicContact CB-CD2 4.2Å; L1274-L1336 HydrophobicContact CD1-CD2 4.07Å; L1274-L1336 WeakPolarHBondContact O-CD1 3.33Å; P1276-L1336 HydrophobicContact CG-CD1 4.12Å; V1333-L1336 HydrophobicContact CG1-CD2 4.32Å; V1333-L1336 HydrophobicContact CG1-CG 4.21Å; L1336-K1354 HydrophobicContact CB-CB 4.43Å; L1336-K1354 HydrophobicContact CB-CD 4.37Å; L1336-A1356 HydrophobicContact CD2-CB 3.73Å |
| 1337 | K | 72.9 | Confident | 61.1 | Low | 123 Ų | 123 | 91.5 Ų | 91.5 | 54% | 0.535 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132 | 179.7 | -149.5 | 173 | -177.5 | 176 | 0 | 109.9 | F1339 K1354 I1355 F1357 | K1337-F1339 PolarHBondContact O-N 2.94Å; K1337-K1354 CarbonylContact O-C 3.56Å; K1337-K1354 WeakPolarHBondContact O-CA 3.41Å; K1337-I1355 PolarHBondContact N-O 2.93Å; K1337-I1355 PolarHBondContact O-N 2.85Å; K1337-F1357 HydrophobicContact CB-CD2 4.21Å; K1337-F1357 HydrophobicContact CB-CE2 3.71Å; K1337-F1357 HydrophobicContact CD-CE2 4.11Å; K1337-F1357 HydrophobicContact CD-CZ 4.48Å |
| 1338 | P | 59.3 | Low | 58.9 | Low | 66 Ų | 66 | 92.6 Ų | 92.6 | 43% | 0.429 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 127.5 | 174.4 | 24.4 | -31.1 | 0 | 0 | 0 | 110 | Q1340 | P1338-Q1340 PolarHBondContact O-N 3.25Å |
| 1339 | F | 44.4 | Very low | 56.8 | Low | 127 Ų | 127 | 100 Ų | 100 | 56% | 0.557 | 50% | 0.498 | S | S | * | . | trans | -75.3 | 109.8 | 178.1 | -171.5 | -114.8 | 0 | 0 | 0 | 109.5 | K1337 G1341 T1353 I1355 | K1337-F1339 PolarHBondContact O-N 2.94Å; F1339-G1341 VanDerWaalsContact C-N 3.32Å; F1339-G1341 PolarHBondContact O-N 3.37Å; F1339-T1353 PolarHBondContact N-O 2.92Å; F1339-T1353 VanDerWaalsContact N-O 3.14Å; F1339-I1355 HydrophobicContact CB-CD1 3.93Å; F1339-I1355 HydrophobicContact CB-CG1 4.05Å; F1339-I1355 HydrophobicContact CD2-CD1 3.18Å; F1339-I1355 HydrophobicContact CD2-CG1 4.2Å; F1339-I1355 HydrophobicContact CE2-CD1 3.69Å; F1339-I1355 HydrophobicContact CG-CD1 3.66Å; F1339-I1355 HydrophobicContact CG-CG1 4.32Å | ||
| 1340 | Q | 39.2 | Very low | 54.4 | Low | 158 Ų | 158 | 104.5 Ų | 104.5 | 74% | 0.738 | 53% | 0.53 | S | S | * | . | trans | -89.5 | 73.3 | 168.3 | -72.2 | -173.1 | -5.5 | 0 | 0 | 108.7 | P1338 K1342 | P1338-Q1340 PolarHBondContact O-N 3.25Å; Q1340-K1342 PolarHBondContact O-N 3.47Å | ||
| 1341 | G | 37.1 | Very low | 52.1 | Low | 41 Ų | 41 | 110.9 Ų | 110.9 | 42% | 0.423 | 55% | 0.553 | S | S | . | * | trans | -61.4 | 120.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | F1339 S1343 | F1339-G1341 VanDerWaalsContact C-N 3.32Å; F1339-G1341 PolarHBondContact O-N 3.37Å; G1341-S1343 PolarHBondContact O-N 3.38Å | ||
| 1342 | K | 38 | Very low | 49.8 | Very low | 217 Ų | 217 | 120.6 Ų | 120.6 | 94% | 0.943 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -72.1 | 63.8 | 172.6 | -76.7 | -173.7 | 175.5 | -177.1 | 0 | 109.7 | Q1340 | Q1340-K1342 PolarHBondContact O-N 3.47Š|
| 1343 | S | 33.2 | Very low | 48 | Very low | 99 Ų | 99 | 125 Ų | 125 | 69% | 0.692 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -172.6 | 146.2 | 162.8 | -164.7 | 0 | 0 | 0 | 0 | 107.7 | G1341 | G1341-S1343 PolarHBondContact O-N 3.38Š|
| 1344 | L | 32.1 | Very low | 47.1 | Very low | 168 Ų | 168 | 131.1 Ų | 131.1 | 88% | 0.88 | 64% | 0.644 | S | S | * | * | trans | 80.8 | 56.2 | 178.9 | -48.5 | 164.6 | 0 | 0 | 0 | 116.2 | ||||
| 1345 | R | 30.4 | Very low | 46.9 | Very low | 214 Ų | 214 | 131.4 Ų | 131.4 | 81% | 0.808 | 65% | 0.645 | S | S | * | * | trans | -100.4 | 13.3 | 164.9 | -98.1 | -164.6 | -171.1 | -171.7 | 7.2 | 115.3 | ||||
| 1346 | K | 35.1 | Very low | 47 | Very low | 197 Ų | 197 | 128.4 Ų | 128.4 | 86% | 0.857 | 63% | 0.631 | S | S | * | * | trans | -128.2 | 85.4 | 175.8 | -72.1 | -176.8 | 178.1 | 177 | 0 | 109.9 | ||||
| 1347 | I | 30.4 | Very low | 47.6 | Very low | 162 Ų | 162 | 127 Ų | 127 | 83% | 0.831 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -177.7 | 132.3 | 146.6 | -83.9 | 143.6 | 0 | 0 | 0 | 105.8 | ||
| 1348 | G | 31 | Very low | 48.4 | Very low | 70 Ų | 70 | 121.1 Ų | 121.1 | 72% | 0.722 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | 145.1 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | S1350 | G1348-S1350 PolarHBondContact O-N 2.86Š|
| 1349 | R | 32.3 | Very low | 49.9 | Very low | 255 Ų | 255 | 118 Ų | 118 | 96% | 0.962 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.9 | 36.6 | 167.3 | -66.9 | -174.4 | 176.4 | 171.5 | -0.2 | 117.1 | K1351 | R1349-K1351 PolarHBondContact O-N 2.94Š|
| 1350 | S | 31.6 | Very low | 52 | Low | 108 Ų | 108 | 112.9 Ų | 112.9 | 76% | 0.755 | 56% | 0.556 | S | S | * | * | trans | -69.7 | 116 | 162.7 | -174.1 | 0 | 0 | 0 | 0 | 110.2 | G1348 R1352 | G1348-S1350 PolarHBondContact O-N 2.86Å; S1350-R1352 PolarHBondContact O-N 2.83Å; S1350-R1352 VanDerWaalsContact O-N 3.07Å | ||
| 1351 | K | 37.3 | Very low | 54.4 | Low | 196 Ų | 196 | 107.3 Ų | 107.3 | 85% | 0.852 | 53% | 0.529 | S | S | * | . | trans | -57.4 | 111.1 | 177 | -75.1 | 177.6 | 177.8 | 175.5 | 0 | 108.8 | R1349 T1353 | R1349-K1351 PolarHBondContact O-N 2.94Å; K1351-T1353 PolarHBondContact O-N 2.83Å | ||
| 1352 | R | 39.3 | Very low | 56.5 | Low | 204 Ų | 204 | 112 Ų | 112 | 77% | 0.77 | 54% | 0.54 | S | S | * | . | trans | -48.9 | 104.8 | 174.7 | -71.4 | -179.7 | -179.9 | 173.1 | 1.1 | 109.9 | S1350 K1354 | S1350-R1352 PolarHBondContact O-N 2.83Å; S1350-R1352 VanDerWaalsContact O-N 3.07Å; R1352-K1354 PolarHBondContact O-N 2.95Å | ||
| 1353 | T | 50.5 | Low | 58.5 | Low | 99 Ų | 99 | 105 Ų | 105 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 121 | 174.7 | 35.6 | 0 | 0 | 0 | 0 | 108.9 | F1339 K1351 | F1339-T1353 PolarHBondContact N-O 2.92Å; F1339-T1353 VanDerWaalsContact N-O 3.14Å; K1351-T1353 PolarHBondContact O-N 2.83Å |
| 1354 | K | 68 | Low | 61.1 | Low | 130 Ų | 130 | 101.3 Ų | 101.3 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 134 | 175.7 | -63.6 | 178.7 | -177.8 | 176.7 | 0 | 108.2 | L1336 K1337 R1352 | L1336-K1354 HydrophobicContact CB-CB 4.43Å; L1336-K1354 HydrophobicContact CB-CD 4.37Å; K1337-K1354 CarbonylContact O-C 3.56Å; K1337-K1354 WeakPolarHBondContact O-CA 3.41Å; R1352-K1354 PolarHBondContact O-N 2.95Å |
| 1355 | I | 81.9 | Confident | 63.3 | Low | 20 Ų | 20 | 94.2 Ų | 94.2 | 10% | 0.103 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 135.3 | 172.2 | -67.6 | 179.4 | 0 | 0 | 0 | 108.8 | Q1301 R1303 K1337 F1339 | Q1301-I1355 HydrophobicContact CB-CG1 4.39Å; Q1301-I1355 WeakPolarHBondContact O-CA 3.39Å; R1303-I1355 HydrophobicContact CG-CG2 4.33Å; K1337-I1355 PolarHBondContact N-O 2.93Å; K1337-I1355 PolarHBondContact O-N 2.85Å; F1339-I1355 HydrophobicContact CB-CD1 3.93Å; F1339-I1355 HydrophobicContact CB-CG1 4.05Å; F1339-I1355 HydrophobicContact CD2-CD1 3.18Å; F1339-I1355 HydrophobicContact CD2-CG1 4.2Å; F1339-I1355 HydrophobicContact CE2-CD1 3.69Å; F1339-I1355 HydrophobicContact CG-CD1 3.66Å; F1339-I1355 HydrophobicContact CG-CG1 4.32Å |
| 1356 | A | 85.6 | Confident | 65.3 | Low | 0 Ų | 0 | 91.5 Ų | 91.5 | 0% | 0 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 127 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1274 I1296 Q1301 G1302 R1303 V1333 L1336 | L1274-A1356 HydrophobicContact CD1-CB 4.14Å; I1296-A1356 HydrophobicContact CD1-CB 3.64Å; Q1301-A1356 PolarHBondContact O-N 3.42Å; G1302-A1356 CarbonylContact C-O 3.57Å; G1302-A1356 WeakPolarHBondContact CA-O 3.34Å; R1303-A1356 PolarHBondContact N-O 2.82Å; V1333-A1356 HydrophobicContact CG1-CB 4.18Å; V1333-A1356 HydrophobicContact CG2-CB 4.32Å; L1336-A1356 HydrophobicContact CD2-CB 3.73Å |
| 1357 | F | 90.4 | Very high | 66.9 | Low | 13 Ų | 13 | 83.4 Ų | 83.4 | 6% | 0.057 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 126.8 | 165.3 | -72.3 | -103.2 | 0 | 0 | 0 | 108.1 | Y1291 R1303 I1334 H1335 K1337 | Y1291-F1357 HydrophobicContact CE1-CD1 4.35Å; Y1291-F1357 HydrophobicContact CE1-CE1 4.05Å; R1303-F1357 HydrophobicContact CG-CD1 4.21Å; R1303-F1357 HydrophobicContact CG-CE1 4.39Å; R1303-F1357 VanDerWaalsContact NH2-CE1 3.26Å; R1303-F1357 WeakPolarHBondContact O-CA 3.44Å; I1334-F1357 WeakPolarHBondContact CB-O 3.3Å; I1334-F1357 PolarHBondContact N-O 3.35Å; H1335-F1357 VanDerWaalsContact CE1-CB 3.49Å; H1335-F1357 WeakPolarHBondContact CE1-CB 3.38Å; H1335-F1357 AromaticContact CE1-CD2 3.55Å; H1335-F1357 AromaticContact CE1-CG 3.47Å; H1335-F1357 VanDerWaalsContact CE1-CG 3.47Å; H1335-F1357 WeakPolarHBondContact CE1-CG 3.48Å; H1335-F1357 PolarHBondContact N-O 2.8Å; H1335-F1357 AromaticContact NE2-CD2 3.46Å; H1335-F1357 WeakPolarHBondContact NE2-CD2 3.29Å; H1335-F1357 AromaticContact NE2-CE2 3.85Å; H1335-F1357 AromaticContact NE2-CG 3.89Å; H1335-F1357 PolarHBondContact O-N 2.97Å; K1337-F1357 HydrophobicContact CB-CD2 4.21Å; K1337-F1357 HydrophobicContact CB-CE2 3.71Å; K1337-F1357 HydrophobicContact CD-CE2 4.11Å; K1337-F1357 HydrophobicContact CD-CZ 4.48Å |
| 1358 | C | 90.1 | Very high | 68.3 | Low | 0 Ų | 0 | 87.5 Ų | 87.5 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 165.5 | -170.9 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | L1294 I1296 R1303 V1304 V1331 K1332 | L1294-C1358 HydrophobicContact CD1-CB 4.34Å; I1296-C1358 VanDerWaalsContact CD1-SG 3.5Å; R1303-C1358 PolarHBondContact O-N 2.65Å; V1304-C1358 HydrophobicContact CG2-CB 3.65Å; V1331-C1358 HydrophobicContact CB-CB 3.98Å; V1331-C1358 HydrophobicContact CG2-CB 4.3Å; K1332-C1358 CarbonylContact O-C 3.57Å; K1332-C1358 WeakPolarHBondContact O-CA 2.95Å |
| 1359 | T | 90.5 | Very high | 69.7 | Low | 0 Ų | 0 | 90 Ų | 90 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 146.1 | 169.8 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | E1308 K1332 I1334 K1361 K1364 | E1308-T1359 PolarHBondContact O-OG1 2.92Å; E1308-T1359 WeakPolarHBondContact OE2-CB 3.35Å; E1308-T1359 PolarHBondContact OE2-OG1 3.32Å; K1332-T1359 HydrophobicContact CB-CG2 4.1Å; K1332-T1359 PolarHBondContact N-O 3.25Å; K1332-T1359 VanDerWaalsContact N-O 3.16Å; K1332-T1359 PolarHBondContact O-N 2.97Å; I1334-T1359 HydrophobicContact CG1-CG2 4.11Å; T1359-K1361 PolarHBondContact OG1-N 3.24Å; T1359-K1364 HydrophobicContact CG2-CB 3.71Å; T1359-K1364 HydrophobicContact CG2-CD 3.99Å |
| 1360 | L | 89.1 | Confident | 70.9 | Confident | 20 Ų | 20 | 82.6 Ų | 82.6 | 11% | 0.105 | 40% | 0.398 | C | S | . | . | trans | -109.9 | -1.3 | 173.3 | -84.5 | 161.6 | 0 | 0 | 0 | 112.3 | L1292 V1304 E1308 L1309 F1323 V1329 T1330 V1331 E1362 I1365 | L1292-L1360 HydrophobicContact CD2-CD1 4.03Å; V1304-L1360 HydrophobicContact CB-CD1 4.4Å; V1304-L1360 HydrophobicContact CG1-CB 4.48Å; V1304-L1360 HydrophobicContact CG1-CD1 4.26Å; V1304-L1360 HydrophobicContact CG2-CD1 4.05Å; V1304-L1360 HydrophobicContact CG2-CG 4.24Å; E1308-L1360 CarbonylContact O-C 3.5Å; E1308-L1360 WeakPolarHBondContact O-CA 3.48Å; E1308-L1360 PolarHBondContact O-N 2.91Å; L1309-L1360 HydrophobicContact CD2-CD1 3.69Å; L1309-L1360 CarbonylContact O-C 3.53Å; L1309-L1360 WeakPolarHBondContact O-CB 3.28Å; F1323-L1360 HydrophobicContact CE1-CD1 4.28Å; F1323-L1360 HydrophobicContact CZ-CD1 4.44Å; V1329-L1360 HydrophobicContact CB-CD2 3.87Å; V1329-L1360 HydrophobicContact CG1-CD2 4.48Å; V1329-L1360 HydrophobicContact CG2-CD2 4.35Å; T1330-L1360 VanDerWaalsContact O-CD2 3.29Å; T1330-L1360 WeakPolarHBondContact O-CD2 3.46Å; V1331-L1360 HydrophobicContact CG1-CD1 4.46Å; V1331-L1360 HydrophobicContact CG1-CD2 3.76Å; V1331-L1360 HydrophobicContact CG1-CG 3.93Å; L1360-E1362 PolarHBondContact O-N 2.92Å; L1360-I1365 WeakPolarHBondContact O-CD1 3.19Å | ||
| 1361 | K | 88.9 | Confident | 72.2 | Confident | 40 Ų | 40 | 79.5 Ų | 79.5 | 17% | 0.174 | 38% | 0.379 | C | S | . | . | trans | -59.7 | 121.7 | 174.6 | -81.4 | -177.3 | 166.8 | 171.3 | 0 | 111.2 | T1307 E1308 K1310 D1311 T1359 S1363 K1364 I1365 | T1307-K1361 WeakPolarHBondContact O-CE 3.29Å; T1307-K1361 PolarHBondContact O-NZ 3.03Å; E1308-K1361 PolarHBondContact O-N 3.35Å; K1310-K1361 WeakPolarHBondContact O-CE 3.34Å; D1311-K1361 VanDerWaalsContact OD1-CB 3.27Å; D1311-K1361 WeakPolarHBondContact OD1-CB 3.4Å; D1311-K1361 WeakPolarHBondContact OD1-CD 3.29Å; D1311-K1361 VanDerWaalsContact OD1-CG 3.29Å; D1311-K1361 WeakPolarHBondContact OD1-CG 3.44Å; T1359-K1361 PolarHBondContact OG1-N 3.24Å; K1361-S1363 VanDerWaalsContact C-N 3.25Å; K1361-S1363 PolarHBondContact O-N 2.9Å; K1361-K1364 HydrophobicContact CB-CB 4.18Å; K1361-K1364 HydrophobicContact CB-CD 4.32Å; K1361-K1364 HydrophobicContact CB-CG 4.13Å; K1361-K1364 HydrophobicContact CD-CD 4.36Å; K1361-K1364 PolarHBondContact O-N 2.65Å; K1361-I1365 WeakPolarHBondContact O-CB 3.15Å; K1361-I1365 WeakPolarHBondContact O-CG1 3.36Å; K1361-I1365 PolarHBondContact O-N 2.97Å | ||
| 1362 | E | 81.5 | Confident | 73.3 | Confident | 139 Ų | 139 | 78.1 Ų | 78.1 | 65% | 0.65 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -56.5 | -42.3 | 178.9 | -66.7 | 179.1 | -175.2 | 0 | 0 | 110.9 | D1311 L1360 K1364 I1365 F1366 | D1311-E1362 PolarHBondContact OD2-N 2.99Å; L1360-E1362 PolarHBondContact O-N 2.92Å; E1362-K1364 VanDerWaalsContact C-N 3.26Å; E1362-K1364 PolarHBondContact O-N 2.95Å; E1362-I1365 PolarHBondContact O-N 2.69Å; E1362-F1366 HydrophobicContact CB-CD2 4.15Å; E1362-F1366 HydrophobicContact CB-CE2 4.23Å; E1362-F1366 HydrophobicContact CG-CE2 4.44Å; E1362-F1366 WeakPolarHBondContact O-CD2 3.43Å; E1362-F1366 PolarHBondContact O-N 3.31Å |
| 1363 | S | 80.4 | Confident | 74.4 | Confident | 70 Ų | 70 | 73.8 Ų | 73.8 | 49% | 0.49 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -56.4 | -37.8 | 177 | 72 | 0 | 0 | 0 | 0 | 112.9 | D1311 K1361 A1367 | D1311-S1363 WeakPolarHBondContact OD1-CB 3.41Å; D1311-S1363 PolarHBondContact OD1-OG 2.8Å; D1311-S1363 VanDerWaalsContact OD2-CB 3.31Å; D1311-S1363 WeakPolarHBondContact OD2-CB 3.31Å; D1311-S1363 PolarHBondContact OD2-N 3.39Å; D1311-S1363 PolarHBondContact OD2-OG 2.8Å; K1361-S1363 VanDerWaalsContact C-N 3.25Å; K1361-S1363 PolarHBondContact O-N 2.9Å; S1363-A1367 WeakPolarHBondContact O-CB 3.33Å; S1363-A1367 PolarHBondContact O-N 3.44Å; S1363-A1367 VanDerWaalsContact O-N 3.14Å |
| 1364 | K | 86.2 | Confident | 74.9 | Confident | 22 Ų | 22 | 71.5 Ų | 71.5 | 10% | 0.096 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -85.2 | -36.2 | 179.6 | -66.1 | -173 | 178.2 | -175.7 | 0 | 112.2 | E1308 K1332 T1359 K1361 E1362 G1376 | E1308-K1364 IonicContact OE1-NZ 2.65Å; E1308-K1364 PolarHBondContact OE1-NZ 3.13Å; E1308-K1364 WeakPolarHBondContact OE2-CD 3.31Å; E1308-K1364 WeakPolarHBondContact OE2-CE 3.49Å; E1308-K1364 IonicContact OE2-NZ 3.28Å; E1308-K1364 PolarHBondContact OE2-NZ 3.27Å; K1332-K1364 VanDerWaalsContact CD-O 3.24Å; K1332-K1364 WeakPolarHBondContact CD-O 3.49Å; K1332-K1364 PolarHBondContact NZ-O 2.84Å; T1359-K1364 HydrophobicContact CG2-CB 3.71Å; T1359-K1364 HydrophobicContact CG2-CD 3.99Å; K1361-K1364 HydrophobicContact CB-CB 4.18Å; K1361-K1364 HydrophobicContact CB-CD 4.32Å; K1361-K1364 HydrophobicContact CB-CG 4.13Å; K1361-K1364 HydrophobicContact CD-CD 4.36Å; K1361-K1364 PolarHBondContact O-N 2.65Å; E1362-K1364 VanDerWaalsContact C-N 3.26Å; E1362-K1364 PolarHBondContact O-N 2.95Å; K1364-G1376 PolarHBondContact NZ-O 2.83Å |
| 1365 | I | 79.5 | Confident | 75.1 | Confident | 19 Ų | 19 | 65.3 Ų | 65.3 | 10% | 0.097 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.2 | -52.3 | 174.7 | -74.4 | 174.3 | 0 | 0 | 0 | 109.3 | L1279 K1332 L1360 K1361 E1362 | L1279-I1365 HydrophobicContact CD1-CG2 4.01Å; L1279-I1365 HydrophobicContact CD2-CG2 4.45Å; K1332-I1365 HydrophobicContact CB-CG1 4.25Å; K1332-I1365 PolarHBondContact NZ-O 2.84Å; K1332-I1365 VanDerWaalsContact NZ-O 3.1Å; L1360-I1365 WeakPolarHBondContact O-CD1 3.19Å; K1361-I1365 WeakPolarHBondContact O-CB 3.15Å; K1361-I1365 WeakPolarHBondContact O-CG1 3.36Å; K1361-I1365 PolarHBondContact O-N 2.97Å; E1362-I1365 PolarHBondContact O-N 2.69Å |
| 1366 | F | 72.8 | Confident | 75 | Confident | 158 Ų | 158 | 65.4 Ų | 65.4 | 69% | 0.693 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -93.1 | 5.4 | -175.6 | -56.6 | -66.5 | 0 | 0 | 0 | 114.7 | E1362 R1368 | E1362-F1366 HydrophobicContact CB-CD2 4.15Å; E1362-F1366 HydrophobicContact CB-CE2 4.23Å; E1362-F1366 HydrophobicContact CG-CE2 4.44Å; E1362-F1366 WeakPolarHBondContact O-CD2 3.43Å; E1362-F1366 PolarHBondContact O-N 3.31Å; F1366-R1368 PolarHBondContact O-N 3.26Å; F1366-R1368 VanDerWaalsContact O-N 3.08Å |
| 1367 | A | 67.6 | Low | 75 | Confident | 27 Ų | 27 | 66.3 Ų | 66.3 | 22% | 0.223 | 35% | 0.347 | C | S | . | . | trans | -55.8 | 116 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | S1363 N1369 | S1363-A1367 WeakPolarHBondContact O-CB 3.33Å; S1363-A1367 PolarHBondContact O-N 3.44Å; S1363-A1367 VanDerWaalsContact O-N 3.14Å; A1367-N1369 PolarHBondContact O-N 2.97Å | ||
| 1368 | R | 59.7 | Low | 74.5 | Confident | 247 Ų | 247 | 69.8 Ų | 69.8 | 93% | 0.932 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -60 | -31.4 | 178.9 | -76.6 | -175 | 175.9 | 179.5 | -1 | 112.9 | F1366 | F1366-R1368 PolarHBondContact O-N 3.26Å; F1366-R1368 VanDerWaalsContact O-N 3.08Å |
| 1369 | N | 59.9 | Low | 74.1 | Confident | 123 Ų | 123 | 76.2 Ų | 76.2 | 66% | 0.658 | 39% | 0.394 | S | S | * | . | trans | -96.8 | 111.6 | -179.5 | -71.5 | -11.4 | 0 | 0 | 0 | 110.4 | A1367 A1371 | A1367-N1369 PolarHBondContact O-N 2.97Å; N1369-A1371 PolarHBondContact O-N 2.75Å | ||
| 1370 | N | 59.3 | Low | 73.7 | Confident | 100 Ų | 100 | 85 Ų | 85 | 54% | 0.535 | 43% | 0.432 | S | S | . | . | trans | -72.9 | 30.8 | 173 | -73.4 | -27.3 | 0 | 0 | 0 | 113.2 | L1277 K1332 K1372 | L1277-N1370 HydrophobicContact CD1-CB 4.28Å; L1277-N1370 VanDerWaalsContact CD1-O 3.24Å; L1277-N1370 WeakPolarHBondContact CD1-O 3.43Å; K1332-N1370 PolarHBondContact NZ-OD1 3.47Å; N1370-K1372 PolarHBondContact O-N 3Å | ||
| 1371 | A | 57.3 | Low | 73.7 | Confident | 42 Ų | 42 | 85.1 Ų | 85.1 | 35% | 0.347 | 43% | 0.432 | S | S | . | . | trans | -70.6 | 129.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | N1369 S1373 A1374 I1375 | N1369-A1371 PolarHBondContact O-N 2.75Å; A1371-S1373 PolarHBondContact O-N 2.92Å; A1371-S1373 VanDerWaalsContact O-N 3.1Å; A1371-A1374 HydrophobicContact CB-CB 4.46Å; A1371-A1374 PolarHBondContact O-N 3.36Å; A1371-I1375 PolarHBondContact O-N 3.37Å | ||
| 1372 | K | 61 | Low | 73.4 | Confident | 167 Ų | 167 | 86.4 Ų | 86.4 | 73% | 0.726 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -51.4 | -34 | 174.9 | -98.6 | -176 | 177.1 | 177.7 | 0 | 112.7 | N1370 A1374 G1376 | N1370-K1372 PolarHBondContact O-N 3Å; K1372-A1374 VanDerWaalsContact C-N 3.31Å; K1372-A1374 PolarHBondContact O-N 2.98Å; K1372-G1376 WeakPolarHBondContact O-CA 3.39Å; K1372-G1376 PolarHBondContact O-N 3.43Å |
| 1373 | S | 62.6 | Low | 73.5 | Confident | 114 Ų | 114 | 88.2 Ų | 88.2 | 80% | 0.797 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66 | -28.6 | 177.6 | 50.2 | 0 | 0 | 0 | 0 | 113.8 | A1371 | A1371-S1373 PolarHBondContact O-N 2.92Å; A1371-S1373 VanDerWaalsContact O-N 3.1Å |
| 1374 | A | 60.4 | Low | 73.6 | Confident | 51 Ų | 51 | 86.7 Ų | 86.7 | 42% | 0.421 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -86.8 | -34.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1371 K1372 | A1371-A1374 HydrophobicContact CB-CB 4.46Å; A1371-A1374 PolarHBondContact O-N 3.36Å; K1372-A1374 VanDerWaalsContact C-N 3.31Å; K1372-A1374 PolarHBondContact O-N 2.98Å |
| 1375 | I | 72.4 | Confident | 73.6 | Confident | 0 Ų | 0 | 88.1 Ų | 88.1 | 0% | 0 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -94.7 | -23.1 | -175.8 | -62.7 | 162 | 0 | 0 | 0 | 112 | L1277 K1332 I1334 A1371 | L1277-I1375 HydrophobicContact CD2-CB 3.99Å; L1277-I1375 HydrophobicContact CD2-CD1 3.77Å; L1277-I1375 HydrophobicContact CD2-CG1 4.49Å; L1277-I1375 HydrophobicContact CD2-CG2 3.86Å; K1332-I1375 HydrophobicContact CD-CD1 4.4Å; I1334-I1375 HydrophobicContact CG1-CG2 4.41Å; A1371-I1375 PolarHBondContact O-N 3.37Å |
| 1376 | G | 79.4 | Confident | 74.1 | Confident | 21 Ų | 21 | 91.7 Ų | 91.7 | 22% | 0.216 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -59.1 | 172.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K1364 K1372 | K1364-G1376 PolarHBondContact NZ-O 2.83Å; K1372-G1376 WeakPolarHBondContact O-CA 3.39Å; K1372-G1376 PolarHBondContact O-N 3.43Å |
| 1377 | Y | 85.9 | Confident | 74.9 | Confident | 19 Ų | 19 | 84.4 Ų | 84.4 | 8% | 0.075 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 150.1 | 168.1 | -61.5 | -66.5 | 0 | 0 | 0 | 109.7 | E1308 I1334 H1335 E1379 N1404 P1405 I1406 | E1308-Y1377 HydrophobicContact CG-CD1 4.19Å; E1308-Y1377 HydrophobicContact CG-CE1 3.74Å; I1334-Y1377 HydrophobicContact CD1-CD1 4.42Å; I1334-Y1377 HydrophobicContact CD1-CE1 3.79Å; I1334-Y1377 HydrophobicContact CD1-CE2 4.35Å; H1335-Y1377 AromaticContact CE1-CE2 3.97Å; Y1377-E1379 PolarHBondContact O-N 2.84Å; Y1377-N1404 HydrophobicContact CD1-CB 4.26Å; Y1377-P1405 HydrophobicContact CE1-CG 3.87Å; Y1377-P1405 HydrophobicContact CE2-CG 4.21Å; Y1377-I1406 HydrophobicContact CD2-CD1 4.18Å |
| 1378 | Q | 80.1 | Confident | 76 | Confident | 86 Ų | 86 | 85 Ų | 85 | 40% | 0.402 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 119.9 | 173.9 | -175.3 | 174.5 | 0.2 | 0 | 0 | 110.3 | K1380 F1381 E1385 N1404 | Q1378-K1380 PolarHBondContact NE2-O 2.87Å; Q1378-K1380 VanDerWaalsContact NE2-O 3.14Å; Q1378-F1381 HydrophobicContact CB-CE1 4.44Å; Q1378-F1381 HydrophobicContact CB-CZ 4.24Å; Q1378-F1381 HydrophobicContact CG-CD1 4.42Å; Q1378-F1381 HydrophobicContact CG-CE1 3.85Å; Q1378-F1381 HydrophobicContact CG-CZ 3.97Å; Q1378-E1385 PolarHBondContact NE2-OE1 3.15Å; Q1378-N1404 PolarHBondContact O-ND2 2.74Å |
| 1379 | E | 82.1 | Confident | 77.6 | Confident | 135 Ų | 135 | 73.3 Ų | 73.3 | 63% | 0.631 | 40% | 0.398 | S | S | * | . | trans | -108.9 | -16.9 | -177.8 | -70.6 | -179.9 | -177.7 | 0 | 0 | 113.6 | Y1377 W1407 | Y1377-E1379 PolarHBondContact O-N 2.84Å; E1379-W1407 VanDerWaalsContact O-CZ2 3.25Å; E1379-W1407 WeakPolarHBondContact O-CZ2 3.48Å | ||
| 1380 | K | 81.4 | Confident | 79.1 | Confident | 184 Ų | 184 | 67.4 Ų | 67.4 | 80% | 0.8 | 37% | 0.367 | S | S | * | . | trans | -114.3 | 130.4 | 179.8 | -63.5 | -176 | -178.2 | -178.7 | 0 | 109.5 | Q1378 | Q1378-K1380 PolarHBondContact NE2-O 2.87Å; Q1378-K1380 VanDerWaalsContact NE2-O 3.14Å | ||
| 1381 | F | 88.8 | Confident | 80.6 | Confident | 23 Ų | 23 | 62.7 Ų | 62.7 | 10% | 0.101 | 34% | 0.342 | C | S | . | . | trans | -127.6 | 141.4 | 178.1 | -62.1 | -79.5 | 0 | 0 | 0 | 109.2 | Q1378 E1385 V1387 V1403 W1407 V1443 V1450 | Q1378-F1381 HydrophobicContact CB-CE1 4.44Å; Q1378-F1381 HydrophobicContact CB-CZ 4.24Å; Q1378-F1381 HydrophobicContact CG-CD1 4.42Å; Q1378-F1381 HydrophobicContact CG-CE1 3.85Å; Q1378-F1381 HydrophobicContact CG-CZ 3.97Å; F1381-E1385 WeakPolarHBondContact CA-OE2 3.49Å; F1381-V1387 HydrophobicContact CD1-CG1 3.75Å; F1381-V1387 HydrophobicContact CE1-CG1 3.83Å; F1381-V1403 HydrophobicContact CE1-CG1 4.03Å; F1381-V1403 HydrophobicContact CZ-CG1 3.9Å; F1381-W1407 HydrophobicContact CD2-CD2 4.07Å; F1381-W1407 HydrophobicContact CD2-CE3 4.15Å; F1381-W1407 HydrophobicContact CD2-CH2 4.33Å; F1381-W1407 HydrophobicContact CD2-CZ2 4.31Å; F1381-W1407 HydrophobicContact CD2-CZ3 4.28Å; F1381-W1407 HydrophobicContact CE2-CB 4.23Å; F1381-W1407 AromaticContact CE2-CD1 3.94Å; F1381-W1407 AromaticContact CE2-CD2 3.64Å; F1381-W1407 HydrophobicContact CE2-CD2 3.64Å; F1381-W1407 AromaticContact CE2-CE2 3.86Å; F1381-W1407 HydrophobicContact CE2-CE3 4.11Å; F1381-W1407 AromaticContact CE2-CG 3.7Å; F1381-W1407 HydrophobicContact CE2-CG 3.7Å; F1381-W1407 HydrophobicContact CE2-CZ2 4.44Å; F1381-W1407 HydrophobicContact CZ-CG 4.46Å; F1381-V1443 HydrophobicContact CB-CG1 4.48Å; F1381-V1443 HydrophobicContact CB-CG2 3.92Å; F1381-V1450 HydrophobicContact CB-CG1 4.43Å; F1381-V1450 HydrophobicContact CD2-CG1 4.13Å; F1381-V1450 HydrophobicContact CG-CG1 4.27Å | ||
| 1382 | S | 84.1 | Confident | 82 | Confident | 68 Ų | 68 | 61.6 Ų | 61.6 | 48% | 0.476 | 33% | 0.331 | S | S | . | . | trans | -115.4 | 148.1 | 178.4 | 55.9 | 0 | 0 | 0 | 0 | 111.2 | G1384 E1385 V1440 | S1382-G1384 PolarHBondContact O-N 2.81Å; S1382-E1385 PolarHBondContact N-OE2 3.44Å; S1382-E1385 WeakPolarHBondContact O-CB 3.31Å; S1382-E1385 PolarHBondContact O-N 2.86Å; S1382-E1385 VanDerWaalsContact O-N 3.15Å; S1382-E1385 PolarHBondContact OG-OE2 3.49Å; S1382-V1440 WeakPolarHBondContact O-CB 3.38Å | ||
| 1383 | K | 83.7 | Confident | 83.2 | Confident | 176 Ų | 176 | 56 Ų | 56 | 77% | 0.765 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 128 | 179.2 | -174.1 | 177.9 | 177.7 | -179 | 0 | 109.4 | V1440 T1441 | K1383-V1440 CarbonylContact C-O 3.42Å; K1383-V1440 WeakPolarHBondContact CA-O 3.25Å; K1383-T1441 WeakPolarHBondContact CD-O 3.5Å; K1383-T1441 WeakPolarHBondContact CE-O 3.47Å |
| 1384 | G | 81.2 | Confident | 83.9 | Confident | 39 Ų | 39 | 52 Ų | 52 | 40% | 0.402 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -9.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1382 V1440 | S1382-G1384 PolarHBondContact O-N 2.81Å; G1384-V1440 PolarHBondContact N-O 2.86Å |
| 1385 | E | 87.5 | Confident | 84.7 | Confident | 51 Ų | 51 | 55.5 Ų | 55.5 | 24% | 0.238 | 28% | 0.282 | C | S | . | . | trans | -69.2 | 138.5 | 179.9 | -169.7 | 176 | 167.6 | 0 | 0 | 112.2 | Q1378 F1381 S1382 V1387 Y1439 V1440 | Q1378-E1385 PolarHBondContact NE2-OE1 3.15Å; F1381-E1385 WeakPolarHBondContact CA-OE2 3.49Å; S1382-E1385 PolarHBondContact N-OE2 3.44Å; S1382-E1385 WeakPolarHBondContact O-CB 3.31Å; S1382-E1385 PolarHBondContact O-N 2.86Å; S1382-E1385 VanDerWaalsContact O-N 3.15Å; S1382-E1385 PolarHBondContact OG-OE2 3.49Å; E1385-V1387 HydrophobicContact CG-CG1 4.45Å; E1385-Y1439 WeakPolarHBondContact O-CA 3.14Å; E1385-V1440 HydrophobicContact CB-CG2 4.38Å; E1385-V1440 WeakPolarHBondContact O-CG2 3.31Å; E1385-V1440 PolarHBondContact O-N 3.07Å | ||
| 1386 | L | 89.3 | Confident | 84.8 | Confident | 94 Ų | 94 | 60.6 Ų | 60.6 | 49% | 0.492 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 122.8 | 174.6 | -171.2 | 72.1 | 0 | 0 | 0 | 109.9 | H1437 F1438 Y1439 | L1386-H1437 HydrophobicContact CD1-CB 4.1Å; L1386-F1438 CarbonylContact C-O 3.57Å; L1386-F1438 WeakPolarHBondContact CA-O 3.39Å; L1386-Y1439 HydrophobicContact CB-CE1 4.46Å; L1386-Y1439 HydrophobicContact CD1-CD1 4.02Å; L1386-Y1439 HydrophobicContact CD1-CD2 4.16Å; L1386-Y1439 HydrophobicContact CD1-CE1 3.77Å; L1386-Y1439 HydrophobicContact CD1-CE2 3.89Å; L1386-Y1439 HydrophobicContact CD1-CG 4.23Å |
| 1387 | V | 90.2 | Very high | 84.6 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.03 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 141.5 | -179 | -65.8 | 0 | 0 | 0 | 0 | 111.4 | F1381 E1385 F1438 V1440 L1452 | F1381-V1387 HydrophobicContact CD1-CG1 3.75Å; F1381-V1387 HydrophobicContact CE1-CG1 3.83Å; E1385-V1387 HydrophobicContact CG-CG1 4.45Å; V1387-F1438 HydrophobicContact CG2-CB 4.45Å; V1387-F1438 WeakPolarHBondContact CG2-O 3.38Å; V1387-F1438 PolarHBondContact N-O 2.79Å; V1387-F1438 PolarHBondContact O-N 2.89Å; V1387-V1440 HydrophobicContact CG1-CG2 3.82Å; V1387-V1440 HydrophobicContact CG2-CG2 3.81Å; V1387-L1452 HydrophobicContact CG2-CD2 3.65Å |
| 1388 | T | 90.7 | Very high | 84.5 | Confident | 41 Ų | 41 | 61.7 Ų | 61.7 | 25% | 0.252 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 128.8 | 171.6 | -41.1 | 0 | 0 | 0 | 0 | 109.5 | L1435 R1436 H1437 | T1388-L1435 HydrophobicContact CG2-CB 4.33Å; T1388-L1435 HydrophobicContact CG2-CD2 4.28Å; T1388-R1436 WeakPolarHBondContact CA-O 3.31Å; T1388-H1437 PolarHBondContact OG1-CD2 3.16Å; T1388-H1437 PolarHBondContact OG1-NE2 2.94Å |
| 1389 | A | 91.8 | Very high | 85 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 151.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1401 V1403 R1436 F1438 | A1389-V1401 HydrophobicContact CB-CB 3.93Å; A1389-V1401 HydrophobicContact CB-CG2 3.76Å; A1389-V1403 HydrophobicContact CB-CG2 4.08Å; A1389-R1436 PolarHBondContact N-O 2.73Å; A1389-R1436 PolarHBondContact O-N 3.28Å; A1389-F1438 HydrophobicContact CB-CD2 4.07Å; A1389-F1438 HydrophobicContact CB-CE2 4.23Å |
| 1390 | V | 92.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 131.1 | 172.7 | 63.9 | 0 | 0 | 0 | 0 | 109.8 | Y1290 F1305 I1306 S1392 V1401 Q1402 G1433 Q1434 L1435 | Y1290-V1390 HydrophobicContact CD1-CG1 4.06Å; Y1290-V1390 HydrophobicContact CD1-CG2 4Å; Y1290-V1390 HydrophobicContact CE1-CG1 4.43Å; Y1290-V1390 HydrophobicContact CE1-CG2 4.17Å; Y1290-V1390 HydrophobicContact CG-CG1 4.13Å; F1305-V1390 HydrophobicContact CZ-CG1 4.15Å; I1306-V1390 HydrophobicContact CD1-CG2 4.27Å; I1306-V1390 HydrophobicContact CG2-CB 3.88Å; I1306-V1390 HydrophobicContact CG2-CG1 3.87Å; I1306-V1390 HydrophobicContact CG2-CG2 4.27Å; V1390-S1392 PolarHBondContact O-N 3.29Å; V1390-V1401 CarbonylContact O-C 3.58Å; V1390-V1401 VanDerWaalsContact O-CA 3.23Å; V1390-V1401 WeakPolarHBondContact O-CA 3.27Å; V1390-V1401 WeakPolarHBondContact O-CB 3.41Å; V1390-Q1402 HydrophobicContact CG1-CB 3.81Å; V1390-Q1402 WeakPolarHBondContact CG1-O 3.33Å; V1390-Q1402 PolarHBondContact N-O 2.68Å; V1390-Q1402 PolarHBondContact O-N 3.44Å; V1390-G1433 WeakPolarHBondContact CG2-O 3.33Å; V1390-Q1434 WeakPolarHBondContact CA-O 3.42Å; V1390-L1435 HydrophobicContact CB-CD2 3.83Å |
| 1391 | L | 89.6 | Confident | 86 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 121.4 | 171.9 | -67.4 | 179.5 | 0 | 0 | 0 | 109.2 | W1399 V1401 F1430 K1431 G1433 Q1434 R1436 F1438 | L1391-W1399 HydrophobicContact CB-CE3 4.21Å; L1391-W1399 HydrophobicContact CB-CZ3 4.21Å; L1391-W1399 HydrophobicContact CD2-CB 4.31Å; L1391-W1399 HydrophobicContact CD2-CD2 4.17Å; L1391-W1399 HydrophobicContact CD2-CE3 3.99Å; L1391-W1399 HydrophobicContact CD2-CG 4.33Å; L1391-W1399 HydrophobicContact CG-CE3 4.49Å; L1391-V1401 HydrophobicContact CD2-CG1 3.71Å; L1391-F1430 HydrophobicContact CD1-CB 3.72Å; L1391-F1430 HydrophobicContact CD1-CD2 3.66Å; L1391-F1430 HydrophobicContact CD1-CG 3.88Å; L1391-F1430 HydrophobicContact CD2-CD2 4.11Å; L1391-K1431 WeakPolarHBondContact CD1-O 3.26Å; L1391-G1433 PolarHBondContact O-N 3.25Å; L1391-Q1434 HydrophobicContact CD1-CB 4.33Å; L1391-Q1434 PolarHBondContact N-O 3.28Å; L1391-R1436 HydrophobicContact CD1-CG 4.12Å; L1391-R1436 HydrophobicContact CG-CG 4.35Å; L1391-F1438 HydrophobicContact CD2-CE2 4.35Å; L1391-F1438 HydrophobicContact CD2-CZ 3.8Å |
| 1392 | S | 86.7 | Confident | 86.1 | Confident | 19 Ų | 19 | 46 Ų | 46 | 13% | 0.133 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -55.3 | -179.6 | 63 | 0 | 0 | 0 | 0 | 112.6 | Y1290 V1390 H1400 S1432 | Y1290-S1392 VanDerWaalsContact OH-CA 3.26Å; Y1290-S1392 WeakPolarHBondContact OH-CA 3.5Å; Y1290-S1392 WeakPolarHBondContact OH-CB 3.49Å; V1390-S1392 PolarHBondContact O-N 3.29Å; S1392-H1400 PolarHBondContact N-O 3.41Å; S1392-H1400 VanDerWaalsContact OG-C 3.23Å; S1392-H1400 PolarHBondContact OG-O 3.02Å; S1392-S1432 PolarHBondContact O-OG 2.9Å |
| 1393 | E | 87.1 | Confident | 86.5 | Confident | 50 Ų | 50 | 43.1 Ų | 43.1 | 23% | 0.234 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 152.1 | -177.3 | 59.5 | -177.6 | 154.9 | 0 | 0 | 109.8 | N90 R1395 H1400 | N90-E1393 HydrophobicContact CB-CB 4.02Å; E1393-R1395 VanDerWaalsContact CD-CZ 3.43Å; E1393-R1395 HydrophobicContact CG-CG 4.5Å; E1393-R1395 IonicContact OE1-CZ 3.1Å; E1393-R1395 IonicContact OE1-NE 3.64Å; E1393-R1395 PolarHBondContact OE1-NE 3.23Å; E1393-R1395 IonicContact OE1-NH1 3.48Å; E1393-R1395 IonicContact OE1-NH2 2.78Å; E1393-R1395 PolarHBondContact OE1-NH2 3.4Å; E1393-R1395 IonicContact OE2-CZ 3.18Å; E1393-R1395 IonicContact OE2-NE 3.9Å; E1393-R1395 PolarHBondContact OE2-NE 3.45Å; E1393-R1395 IonicContact OE2-NH2 2.86Å; E1393-R1395 PolarHBondContact OE2-NH2 3.49Å; E1393-H1400 HydrophobicContact CG-CB 3.97Å; E1393-H1400 PolarHBondContact N-O 3.4Å; E1393-H1400 PolarHBondContact O-N 3.1Å |
| 1394 | S | 78.2 | Confident | 86.7 | Confident | 29 Ų | 29 | 35 Ų | 35 | 20% | 0.203 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 130 | 170.9 | -178 | 0 | 0 | 0 | 0 | 110 | N90 N1398 | N90-S1394 PolarHBondContact ND2-N 2.67Å; S1394-N1398 CarbonylContact C-O 3.58Å; S1394-N1398 WeakPolarHBondContact CA-O 2.99Å |
| 1395 | R | 77.1 | Confident | 86.9 | Confident | 126 Ų | 126 | 34.6 Ų | 34.6 | 48% | 0.475 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 124.1 | 176.4 | -64.3 | -176.3 | -177.3 | 174.5 | 3.2 | 109.8 | E1393 G1397 N1398 | E1393-R1395 VanDerWaalsContact CD-CZ 3.43Å; E1393-R1395 HydrophobicContact CG-CG 4.5Å; E1393-R1395 IonicContact OE1-CZ 3.1Å; E1393-R1395 IonicContact OE1-NE 3.64Å; E1393-R1395 PolarHBondContact OE1-NE 3.23Å; E1393-R1395 IonicContact OE1-NH1 3.48Å; E1393-R1395 IonicContact OE1-NH2 2.78Å; E1393-R1395 PolarHBondContact OE1-NH2 3.4Å; E1393-R1395 IonicContact OE2-CZ 3.18Å; E1393-R1395 IonicContact OE2-NE 3.9Å; E1393-R1395 PolarHBondContact OE2-NE 3.45Å; E1393-R1395 IonicContact OE2-NH2 2.86Å; E1393-R1395 PolarHBondContact OE2-NH2 3.49Å; R1395-G1397 PolarHBondContact O-N 3.41Å; R1395-N1398 PolarHBondContact N-O 3.06Å; R1395-N1398 WeakPolarHBondContact O-CB 3.35Å; R1395-N1398 PolarHBondContact O-N 2.87Å |
| 1396 | N | 74.7 | Confident | 86.8 | Confident | 107 Ų | 107 | 35.5 Ų | 35.5 | 57% | 0.572 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 28 | -175.6 | -75.2 | -79.5 | 0 | 0 | 0 | 113.7 | E122 N1398 K1413 | E122-N1396 WeakPolarHBondContact OE1-CA 3.44Å; E122-N1396 PolarHBondContact OE1-N 2.81Å; E122-N1396 PolarHBondContact OE2-N 3.46Å; E122-N1396 PolarHBondContact OE2-ND2 3Å; E122-N1396 PolarHBondContact OE2-OD1 3.25Å; N1396-N1398 PolarHBondContact O-N 3.3Å; N1396-K1413 WeakPolarHBondContact O-CD 3.47Å |
| 1397 | G | 73.3 | Confident | 86.8 | Confident | 18 Ų | 18 | 31.6 Ų | 31.6 | 19% | 0.186 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | -7.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1395 K1413 | R1395-G1397 PolarHBondContact O-N 3.41Å; G1397-K1413 VanDerWaalsContact O-CB 3.32Å; G1397-K1413 WeakPolarHBondContact O-CB 3.46Å |
| 1398 | N | 85 | Confident | 86.9 | Confident | 44 Ų | 44 | 37.4 Ų | 37.4 | 24% | 0.235 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 132.5 | 175.8 | -63.7 | -15.7 | 0 | 0 | 0 | 109.5 | S1394 R1395 N1396 V1411 K1413 | S1394-N1398 CarbonylContact C-O 3.58Å; S1394-N1398 WeakPolarHBondContact CA-O 2.99Å; R1395-N1398 PolarHBondContact N-O 3.06Å; R1395-N1398 WeakPolarHBondContact O-CB 3.35Å; R1395-N1398 PolarHBondContact O-N 2.87Å; N1396-N1398 PolarHBondContact O-N 3.3Å; N1398-V1411 CarbonylContact C-O 3.5Å; N1398-V1411 VanDerWaalsContact CA-O 3.32Å; N1398-V1411 WeakPolarHBondContact CA-O 3.33Å; N1398-K1413 PolarHBondContact OD1-N 3.38Å |
| 1399 | W | 89.7 | Confident | 87 | Confident | 12 Ų | 12 | 35.6 Ų | 35.6 | 5% | 0.045 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 123.3 | 178.1 | -79.6 | 95.4 | 0 | 0 | 0 | 110.7 | L1391 T1410 V1411 F1430 | L1391-W1399 HydrophobicContact CB-CE3 4.21Å; L1391-W1399 HydrophobicContact CB-CZ3 4.21Å; L1391-W1399 HydrophobicContact CD2-CB 4.31Å; L1391-W1399 HydrophobicContact CD2-CD2 4.17Å; L1391-W1399 HydrophobicContact CD2-CE3 3.99Å; L1391-W1399 HydrophobicContact CD2-CG 4.33Å; L1391-W1399 HydrophobicContact CG-CE3 4.49Å; W1399-T1410 CarbonylContact O-C 3.59Å; W1399-T1410 VanDerWaalsContact O-CA 3.32Å; W1399-T1410 WeakPolarHBondContact O-CA 3.29Å; W1399-V1411 HydrophobicContact CB-CB 4.22Å; W1399-V1411 PolarHBondContact N-O 3.09Å; W1399-V1411 PolarHBondContact O-N 3.19Å; W1399-F1430 HydrophobicContact CH2-CB 4.28Å; W1399-F1430 WeakPolarHBondContact CH2-O 3.47Å; W1399-F1430 HydrophobicContact CZ2-CB 3.61Å; W1399-F1430 WeakPolarHBondContact CZ2-O 3.3Å |
| 1400 | H | 91.9 | Very high | 87 | Confident | 54 Ų | 54 | 37 Ų | 37 | 25% | 0.25 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 138.4 | 164.1 | -67.4 | -84.1 | 0 | 0 | 0 | 109.1 | S1392 E1393 T1410 | S1392-H1400 PolarHBondContact N-O 3.41Å; S1392-H1400 VanDerWaalsContact OG-C 3.23Å; S1392-H1400 PolarHBondContact OG-O 3.02Å; E1393-H1400 HydrophobicContact CG-CB 3.97Å; E1393-H1400 PolarHBondContact N-O 3.4Å; E1393-H1400 PolarHBondContact O-N 3.1Å; H1400-T1410 VanDerWaalsContact CE1-CG2 3.45Å; H1400-T1410 WeakPolarHBondContact CE1-CG2 3.14Å; H1400-T1410 VanDerWaalsContact ND1-CG2 3.25Å; H1400-T1410 WeakPolarHBondContact ND1-CG2 3.26Å |
| 1401 | V | 93.1 | Very high | 87 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 156 | -178.5 | -50.7 | 0 | 0 | 0 | 0 | 111 | A1389 V1390 L1391 G1409 V1411 F1438 L1452 | A1389-V1401 HydrophobicContact CB-CB 3.93Å; A1389-V1401 HydrophobicContact CB-CG2 3.76Å; V1390-V1401 CarbonylContact O-C 3.58Å; V1390-V1401 VanDerWaalsContact O-CA 3.23Å; V1390-V1401 WeakPolarHBondContact O-CA 3.27Å; V1390-V1401 WeakPolarHBondContact O-CB 3.41Å; L1391-V1401 HydrophobicContact CD2-CG1 3.71Å; V1401-G1409 PolarHBondContact N-O 3.34Å; V1401-G1409 PolarHBondContact O-N 3.32Å; V1401-V1411 HydrophobicContact CG1-CG2 4.3Å; V1401-F1438 HydrophobicContact CG1-CE2 4.21Å; V1401-F1438 HydrophobicContact CG1-CZ 4.4Å; V1401-L1452 HydrophobicContact CG2-CD1 3.44Å; V1401-L1452 VanDerWaalsContact CG2-CD1 3.44Å |
| 1402 | Q | 92 | Very high | 86.9 | Confident | 30 Ų | 30 | 39.8 Ų | 39.8 | 14% | 0.14 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 116.1 | 172.9 | -165.4 | 77.4 | 39.7 | 0 | 0 | 109 | F1305 V1390 N1404 W1407 | F1305-Q1402 HydrophobicContact CE2-CG 4.01Å; F1305-Q1402 HydrophobicContact CZ-CB 4.05Å; F1305-Q1402 HydrophobicContact CZ-CG 3.52Å; V1390-Q1402 HydrophobicContact CG1-CB 3.81Å; V1390-Q1402 WeakPolarHBondContact CG1-O 3.33Å; V1390-Q1402 PolarHBondContact N-O 2.68Å; V1390-Q1402 PolarHBondContact O-N 3.44Å; Q1402-N1404 WeakPolarHBondContact CG-O 3.22Å; Q1402-N1404 PolarHBondContact NE2-O 2.84Å; Q1402-W1407 PolarHBondContact NE2-O 2.95Å |
| 1403 | V | 90.6 | Very high | 86.9 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 5% | 0.048 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -81.1 | -45.2 | -178.3 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | T1307 F1381 A1389 W1407 V1450 | T1307-V1403 WeakPolarHBondContact CG2-O 3.39Å; T1307-V1403 PolarHBondContact OG1-O 2.78Å; F1381-V1403 HydrophobicContact CE1-CG1 4.03Å; F1381-V1403 HydrophobicContact CZ-CG1 3.9Å; A1389-V1403 HydrophobicContact CB-CG2 4.08Å; V1403-W1407 HydrophobicContact CB-CB 4.38Å; V1403-W1407 PolarHBondContact N-O 3.04Å; V1403-W1407 VanDerWaalsContact N-O 3.07Å; V1403-V1450 HydrophobicContact CG2-CG2 3.77Å |
| 1404 | N | 89.7 | Confident | 87 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.027 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -153.2 | 177.4 | 174.3 | 65.7 | 43.5 | 0 | 0 | 0 | 109 | Y1377 Q1378 Q1402 I1406 W1407 | Y1377-N1404 HydrophobicContact CD1-CB 4.26Å; Q1378-N1404 PolarHBondContact O-ND2 2.74Å; Q1402-N1404 WeakPolarHBondContact CG-O 3.22Å; Q1402-N1404 PolarHBondContact NE2-O 2.84Å; N1404-I1406 PolarHBondContact O-N 3.18Å; N1404-I1406 WeakPolarHBondContact OD1-CA 3.44Å; N1404-I1406 WeakPolarHBondContact OD1-CB 3.4Å; N1404-I1406 PolarHBondContact OD1-N 3.46Å; N1404-W1407 PolarHBondContact N-O 3.5Å; N1404-W1407 PolarHBondContact O-N 2.88Å; N1404-W1407 PolarHBondContact OD1-N 3.44Å |
| 1405 | P | 84.5 | Confident | 87.5 | Confident | 32 Ų | 32 | 38.2 Ų | 38.2 | 21% | 0.208 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -57.8 | -12.6 | -178.7 | -32.6 | 41.6 | 0 | 0 | 0 | 116.9 | Y1291 F1305 Y1377 | Y1291-P1405 HydrophobicContact CE1-CG 4.11Å; Y1291-P1405 WeakPolarHBondContact OH-CB 3.44Å; F1305-P1405 HydrophobicContact CB-CG 3.65Å; F1305-P1405 HydrophobicContact CD1-CG 4.15Å; F1305-P1405 HydrophobicContact CD2-CG 3.81Å; F1305-P1405 HydrophobicContact CG-CG 3.59Å; Y1377-P1405 HydrophobicContact CE1-CG 3.87Å; Y1377-P1405 HydrophobicContact CE2-CG 4.21Å |
| 1406 | I | 85.1 | Confident | 87.9 | Confident | 70 Ų | 70 | 32.6 Ų | 32.6 | 36% | 0.359 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -108.9 | -46 | -176.3 | -56.6 | 170.7 | 0 | 0 | 0 | 110.2 | Y1377 N1404 H1448 | Y1377-I1406 HydrophobicContact CD2-CD1 4.18Å; N1404-I1406 PolarHBondContact O-N 3.18Å; N1404-I1406 WeakPolarHBondContact OD1-CA 3.44Å; N1404-I1406 WeakPolarHBondContact OD1-CB 3.4Å; N1404-I1406 PolarHBondContact OD1-N 3.46Å; I1406-H1448 HydrophobicContact CG2-CB 4.34Å |
| 1407 | W | 89.9 | Confident | 88.4 | Confident | 12 Ų | 12 | 27.5 Ų | 27.5 | 5% | 0.045 | 14% | 0.141 | C | C | . | . | trans | -97 | 127.3 | -172.6 | -73.5 | 82.8 | 0 | 0 | 0 | 112.9 | E1379 F1381 Q1402 V1403 N1404 V1443 P1445 H1448 V1450 | E1379-W1407 VanDerWaalsContact O-CZ2 3.25Å; E1379-W1407 WeakPolarHBondContact O-CZ2 3.48Å; F1381-W1407 HydrophobicContact CD2-CD2 4.07Å; F1381-W1407 HydrophobicContact CD2-CE3 4.15Å; F1381-W1407 HydrophobicContact CD2-CH2 4.33Å; F1381-W1407 HydrophobicContact CD2-CZ2 4.31Å; F1381-W1407 HydrophobicContact CD2-CZ3 4.28Å; F1381-W1407 HydrophobicContact CE2-CB 4.23Å; F1381-W1407 AromaticContact CE2-CD1 3.94Å; F1381-W1407 AromaticContact CE2-CD2 3.64Å; F1381-W1407 HydrophobicContact CE2-CD2 3.64Å; F1381-W1407 AromaticContact CE2-CE2 3.86Å; F1381-W1407 HydrophobicContact CE2-CE3 4.11Å; F1381-W1407 AromaticContact CE2-CG 3.7Å; F1381-W1407 HydrophobicContact CE2-CG 3.7Å; F1381-W1407 HydrophobicContact CE2-CZ2 4.44Å; F1381-W1407 HydrophobicContact CZ-CG 4.46Å; Q1402-W1407 PolarHBondContact NE2-O 2.95Å; V1403-W1407 HydrophobicContact CB-CB 4.38Å; V1403-W1407 PolarHBondContact N-O 3.04Å; V1403-W1407 VanDerWaalsContact N-O 3.07Å; N1404-W1407 PolarHBondContact N-O 3.5Å; N1404-W1407 PolarHBondContact O-N 2.88Å; N1404-W1407 PolarHBondContact OD1-N 3.44Å; W1407-V1443 HydrophobicContact CH2-CG1 3.89Å; W1407-V1443 HydrophobicContact CZ3-CG1 3.86Å; W1407-P1445 HydrophobicContact CH2-CB 4.38Å; W1407-H1448 WeakPolarHBondContact CA-O 3.08Å; W1407-H1448 HydrophobicContact CD2-CB 4.06Å; W1407-H1448 AromaticContact CE2-ND1 3.76Å; W1407-H1448 HydrophobicContact CE3-CB 4.27Å; W1407-H1448 HydrophobicContact CG-CB 4.34Å; W1407-H1448 AromaticContact CZ2-ND1 3.91Å; W1407-H1448 AromaticContact NE1-ND1 3.87Å; W1407-V1450 HydrophobicContact CE3-CG1 3.85Å; W1407-V1450 HydrophobicContact CZ3-CG1 3.93Å | ||
| 1408 | K | 92.1 | Very high | 88.7 | Confident | 127 Ų | 127 | 34.4 Ų | 34.4 | 55% | 0.552 | 16% | 0.162 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 160.9 | 173.3 | -62.3 | -174.2 | 176.1 | -176 | 0 | 109.9 | H1448 H1449 V1450 | K1408-H1448 PolarHBondContact N-O 2.75Å; K1408-H1449 CarbonylContact O-C 3.49Å; K1408-H1449 VanDerWaalsContact O-CA 3.27Å; K1408-H1449 WeakPolarHBondContact O-CA 3.46Å; K1408-V1450 WeakPolarHBondContact O-CG2 3.4Å; K1408-V1450 PolarHBondContact O-N 3.44Å |
| 1409 | G | 92.1 | Very high | 88.5 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 166.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1401 V1450 | V1401-G1409 PolarHBondContact N-O 3.34Å; V1401-G1409 PolarHBondContact O-N 3.32Å; G1409-V1450 CarbonylContact C-O 3.51Å; G1409-V1450 WeakPolarHBondContact CA-O 3.42Å |
| 1410 | T | 93.1 | Very high | 88.2 | Confident | 30 Ų | 30 | 33.3 Ų | 33.3 | 18% | 0.184 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 138.7 | 174.1 | 42.4 | 0 | 0 | 0 | 0 | 110.9 | W1399 H1400 H1449 V1450 T1451 L1452 | W1399-T1410 CarbonylContact O-C 3.59Å; W1399-T1410 VanDerWaalsContact O-CA 3.32Å; W1399-T1410 WeakPolarHBondContact O-CA 3.29Å; H1400-T1410 VanDerWaalsContact CE1-CG2 3.45Å; H1400-T1410 WeakPolarHBondContact CE1-CG2 3.14Å; H1400-T1410 VanDerWaalsContact ND1-CG2 3.25Å; H1400-T1410 WeakPolarHBondContact ND1-CG2 3.26Å; T1410-H1449 WeakPolarHBondContact CG2-NE2 3.45Å; T1410-H1449 PolarHBondContact OG1-CE1 2.63Å; T1410-H1449 PolarHBondContact OG1-NE2 2.97Å; T1410-V1450 PolarHBondContact N-O 3.35Å; T1410-T1451 WeakPolarHBondContact O-CA 3.41Å; T1410-L1452 PolarHBondContact O-N 3.5Å |
| 1411 | V | 91.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 115.3 | 170.8 | -172.5 | 0 | 0 | 0 | 0 | 106.7 | N1398 W1399 V1401 H1415 L1416 F1438 L1452 | N1398-V1411 CarbonylContact C-O 3.5Å; N1398-V1411 VanDerWaalsContact CA-O 3.32Å; N1398-V1411 WeakPolarHBondContact CA-O 3.33Å; W1399-V1411 HydrophobicContact CB-CB 4.22Å; W1399-V1411 PolarHBondContact N-O 3.09Å; W1399-V1411 PolarHBondContact O-N 3.19Å; V1401-V1411 HydrophobicContact CG1-CG2 4.3Å; V1411-H1415 HydrophobicContact CG1-CB 4.47Å; V1411-L1416 HydrophobicContact CB-CD2 4.49Å; V1411-L1416 HydrophobicContact CG1-CD2 3.7Å; V1411-L1416 HydrophobicContact CG1-CG 4.31Å; V1411-F1438 HydrophobicContact CG2-CD1 3.81Å; V1411-F1438 HydrophobicContact CG2-CE1 3.69Å; V1411-F1438 HydrophobicContact CG2-CG 4.41Å; V1411-F1438 HydrophobicContact CG2-CZ 4.19Å; V1411-L1452 HydrophobicContact CG2-CB 3.78Å |
| 1412 | D | 88 | Confident | 87.2 | Confident | 59 Ų | 59 | 37.6 Ų | 37.6 | 32% | 0.316 | 19% | 0.186 | S | C | . | . | trans | -66.7 | 142.2 | 174.7 | -171.6 | -79.3 | 0 | 0 | 0 | 109.7 | F1414 H1415 | D1412-F1414 PolarHBondContact O-N 3.11Å; D1412-F1414 VanDerWaalsContact O-N 3.14Å; D1412-F1414 WeakPolarHBondContact OD1-CB 3.49Å; D1412-F1414 WeakPolarHBondContact OD1-CD2 3.47Å; D1412-F1414 PolarHBondContact OD1-N 3.28Å; D1412-H1415 WeakPolarHBondContact O-CA 3.38Å; D1412-H1415 WeakPolarHBondContact O-CB 3.42Å; D1412-H1415 PolarHBondContact O-N 2.91Å | ||
| 1413 | K | 86.9 | Confident | 86.9 | Confident | 28 Ų | 28 | 36.1 Ų | 36.1 | 12% | 0.122 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -55.8 | -31 | -178.7 | 66.3 | -165.2 | -175.5 | 173.1 | 0 | 113.8 | N1396 G1397 N1398 H1415 E1471 F1517 | N1396-K1413 WeakPolarHBondContact O-CD 3.47Å; G1397-K1413 VanDerWaalsContact O-CB 3.32Å; G1397-K1413 WeakPolarHBondContact O-CB 3.46Å; N1398-K1413 PolarHBondContact OD1-N 3.38Å; K1413-H1415 VanDerWaalsContact C-N 3.26Å; K1413-H1415 PolarHBondContact O-N 3.48Å; K1413-E1471 WeakPolarHBondContact CE-OE2 3.47Å; K1413-E1471 IonicContact NZ-OE1 3.47Å; K1413-E1471 PolarHBondContact NZ-OE1 3.41Å; K1413-E1471 IonicContact NZ-OE2 2.89Å; K1413-E1471 PolarHBondContact NZ-OE2 3.29Å; K1413-F1517 HydrophobicContact CB-CZ 4.27Å; K1413-F1517 HydrophobicContact CD-CZ 4.12Å; K1413-F1517 HydrophobicContact CG-CE1 4.41Å; K1413-F1517 HydrophobicContact CG-CZ 4.12Å |
| 1414 | F | 88.3 | Confident | 86.5 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 6% | 0.057 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -77 | -10.8 | 175.4 | -66.3 | -77.2 | 0 | 0 | 0 | 113.6 | D1412 E1471 N1484 I1486 F1517 | D1412-F1414 PolarHBondContact O-N 3.11Å; D1412-F1414 VanDerWaalsContact O-N 3.14Å; D1412-F1414 WeakPolarHBondContact OD1-CB 3.49Å; D1412-F1414 WeakPolarHBondContact OD1-CD2 3.47Å; D1412-F1414 PolarHBondContact OD1-N 3.28Å; F1414-E1471 HydrophobicContact CE1-CB 4.29Å; F1414-E1471 HydrophobicContact CZ-CB 3.96Å; F1414-N1484 HydrophobicContact CZ-CB 4.08Å; F1414-N1484 WeakPolarHBondContact CZ-O 3.15Å; F1414-I1486 HydrophobicContact CB-CG1 4.03Å; F1414-I1486 HydrophobicContact CD1-CG1 4.1Å; F1414-I1486 HydrophobicContact CG-CG1 4.16Å; F1414-F1517 HydrophobicContact CD1-CE1 4.19Å; F1414-F1517 HydrophobicContact CE1-CD1 4.29Å; F1414-F1517 AromaticContact CE1-CE1 3.89Å; F1414-F1517 HydrophobicContact CE1-CE1 3.89Å; F1414-F1517 HydrophobicContact CZ-CE1 4.32Å |
| 1415 | H | 88.1 | Confident | 86 | Confident | 24 Ų | 24 | 43.9 Ų | 43.9 | 11% | 0.111 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -100.7 | 9.4 | 177.3 | -57.3 | 171.2 | 0 | 0 | 0 | 112.7 | V1411 D1412 K1413 T1454 C1458 | V1411-H1415 HydrophobicContact CG1-CB 4.47Å; D1412-H1415 WeakPolarHBondContact O-CA 3.38Å; D1412-H1415 WeakPolarHBondContact O-CB 3.42Å; D1412-H1415 PolarHBondContact O-N 2.91Å; K1413-H1415 VanDerWaalsContact C-N 3.26Å; K1413-H1415 PolarHBondContact O-N 3.48Å; H1415-T1454 PolarHBondContact O-N 2.96Å; H1415-T1454 PolarHBondContact O-OG1 2.81Å; H1415-C1458 PolarHBondContact CD2-SG 2.99Å; H1415-C1458 PolarHBondContact NE2-SG 3.43Å |
| 1416 | L | 87.2 | Confident | 85.8 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -82.1 | -15.2 | 175.6 | -69.4 | 174 | 0 | 0 | 0 | 114 | V1411 I1423 A1426 L1427 F1430 T1454 | V1411-L1416 HydrophobicContact CB-CD2 4.49Å; V1411-L1416 HydrophobicContact CG1-CD2 3.7Å; V1411-L1416 HydrophobicContact CG1-CG 4.31Å; L1416-I1423 HydrophobicContact CB-CG1 4.4Å; L1416-I1423 HydrophobicContact CB-CG2 4.42Å; L1416-A1426 HydrophobicContact CB-CB 3.95Å; L1416-L1427 HydrophobicContact CD1-CD2 3.79Å; L1416-L1427 HydrophobicContact CD1-CG 4.08Å; L1416-F1430 HydrophobicContact CD2-CD2 4.4Å; L1416-F1430 HydrophobicContact CD2-CE2 3.97Å; L1416-T1454 WeakPolarHBondContact CA-OG1 3.44Å; L1416-T1454 HydrophobicContact CD2-CG2 4.1Å; L1416-T1454 PolarHBondContact O-OG1 3.21Å |
| 1417 | G | 83.5 | Confident | 85.6 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | trans | -171.3 | 161.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1422 Y1455 | G1417-E1422 WeakPolarHBondContact CA-OE2 3.38Å; G1417-Y1455 VanDerWaalsContact C-CE1 3.45Å; G1417-Y1455 WeakPolarHBondContact O-CE1 3.42Å | ||
| 1418 | R | 81.1 | Confident | 85 | Confident | 163 Ų | 163 | 47.2 Ų | 47.2 | 62% | 0.615 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -82.5 | -25.1 | -179.3 | -63 | 175.9 | 179.7 | 172.9 | 0.5 | 113 | E1422 Y1455 V1469 | R1418-E1422 WeakPolarHBondContact CB-OE2 3.44Å; R1418-E1422 PolarHBondContact N-OE2 2.78Å; R1418-Y1455 HydrophobicContact CG-CD1 4Å; R1418-Y1455 HydrophobicContact CG-CD2 3.92Å; R1418-Y1455 HydrophobicContact CG-CE1 4.17Å; R1418-Y1455 HydrophobicContact CG-CE2 4.07Å; R1418-Y1455 HydrophobicContact CG-CG 3.88Å; R1418-V1469 WeakPolarHBondContact O-CG2 3.47Å |
| 1419 | C | 80.7 | Confident | 84.4 | Confident | 33 Ų | 33 | 45.5 Ų | 45.5 | 22% | 0.223 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -134.1 | 166.2 | 179.1 | 61 | 0 | 0 | 0 | 0 | 111 | S1421 E1422 I1423 | C1419-S1421 PolarHBondContact O-N 3.12Å; C1419-S1421 PolarHBondContact SG-OG 3.14Å; C1419-E1422 PolarHBondContact O-N 3.16Å; C1419-I1423 PolarHBondContact O-N 3.43Å |
| 1420 | A | 82.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.6 | -26.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1424 V1469 F1517 D1519 | A1420-R1424 WeakPolarHBondContact O-CG 3.3Å; A1420-R1424 PolarHBondContact O-N 2.98Å; A1420-R1424 PolarHBondContact O-NE 2.89Å; A1420-V1469 HydrophobicContact CB-CG1 4.06Å; A1420-F1517 HydrophobicContact CB-CB 4.06Å; A1420-F1517 WeakPolarHBondContact CB-O 3.35Å; A1420-D1519 WeakPolarHBondContact CB-OD1 3.02Å; A1420-D1519 PolarHBondContact N-OD1 3.26Å |
| 1421 | S | 80.7 | Confident | 83.6 | Confident | 63 Ų | 63 | 49.9 Ų | 49.9 | 44% | 0.441 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -76.2 | -40.5 | 176.7 | 54.2 | 0 | 0 | 0 | 0 | 112 | C1419 R1424 T1425 | C1419-S1421 PolarHBondContact O-N 3.12Å; C1419-S1421 PolarHBondContact SG-OG 3.14Å; S1421-R1424 PolarHBondContact O-N 3.36Å; S1421-T1425 WeakPolarHBondContact O-CB 3.35Å; S1421-T1425 PolarHBondContact O-N 3.41Å; S1421-T1425 PolarHBondContact O-OG1 3.26Å |
| 1422 | E | 83.8 | Confident | 83.2 | Confident | 82 Ų | 82 | 52.3 Ų | 52.3 | 38% | 0.383 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 174.9 | -74.6 | 174.3 | -149.5 | 0 | 0 | 111.7 | G1417 R1418 C1419 R1424 T1425 A1426 | G1417-E1422 WeakPolarHBondContact CA-OE2 3.38Å; R1418-E1422 WeakPolarHBondContact CB-OE2 3.44Å; R1418-E1422 PolarHBondContact N-OE2 2.78Å; C1419-E1422 PolarHBondContact O-N 3.16Å; E1422-R1424 VanDerWaalsContact C-N 3.33Å; E1422-R1424 PolarHBondContact O-N 3Å; E1422-T1425 WeakPolarHBondContact O-CB 3.48Å; E1422-T1425 PolarHBondContact O-N 2.8Å; E1422-A1426 WeakPolarHBondContact O-CB 3.44Å; E1422-A1426 PolarHBondContact O-N 2.72Å |
| 1423 | I | 85.2 | Confident | 83 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 177.7 | -63.9 | -176.7 | 0 | 0 | 0 | 111 | L1416 C1419 A1426 L1427 V1469 F1517 | L1416-I1423 HydrophobicContact CB-CG1 4.4Å; L1416-I1423 HydrophobicContact CB-CG2 4.42Å; C1419-I1423 PolarHBondContact O-N 3.43Å; I1423-A1426 PolarHBondContact O-N 2.92Å; I1423-L1427 HydrophobicContact CG2-CD1 3.9Å; I1423-L1427 HydrophobicContact CG2-CG 4.35Å; I1423-L1427 WeakPolarHBondContact O-CG 3.4Å; I1423-L1427 PolarHBondContact O-N 3.24Å; I1423-V1469 HydrophobicContact CD1-CB 4.11Å; I1423-V1469 HydrophobicContact CD1-CG1 3.68Å; I1423-V1469 HydrophobicContact CD1-CG2 4.27Å; I1423-F1517 HydrophobicContact CD1-CD1 4.17Å; I1423-F1517 HydrophobicContact CD1-CE1 4.41Å; I1423-F1517 HydrophobicContact CG2-CD1 4.14Å; I1423-F1517 HydrophobicContact CG2-CD2 3.89Å; I1423-F1517 HydrophobicContact CG2-CE1 4.15Å; I1423-F1517 HydrophobicContact CG2-CE2 3.94Å; I1423-F1517 HydrophobicContact CG2-CG 3.99Å; I1423-F1517 HydrophobicContact CG2-CZ 4.06Å |
| 1424 | R | 81.5 | Confident | 82.9 | Confident | 98 Ų | 98 | 50 Ų | 50 | 37% | 0.37 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.3 | -48.1 | 175.1 | -83.1 | -179.5 | -90.2 | 174.9 | -8.3 | 111.3 | A1420 S1421 E1422 A1426 L1427 D1428 F1517 | A1420-R1424 WeakPolarHBondContact O-CG 3.3Å; A1420-R1424 PolarHBondContact O-N 2.98Å; A1420-R1424 PolarHBondContact O-NE 2.89Å; S1421-R1424 PolarHBondContact O-N 3.36Å; E1422-R1424 VanDerWaalsContact C-N 3.33Å; E1422-R1424 PolarHBondContact O-N 3Å; R1424-A1426 VanDerWaalsContact C-N 3.25Å; R1424-A1426 PolarHBondContact O-N 2.85Å; R1424-L1427 PolarHBondContact O-N 2.98Å; R1424-L1427 VanDerWaalsContact O-N 3.16Å; R1424-D1428 WeakPolarHBondContact O-CB 3.35Å; R1424-D1428 VanDerWaalsContact O-CG 3.29Å; R1424-D1428 PolarHBondContact O-N 2.9Å; R1424-F1517 PolarHBondContact NH2-O 3.37Å |
| 1425 | T | 80.4 | Confident | 82.9 | Confident | 77 Ų | 77 | 49.5 Ų | 49.5 | 47% | 0.472 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.8 | -37.9 | 177.4 | -53.1 | 0 | 0 | 0 | 0 | 111.8 | S1421 E1422 N1429 | S1421-T1425 WeakPolarHBondContact O-CB 3.35Å; S1421-T1425 PolarHBondContact O-N 3.41Å; S1421-T1425 PolarHBondContact O-OG1 3.26Å; E1422-T1425 WeakPolarHBondContact O-CB 3.48Å; E1422-T1425 PolarHBondContact O-N 2.8Å; T1425-N1429 VanDerWaalsContact CG2-ND2 3.28Å; T1425-N1429 WeakPolarHBondContact CG2-ND2 3.45Å; T1425-N1429 VanDerWaalsContact O-CB 3.25Å; T1425-N1429 WeakPolarHBondContact O-CB 3.34Å; T1425-N1429 PolarHBondContact O-N 2.98Å; T1425-N1429 VanDerWaalsContact O-N 3.16Å; T1425-N1429 PolarHBondContact O-ND2 3.32Å |
| 1426 | A | 80.8 | Confident | 83 | Confident | 9 Ų | 9 | 50.6 Ų | 50.6 | 7% | 0.074 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.7 | -45.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1416 E1422 I1423 R1424 D1428 N1429 F1430 | L1416-A1426 HydrophobicContact CB-CB 3.95Å; E1422-A1426 WeakPolarHBondContact O-CB 3.44Å; E1422-A1426 PolarHBondContact O-N 2.72Å; I1423-A1426 PolarHBondContact O-N 2.92Å; R1424-A1426 VanDerWaalsContact C-N 3.25Å; R1424-A1426 PolarHBondContact O-N 2.85Å; A1426-D1428 VanDerWaalsContact C-N 3.28Å; A1426-D1428 PolarHBondContact O-N 3.28Å; A1426-N1429 PolarHBondContact O-N 3.22Å; A1426-F1430 HydrophobicContact CB-CD1 4.17Å; A1426-F1430 HydrophobicContact CB-CE1 3.85Å; A1426-F1430 HydrophobicContact CB-CZ 4.13Å; A1426-F1430 WeakPolarHBondContact O-CB 3.25Å; A1426-F1430 WeakPolarHBondContact O-CD1 3.41Å; A1426-F1430 WeakPolarHBondContact O-CG 3.41Å; A1426-F1430 PolarHBondContact O-N 3.33Å |
| 1427 | L | 80.2 | Confident | 83.2 | Confident | 55 Ų | 55 | 52.9 Ų | 52.9 | 29% | 0.288 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.4 | -34.6 | 178.3 | -73.2 | 170.1 | 0 | 0 | 0 | 112.8 | L1416 I1423 R1424 F1517 | L1416-L1427 HydrophobicContact CD1-CD2 3.79Å; L1416-L1427 HydrophobicContact CD1-CG 4.08Å; I1423-L1427 HydrophobicContact CG2-CD1 3.9Å; I1423-L1427 HydrophobicContact CG2-CG 4.35Å; I1423-L1427 WeakPolarHBondContact O-CG 3.4Å; I1423-L1427 PolarHBondContact O-N 3.24Å; R1424-L1427 PolarHBondContact O-N 2.98Å; R1424-L1427 VanDerWaalsContact O-N 3.16Å; L1427-F1517 HydrophobicContact CD1-CD2 4.13Å; L1427-F1517 HydrophobicContact CD1-CE2 3.61Å; L1427-F1517 HydrophobicContact CD1-CZ 4.46Å |
| 1428 | D | 78 | Confident | 83.7 | Confident | 121 Ų | 121 | 52.9 Ų | 52.9 | 65% | 0.647 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -81.3 | -30.5 | -179.2 | -64.7 | -25.4 | 0 | 0 | 0 | 112.7 | R1424 A1426 | R1424-D1428 WeakPolarHBondContact O-CB 3.35Å; R1424-D1428 VanDerWaalsContact O-CG 3.29Å; R1424-D1428 PolarHBondContact O-N 2.9Å; A1426-D1428 VanDerWaalsContact C-N 3.28Å; A1426-D1428 PolarHBondContact O-N 3.28Å |
| 1429 | N | 78.9 | Confident | 84.2 | Confident | 91 Ų | 91 | 48 Ų | 48 | 49% | 0.487 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -102.4 | -16.6 | -173.2 | -67.5 | -49.7 | 0 | 0 | 0 | 115.3 | T1425 A1426 K1431 | T1425-N1429 VanDerWaalsContact CG2-ND2 3.28Å; T1425-N1429 WeakPolarHBondContact CG2-ND2 3.45Å; T1425-N1429 VanDerWaalsContact O-CB 3.25Å; T1425-N1429 WeakPolarHBondContact O-CB 3.34Å; T1425-N1429 PolarHBondContact O-N 2.98Å; T1425-N1429 VanDerWaalsContact O-N 3.16Å; T1425-N1429 PolarHBondContact O-ND2 3.32Å; A1426-N1429 PolarHBondContact O-N 3.22Å; N1429-K1431 PolarHBondContact O-N 2.74Å |
| 1430 | F | 85.5 | Confident | 84.7 | Confident | 20 Ų | 20 | 46.5 Ų | 46.5 | 9% | 0.088 | 24% | 0.24 | C | C | . | . | trans | -77.9 | 121.1 | -179.6 | -80.6 | 33 | 0 | 0 | 0 | 109.4 | L1391 W1399 L1416 A1426 R1436 F1438 T1454 | L1391-F1430 HydrophobicContact CD1-CB 3.72Å; L1391-F1430 HydrophobicContact CD1-CD2 3.66Å; L1391-F1430 HydrophobicContact CD1-CG 3.88Å; L1391-F1430 HydrophobicContact CD2-CD2 4.11Å; W1399-F1430 HydrophobicContact CH2-CB 4.28Å; W1399-F1430 WeakPolarHBondContact CH2-O 3.47Å; W1399-F1430 HydrophobicContact CZ2-CB 3.61Å; W1399-F1430 WeakPolarHBondContact CZ2-O 3.3Å; L1416-F1430 HydrophobicContact CD2-CD2 4.4Å; L1416-F1430 HydrophobicContact CD2-CE2 3.97Å; A1426-F1430 HydrophobicContact CB-CD1 4.17Å; A1426-F1430 HydrophobicContact CB-CE1 3.85Å; A1426-F1430 HydrophobicContact CB-CZ 4.13Å; A1426-F1430 WeakPolarHBondContact O-CB 3.25Å; A1426-F1430 WeakPolarHBondContact O-CD1 3.41Å; A1426-F1430 WeakPolarHBondContact O-CG 3.41Å; A1426-F1430 PolarHBondContact O-N 3.33Å; F1430-R1436 VanDerWaalsContact CD1-NH2 3.32Å; F1430-F1438 HydrophobicContact CE2-CE1 4.16Å; F1430-F1438 HydrophobicContact CE2-CZ 4.27Å; F1430-T1454 HydrophobicContact CE2-CG2 4.26Å; F1430-T1454 HydrophobicContact CZ-CG2 4.03Å | ||
| 1431 | K | 82.6 | Confident | 84.9 | Confident | 103 Ų | 103 | 48 Ų | 48 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | trans | -114.5 | 146.5 | 176.2 | -61.2 | -169.1 | 169.4 | -161.1 | 0 | 111.6 | E87 L1391 N1429 Q1434 | E87-K1431 IonicContact OE2-NZ 3.54Å; E87-K1431 PolarHBondContact OE2-NZ 3.25Å; L1391-K1431 WeakPolarHBondContact CD1-O 3.26Å; N1429-K1431 PolarHBondContact O-N 2.74Å; K1431-Q1434 HydrophobicContact CB-CG 4.12Å; K1431-Q1434 WeakPolarHBondContact O-CB 3.27Å; K1431-Q1434 WeakPolarHBondContact O-CG 3.25Å; K1431-Q1434 PolarHBondContact O-N 3.07Å | ||
| 1432 | S | 83.4 | Confident | 85.2 | Confident | 51 Ų | 51 | 46 Ų | 46 | 36% | 0.357 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 142.2 | 173.2 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | S1392 Q1434 | S1392-S1432 PolarHBondContact O-OG 2.9Å; S1432-Q1434 VanDerWaalsContact C-N 3.33Å; S1432-Q1434 PolarHBondContact O-N 2.89Å |
| 1433 | G | 82.9 | Confident | 85.4 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 19% | 0.186 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | -16 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | V1390 L1391 | V1390-G1433 WeakPolarHBondContact CG2-O 3.33Å; L1391-G1433 PolarHBondContact O-N 3.25Å |
| 1434 | Q | 86.3 | Confident | 85.6 | Confident | 22 Ų | 22 | 48.8 Ų | 48.8 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | trans | -70 | 138.8 | 176.8 | -67.8 | 178.6 | -15.3 | 0 | 0 | 111.5 | H1318 V1390 L1391 K1431 S1432 | H1318-Q1434 WeakPolarHBondContact CE1-CG 3.47Å; H1318-Q1434 VanDerWaalsContact NE2-CG 3.31Å; H1318-Q1434 WeakPolarHBondContact NE2-CG 3.4Å; V1390-Q1434 WeakPolarHBondContact CA-O 3.42Å; L1391-Q1434 HydrophobicContact CD1-CB 4.33Å; L1391-Q1434 PolarHBondContact N-O 3.28Å; K1431-Q1434 HydrophobicContact CB-CG 4.12Å; K1431-Q1434 WeakPolarHBondContact O-CB 3.27Å; K1431-Q1434 WeakPolarHBondContact O-CG 3.25Å; K1431-Q1434 PolarHBondContact O-N 3.07Å; S1432-Q1434 VanDerWaalsContact C-N 3.33Å; S1432-Q1434 PolarHBondContact O-N 2.89Å | ||
| 1435 | L | 88.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 126 | 168.2 | -75.8 | 173.5 | 0 | 0 | 0 | 110.5 | I1306 T1307 V1313 G1316 S1317 L1319 T1388 V1390 | I1306-L1435 HydrophobicContact CD1-CD1 4.33Å; I1306-L1435 HydrophobicContact CD1-CG 4.2Å; I1306-L1435 HydrophobicContact CG1-CD1 4.06Å; I1306-L1435 HydrophobicContact CG1-CG 4.37Å; I1306-L1435 HydrophobicContact CG2-CD2 4.21Å; T1307-L1435 HydrophobicContact CG2-CD2 3.59Å; V1313-L1435 HydrophobicContact CG1-CB 4.02Å; V1313-L1435 HydrophobicContact CG1-CD1 3.7Å; V1313-L1435 HydrophobicContact CG2-CD1 4.44Å; G1316-L1435 VanDerWaalsContact CA-O 3.3Å; G1316-L1435 WeakPolarHBondContact CA-O 3.43Å; G1316-L1435 PolarHBondContact N-O 2.93Å; S1317-L1435 PolarHBondContact O-N 3.06Å; L1319-L1435 HydrophobicContact CB-CD1 4.22Å; L1319-L1435 HydrophobicContact CD1-CD1 3.42Å; L1319-L1435 VanDerWaalsContact CD1-CD1 3.42Å; L1319-L1435 HydrophobicContact CG-CD1 3.76Å; T1388-L1435 HydrophobicContact CG2-CB 4.33Å; T1388-L1435 HydrophobicContact CG2-CD2 4.28Å; V1390-L1435 HydrophobicContact CB-CD2 3.83Å |
| 1436 | R | 90.4 | Very high | 85.5 | Confident | 48 Ų | 48 | 54 Ų | 54 | 18% | 0.181 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 153.4 | -179.6 | -75.3 | -93 | -172.7 | 177.2 | 1.9 | 112.1 | D1315 T1388 A1389 L1391 F1430 F1438 | D1315-R1436 WeakPolarHBondContact OD1-CA 3.4Å; D1315-R1436 WeakPolarHBondContact OD1-CD 3.46Å; D1315-R1436 IonicContact OD2-NH1 2.71Å; T1388-R1436 WeakPolarHBondContact CA-O 3.31Å; A1389-R1436 PolarHBondContact N-O 2.73Å; A1389-R1436 PolarHBondContact O-N 3.28Å; L1391-R1436 HydrophobicContact CD1-CG 4.12Å; L1391-R1436 HydrophobicContact CG-CG 4.35Å; F1430-R1436 VanDerWaalsContact CD1-NH2 3.32Å; R1436-F1438 HydrophobicContact CB-CD2 4.35Å; R1436-F1438 HydrophobicContact CB-CE1 4.45Å; R1436-F1438 HydrophobicContact CB-CE2 3.47Å; R1436-F1438 VanDerWaalsContact CB-CE2 3.47Å; R1436-F1438 HydrophobicContact CB-CZ 3.53Å; R1436-F1438 HydrophobicContact CG-CZ 4.4Å |
| 1437 | H | 91.3 | Very high | 85.5 | Confident | 55 Ų | 55 | 59.4 Ų | 59.4 | 26% | 0.255 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 135.1 | 173.3 | -63.4 | 131.6 | 0 | 0 | 0 | 111.8 | V1313 D1315 L1386 T1388 | V1313-H1437 PolarHBondContact O-CE1 2.93Å; V1313-H1437 PolarHBondContact O-NE2 3.38Å; D1315-H1437 IonicContact OD1-CG 2.89Å; D1315-H1437 PolarHBondContact OD1-N 3.43Å; D1315-H1437 IonicContact OD1-ND1 3.55Å; L1386-H1437 HydrophobicContact CD1-CB 4.1Å; T1388-H1437 PolarHBondContact OG1-CD2 3.16Å; T1388-H1437 PolarHBondContact OG1-NE2 2.94Å |
| 1438 | F | 93.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 152.6 | 179.5 | -59.1 | -78.8 | 0 | 0 | 0 | 111.6 | L1386 V1387 A1389 L1391 V1401 V1411 F1430 R1436 L1452 S1453 T1454 | L1386-F1438 CarbonylContact C-O 3.57Å; L1386-F1438 WeakPolarHBondContact CA-O 3.39Å; V1387-F1438 HydrophobicContact CG2-CB 4.45Å; V1387-F1438 WeakPolarHBondContact CG2-O 3.38Å; V1387-F1438 PolarHBondContact N-O 2.79Å; V1387-F1438 PolarHBondContact O-N 2.89Å; A1389-F1438 HydrophobicContact CB-CD2 4.07Å; A1389-F1438 HydrophobicContact CB-CE2 4.23Å; L1391-F1438 HydrophobicContact CD2-CE2 4.35Å; L1391-F1438 HydrophobicContact CD2-CZ 3.8Å; V1401-F1438 HydrophobicContact CG1-CE2 4.21Å; V1401-F1438 HydrophobicContact CG1-CZ 4.4Å; V1411-F1438 HydrophobicContact CG2-CD1 3.81Å; V1411-F1438 HydrophobicContact CG2-CE1 3.69Å; V1411-F1438 HydrophobicContact CG2-CG 4.41Å; V1411-F1438 HydrophobicContact CG2-CZ 4.19Å; F1430-F1438 HydrophobicContact CE2-CE1 4.16Å; F1430-F1438 HydrophobicContact CE2-CZ 4.27Å; R1436-F1438 HydrophobicContact CB-CD2 4.35Å; R1436-F1438 HydrophobicContact CB-CE1 4.45Å; R1436-F1438 HydrophobicContact CB-CE2 3.47Å; R1436-F1438 VanDerWaalsContact CB-CE2 3.47Å; R1436-F1438 HydrophobicContact CB-CZ 3.53Å; R1436-F1438 HydrophobicContact CG-CZ 4.4Å; F1438-L1452 HydrophobicContact CB-CB 3.94Å; F1438-L1452 HydrophobicContact CB-CD1 4.05Å; F1438-L1452 HydrophobicContact CB-CD2 4.3Å; F1438-L1452 HydrophobicContact CB-CG 4.32Å; F1438-L1452 HydrophobicContact CD2-CD1 4.22Å; F1438-L1452 HydrophobicContact CG-CB 4.34Å; F1438-L1452 HydrophobicContact CG-CD1 4.22Å; F1438-S1453 CarbonylContact C-O 3.56Å; F1438-S1453 WeakPolarHBondContact CA-O 3.48Å; F1438-T1454 HydrophobicContact CD1-CG2 4.1Å; F1438-T1454 HydrophobicContact CE1-CG2 3.89Å |
| 1439 | Y | 92.1 | Very high | 86.5 | Confident | 61 Ų | 61 | 56.9 Ų | 56.9 | 24% | 0.239 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 132.9 | 172.4 | -63 | -90.8 | 0 | 0 | 0 | 110.7 | E1385 L1386 T1441 L1452 S1453 E1456 | E1385-Y1439 WeakPolarHBondContact O-CA 3.14Å; L1386-Y1439 HydrophobicContact CB-CE1 4.46Å; L1386-Y1439 HydrophobicContact CD1-CD1 4.02Å; L1386-Y1439 HydrophobicContact CD1-CD2 4.16Å; L1386-Y1439 HydrophobicContact CD1-CE1 3.77Å; L1386-Y1439 HydrophobicContact CD1-CE2 3.89Å; L1386-Y1439 HydrophobicContact CD1-CG 4.23Å; Y1439-T1441 PolarHBondContact O-N 3.17Å; Y1439-L1452 CarbonylContact O-C 3.59Å; Y1439-L1452 WeakPolarHBondContact O-CA 3.26Å; Y1439-S1453 PolarHBondContact N-O 3.14Å; Y1439-S1453 PolarHBondContact O-N 2.82Å; Y1439-S1453 PolarHBondContact O-OG 2.89Å; Y1439-E1456 HydrophobicContact CD1-CB 4.17Å; Y1439-E1456 HydrophobicContact CD1-CG 4.17Å; Y1439-E1456 HydrophobicContact CD2-CB 4.5Å; Y1439-E1456 HydrophobicContact CE1-CB 3.93Å; Y1439-E1456 HydrophobicContact CE1-CG 4.07Å; Y1439-E1456 HydrophobicContact CE2-CB 4.31Å; Y1439-E1456 HydrophobicContact CG-CB 4.42Å |
| 1440 | V | 91.1 | Very high | 87.1 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 114.6 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | S1382 K1383 G1384 E1385 V1387 V1443 L1452 | S1382-V1440 WeakPolarHBondContact O-CB 3.38Å; K1383-V1440 CarbonylContact C-O 3.42Å; K1383-V1440 WeakPolarHBondContact CA-O 3.25Å; G1384-V1440 PolarHBondContact N-O 2.86Å; E1385-V1440 HydrophobicContact CB-CG2 4.38Å; E1385-V1440 WeakPolarHBondContact O-CG2 3.31Å; E1385-V1440 PolarHBondContact O-N 3.07Å; V1387-V1440 HydrophobicContact CG1-CG2 3.82Å; V1387-V1440 HydrophobicContact CG2-CG2 3.81Å; V1440-V1443 HydrophobicContact CG1-CG2 3.53Å; V1440-L1452 HydrophobicContact CB-CD2 4.36Å; V1440-L1452 HydrophobicContact CG2-CD2 3.8Å |
| 1441 | T | 86.4 | Confident | 87.4 | Confident | 31 Ų | 31 | 53.8 Ų | 53.8 | 19% | 0.19 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -25.2 | 176.9 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | K1383 Y1439 T1451 S1453 C1458 | K1383-T1441 WeakPolarHBondContact CD-O 3.5Å; K1383-T1441 WeakPolarHBondContact CE-O 3.47Å; Y1439-T1441 PolarHBondContact O-N 3.17Å; T1441-T1451 PolarHBondContact N-O 2.82Å; T1441-T1451 WeakPolarHBondContact OG1-CB 3.29Å; T1441-T1451 PolarHBondContact OG1-O 2.89Å; T1441-T1451 PolarHBondContact OG1-OG1 2.83Å; T1441-T1451 VanDerWaalsContact OG1-OG1 3.1Å; T1441-S1453 VanDerWaalsContact CG2-OG 3.27Å; T1441-S1453 WeakPolarHBondContact CG2-OG 3.34Å; T1441-C1458 HydrophobicContact CG2-CB 4.28Å |
| 1442 | G | 87.3 | Confident | 87.8 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.5 | 147.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1451 | G1442-T1451 WeakPolarHBondContact CA-OG1 3.32Å; G1442-T1451 PolarHBondContact N-O 2.93Å; G1442-T1451 PolarHBondContact N-OG1 3.44Å; G1442-T1451 PolarHBondContact O-N 3.07Å; G1442-T1451 PolarHBondContact O-OG1 3.25Å |
| 1443 | V | 88.7 | Confident | 88.2 | Confident | 47 Ų | 47 | 46.5 Ų | 46.5 | 29% | 0.285 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 130.3 | -173.7 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | F1381 W1407 V1440 P1445 V1450 | F1381-V1443 HydrophobicContact CB-CG1 4.48Å; F1381-V1443 HydrophobicContact CB-CG2 3.92Å; W1407-V1443 HydrophobicContact CH2-CG1 3.89Å; W1407-V1443 HydrophobicContact CZ3-CG1 3.86Å; V1440-V1443 HydrophobicContact CG1-CG2 3.53Å; V1443-P1445 HydrophobicContact CG1-CG 4.25Å; V1443-P1445 WeakPolarHBondContact O-CD 3.21Å; V1443-V1450 HydrophobicContact CG1-CG1 4.3Å; V1443-V1450 HydrophobicContact CG2-CG1 4.3Å |
| 1444 | Q | 88.5 | Confident | 88.4 | Confident | 93 Ų | 93 | 47.5 Ų | 47.5 | 44% | 0.435 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 91 | 174.5 | -69.2 | 173.8 | -19.2 | 0 | 0 | 109 | K1446 D1447 H1448 H1449 | Q1444-K1446 VanDerWaalsContact C-N 3.34Å; Q1444-K1446 PolarHBondContact O-N 2.95Å; Q1444-D1447 PolarHBondContact O-N 2.81Å; Q1444-H1448 PolarHBondContact O-N 3.35Å; Q1444-H1449 WeakPolarHBondContact CA-O 3.46Å; Q1444-H1449 HydrophobicContact CB-CB 4.39Å; Q1444-H1449 WeakPolarHBondContact CB-O 3.48Å; Q1444-H1449 PolarHBondContact N-O 2.79Å; Q1444-H1449 PolarHBondContact O-N 3.1Å; Q1444-H1449 PolarHBondContact OE1-ND1 2.89Å; Q1444-H1449 VanDerWaalsContact OE1-ND1 3.11Å |
| 1445 | P | 81.4 | Confident | 88.3 | Confident | 87 Ų | 87 | 48 Ų | 48 | 57% | 0.565 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -67 | -31.5 | -170.2 | -19.8 | 31.1 | 0 | 0 | 0 | 114.5 | W1407 V1443 D1447 | W1407-P1445 HydrophobicContact CH2-CB 4.38Å; V1443-P1445 HydrophobicContact CG1-CG 4.25Å; V1443-P1445 WeakPolarHBondContact O-CD 3.21Å; P1445-D1447 VanDerWaalsContact C-N 3.33Å; P1445-D1447 PolarHBondContact O-N 2.92Å |
| 1446 | K | 78.2 | Confident | 87.9 | Confident | 198 Ų | 198 | 52.8 Ų | 52.8 | 86% | 0.861 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -68.6 | -32.4 | -177.2 | -69.4 | -175.5 | 177.9 | 179.1 | 0 | 112.8 | Q1444 | Q1444-K1446 VanDerWaalsContact C-N 3.34Å; Q1444-K1446 PolarHBondContact O-N 2.95Å |
| 1447 | D | 80.2 | Confident | 86.9 | Confident | 121 Ų | 121 | 57.4 Ų | 57.4 | 65% | 0.647 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -101.4 | 2.6 | -176 | -56.7 | -40.5 | 0 | 0 | 0 | 112.4 | Q1444 P1445 H1449 | Q1444-D1447 PolarHBondContact O-N 2.81Å; P1445-D1447 VanDerWaalsContact C-N 3.33Å; P1445-D1447 PolarHBondContact O-N 2.92Å; D1447-H1449 HydrophobicContact CB-CB 4.24Å; D1447-H1449 PolarHBondContact O-N 3.03Å |
| 1448 | H | 87.1 | Confident | 85.7 | Confident | 86 Ų | 86 | 56 Ų | 56 | 40% | 0.398 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 46.5 | -171 | -59.6 | -64.2 | 0 | 0 | 0 | 112.2 | I1406 W1407 K1408 Q1444 | I1406-H1448 HydrophobicContact CG2-CB 4.34Å; W1407-H1448 WeakPolarHBondContact CA-O 3.08Å; W1407-H1448 HydrophobicContact CD2-CB 4.06Å; W1407-H1448 AromaticContact CE2-ND1 3.76Å; W1407-H1448 HydrophobicContact CE3-CB 4.27Å; W1407-H1448 HydrophobicContact CG-CB 4.34Å; W1407-H1448 AromaticContact CZ2-ND1 3.91Å; W1407-H1448 AromaticContact NE1-ND1 3.87Å; K1408-H1448 PolarHBondContact N-O 2.75Å; Q1444-H1448 PolarHBondContact O-N 3.35Å |
| 1449 | H | 92.5 | Very high | 84.4 | Confident | 38 Ų | 38 | 61.1 Ų | 61.1 | 18% | 0.176 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135.4 | -174.2 | -176.4 | -105.1 | 0 | 0 | 0 | 111.9 | K1408 T1410 Q1444 D1447 | K1408-H1449 CarbonylContact O-C 3.49Å; K1408-H1449 VanDerWaalsContact O-CA 3.27Å; K1408-H1449 WeakPolarHBondContact O-CA 3.46Å; T1410-H1449 WeakPolarHBondContact CG2-NE2 3.45Å; T1410-H1449 PolarHBondContact OG1-CE1 2.63Å; T1410-H1449 PolarHBondContact OG1-NE2 2.97Å; Q1444-H1449 WeakPolarHBondContact CA-O 3.46Å; Q1444-H1449 HydrophobicContact CB-CB 4.39Å; Q1444-H1449 WeakPolarHBondContact CB-O 3.48Å; Q1444-H1449 PolarHBondContact N-O 2.79Å; Q1444-H1449 PolarHBondContact O-N 3.1Å; Q1444-H1449 PolarHBondContact OE1-ND1 2.89Å; Q1444-H1449 VanDerWaalsContact OE1-ND1 3.11Å; D1447-H1449 HydrophobicContact CB-CB 4.24Å; D1447-H1449 PolarHBondContact O-N 3.03Å |
| 1450 | V | 92.2 | Very high | 83.1 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 142.2 | 175.2 | -68.4 | 0 | 0 | 0 | 0 | 111.5 | F1381 V1403 W1407 K1408 G1409 T1410 V1443 L1452 | F1381-V1450 HydrophobicContact CB-CG1 4.43Å; F1381-V1450 HydrophobicContact CD2-CG1 4.13Å; F1381-V1450 HydrophobicContact CG-CG1 4.27Å; V1403-V1450 HydrophobicContact CG2-CG2 3.77Å; W1407-V1450 HydrophobicContact CE3-CG1 3.85Å; W1407-V1450 HydrophobicContact CZ3-CG1 3.93Å; K1408-V1450 WeakPolarHBondContact O-CG2 3.4Å; K1408-V1450 PolarHBondContact O-N 3.44Å; G1409-V1450 CarbonylContact C-O 3.51Å; G1409-V1450 WeakPolarHBondContact CA-O 3.42Å; T1410-V1450 PolarHBondContact N-O 3.35Å; V1443-V1450 HydrophobicContact CG1-CG1 4.3Å; V1443-V1450 HydrophobicContact CG2-CG1 4.3Å; V1450-L1452 HydrophobicContact CB-CD2 4.24Å; V1450-L1452 HydrophobicContact CG2-CD1 4.19Å; V1450-L1452 HydrophobicContact CG2-CD2 3.89Å; V1450-L1452 HydrophobicContact CG2-CG 4.01Å |
| 1451 | T | 90.4 | Very high | 82.3 | Confident | 44 Ų | 44 | 67.3 Ų | 67.3 | 27% | 0.27 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 134 | 169.2 | 55 | 0 | 0 | 0 | 0 | 108.5 | T1410 T1441 G1442 | T1410-T1451 WeakPolarHBondContact O-CA 3.41Å; T1441-T1451 PolarHBondContact N-O 2.82Å; T1441-T1451 WeakPolarHBondContact OG1-CB 3.29Å; T1441-T1451 PolarHBondContact OG1-O 2.89Å; T1441-T1451 PolarHBondContact OG1-OG1 2.83Å; T1441-T1451 VanDerWaalsContact OG1-OG1 3.1Å; G1442-T1451 WeakPolarHBondContact CA-OG1 3.32Å; G1442-T1451 PolarHBondContact N-O 2.93Å; G1442-T1451 PolarHBondContact N-OG1 3.44Å; G1442-T1451 PolarHBondContact O-N 3.07Å; G1442-T1451 PolarHBondContact O-OG1 3.25Å |
| 1452 | L | 92.7 | Very high | 82 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 159.9 | -165.5 | -63.7 | 179.5 | 0 | 0 | 0 | 111.4 | V1387 V1401 T1410 V1411 F1438 Y1439 V1440 V1450 | V1387-L1452 HydrophobicContact CG2-CD2 3.65Å; V1401-L1452 HydrophobicContact CG2-CD1 3.44Å; V1401-L1452 VanDerWaalsContact CG2-CD1 3.44Å; T1410-L1452 PolarHBondContact O-N 3.5Å; V1411-L1452 HydrophobicContact CG2-CB 3.78Å; F1438-L1452 HydrophobicContact CB-CB 3.94Å; F1438-L1452 HydrophobicContact CB-CD1 4.05Å; F1438-L1452 HydrophobicContact CB-CD2 4.3Å; F1438-L1452 HydrophobicContact CB-CG 4.32Å; F1438-L1452 HydrophobicContact CD2-CD1 4.22Å; F1438-L1452 HydrophobicContact CG-CB 4.34Å; F1438-L1452 HydrophobicContact CG-CD1 4.22Å; Y1439-L1452 CarbonylContact O-C 3.59Å; Y1439-L1452 WeakPolarHBondContact O-CA 3.26Å; V1440-L1452 HydrophobicContact CB-CD2 4.36Å; V1440-L1452 HydrophobicContact CG2-CD2 3.8Å; V1450-L1452 HydrophobicContact CB-CD2 4.24Å; V1450-L1452 HydrophobicContact CG2-CD1 4.19Å; V1450-L1452 HydrophobicContact CG2-CD2 3.89Å; V1450-L1452 HydrophobicContact CG2-CG 4.01Å |
| 1453 | S | 90.4 | Very high | 81.6 | Confident | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.014 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 153.4 | 176 | 58.7 | 0 | 0 | 0 | 0 | 111.1 | F1438 Y1439 T1441 Y1455 | F1438-S1453 CarbonylContact C-O 3.56Å; F1438-S1453 WeakPolarHBondContact CA-O 3.48Å; Y1439-S1453 PolarHBondContact N-O 3.14Å; Y1439-S1453 PolarHBondContact O-N 2.82Å; Y1439-S1453 PolarHBondContact O-OG 2.89Å; T1441-S1453 VanDerWaalsContact CG2-OG 3.27Å; T1441-S1453 WeakPolarHBondContact CG2-OG 3.34Å; S1453-Y1455 VanDerWaalsContact C-N 3.35Å; S1453-Y1455 PolarHBondContact OG-O 2.76Å; S1453-Y1455 VanDerWaalsContact OG-O 3.1Å |
| 1454 | T | 87.9 | Confident | 81.3 | Confident | 38 Ų | 38 | 73.6 Ų | 73.6 | 23% | 0.233 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -81.1 | -14.8 | 178.6 | 53.5 | 0 | 0 | 0 | 0 | 113.3 | H1415 L1416 F1430 F1438 | H1415-T1454 PolarHBondContact O-N 2.96Å; H1415-T1454 PolarHBondContact O-OG1 2.81Å; L1416-T1454 WeakPolarHBondContact CA-OG1 3.44Å; L1416-T1454 HydrophobicContact CD2-CG2 4.1Å; L1416-T1454 PolarHBondContact O-OG1 3.21Å; F1430-T1454 HydrophobicContact CE2-CG2 4.26Å; F1430-T1454 HydrophobicContact CZ-CG2 4.03Å; F1438-T1454 HydrophobicContact CD1-CG2 4.1Å; F1438-T1454 HydrophobicContact CE1-CG2 3.89Å |
| 1455 | Y | 84.4 | Confident | 80.8 | Confident | 34 Ų | 34 | 71.6 Ų | 71.6 | 13% | 0.133 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -135.1 | 150.2 | -178.4 | 59.7 | -90.5 | 0 | 0 | 0 | 112.1 | G1417 R1418 S1453 C1458 | G1417-Y1455 VanDerWaalsContact C-CE1 3.45Å; G1417-Y1455 WeakPolarHBondContact O-CE1 3.42Å; R1418-Y1455 HydrophobicContact CG-CD1 4Å; R1418-Y1455 HydrophobicContact CG-CD2 3.92Å; R1418-Y1455 HydrophobicContact CG-CE1 4.17Å; R1418-Y1455 HydrophobicContact CG-CE2 4.07Å; R1418-Y1455 HydrophobicContact CG-CG 3.88Å; S1453-Y1455 VanDerWaalsContact C-N 3.35Å; S1453-Y1455 PolarHBondContact OG-O 2.76Å; S1453-Y1455 VanDerWaalsContact OG-O 3.1Å; Y1455-C1458 HydrophobicContact CD2-CB 4.47Å; Y1455-C1458 HydrophobicContact CE2-CB 3.87Å |
| 1456 | E | 79 | Confident | 80.9 | Confident | 101 Ų | 101 | 71.6 Ų | 71.6 | 47% | 0.472 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 151.6 | 179.6 | -161.9 | 172.4 | -172.6 | 0 | 0 | 112.3 | Y1439 | Y1439-E1456 HydrophobicContact CD1-CB 4.17Å; Y1439-E1456 HydrophobicContact CD1-CG 4.17Å; Y1439-E1456 HydrophobicContact CD2-CB 4.5Å; Y1439-E1456 HydrophobicContact CE1-CB 3.93Å; Y1439-E1456 HydrophobicContact CE1-CG 4.07Å; Y1439-E1456 HydrophobicContact CE2-CB 4.31Å; Y1439-E1456 HydrophobicContact CG-CB 4.42Å |
| 1457 | N | 69.8 | Low | 81.2 | Confident | 144 Ų | 144 | 65.4 Ų | 65.4 | 77% | 0.77 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 36.1 | 178.7 | -64.6 | -29.7 | 0 | 0 | 0 | 116.6 | T1459 | N1457-T1459 PolarHBondContact O-N 2.92Å; N1457-T1459 VanDerWaalsContact O-N 3.16Å |
| 1458 | C | 66 | Low | 81.5 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 17% | 0.169 | 34% | 0.339 | C | S | . | . | trans | -60.4 | 113.6 | 173.8 | -174.5 | 0 | 0 | 0 | 0 | 112.9 | H1415 T1441 Y1455 | H1415-C1458 PolarHBondContact CD2-SG 2.99Å; H1415-C1458 PolarHBondContact NE2-SG 3.43Å; T1441-C1458 HydrophobicContact CG2-CB 4.28Å; Y1455-C1458 HydrophobicContact CD2-CB 4.47Å; Y1455-C1458 HydrophobicContact CE2-CB 3.87Å | ||
| 1459 | T | 65.3 | Low | 81.6 | Confident | 108 Ų | 108 | 56.8 Ų | 56.8 | 66% | 0.663 | 32% | 0.321 | S | S | * | . | trans | -94.1 | 122.8 | 177 | 51.5 | 0 | 0 | 0 | 0 | 111.9 | N1457 I1461 | N1457-T1459 PolarHBondContact O-N 2.92Å; N1457-T1459 VanDerWaalsContact O-N 3.16Å; T1459-I1461 VanDerWaalsContact C-N 3.29Å; T1459-I1461 PolarHBondContact O-N 2.87Å | ||
| 1460 | S | 66.6 | Low | 81.4 | Confident | 68 Ų | 68 | 55 Ų | 55 | 48% | 0.476 | 31% | 0.313 | S | S | . | . | trans | -88.2 | 27.5 | -179.7 | -45.9 | 0 | 0 | 0 | 0 | 114.3 | A1487 | S1460-A1487 WeakPolarHBondContact O-CB 3.29Š| ||
| 1461 | I | 73.2 | Confident | 81.4 | Confident | 125 Ų | 125 | 55.8 Ų | 55.8 | 64% | 0.641 | 32% | 0.317 | S | S | * | . | trans | -127.3 | 128.1 | -173.9 | -55.1 | 174.4 | 0 | 0 | 0 | 109.6 | T1459 | T1459-I1461 VanDerWaalsContact C-N 3.29Å; T1459-I1461 PolarHBondContact O-N 2.87Å | ||
| 1462 | V | 80.1 | Confident | 81.4 | Confident | 14 Ų | 14 | 53.7 Ų | 53.7 | 9% | 0.085 | 30% | 0.304 | C | S | . | . | trans | -83.3 | 128.6 | 174.8 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | L1485 C1489 P1522 W1531 | V1462-L1485 HydrophobicContact CG2-CB 4.45Å; V1462-C1489 HydrophobicContact CG2-CB 4.12Å; V1462-P1522 HydrophobicContact CG1-CB 4.03Å; V1462-P1522 HydrophobicContact CG1-CG 3.57Å; V1462-W1531 HydrophobicContact CB-CZ2 4.02Å; V1462-W1531 HydrophobicContact CG1-CD2 4.05Å; V1462-W1531 HydrophobicContact CG1-CE3 4.39Å; V1462-W1531 HydrophobicContact CG1-CH2 4.36Å; V1462-W1531 HydrophobicContact CG1-CZ2 4.03Å | ||
| 1463 | Q | 79.5 | Confident | 81.2 | Confident | 109 Ų | 109 | 56 Ų | 56 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | trans | -119.1 | 147.7 | -178.8 | -64.7 | -174.5 | -6.6 | 0 | 0 | 111.2 | I1466 | Q1463-I1466 HydrophobicContact CB-CD1 4.02Å; Q1463-I1466 HydrophobicContact CB-CG1 4.32Å | ||
| 1464 | I | 82.8 | Confident | 81.1 | Confident | 110 Ų | 110 | 57.2 Ų | 57.2 | 56% | 0.564 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 133.2 | 178 | -64.6 | 170.9 | 0 | 0 | 0 | 109.2 | I1466 P1522 W1531 | I1464-I1466 VanDerWaalsContact C-N 3.29Å; I1464-I1466 PolarHBondContact O-N 3.33Å; I1464-P1522 WeakPolarHBondContact CA-O 3.23Å; I1464-W1531 HydrophobicContact CD1-CZ3 4.45Å; I1464-W1531 HydrophobicContact CG1-CH2 4.31Å; I1464-W1531 HydrophobicContact CG1-CZ3 3.63Å |
| 1465 | G | 78 | Confident | 81 | Confident | 50 Ų | 50 | 57.5 Ų | 57.5 | 52% | 0.515 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -2.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | C1521 P1522 | G1465-C1521 VanDerWaalsContact C-SG 3.52Å; G1465-P1522 PolarHBondContact N-O 3.35Å |
| 1466 | I | 81.7 | Confident | 81 | Confident | 88 Ų | 88 | 61.9 Ų | 61.9 | 45% | 0.451 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -102.3 | 122.2 | 176.6 | -56.1 | -174.1 | 0 | 0 | 0 | 108.9 | Q1463 I1464 T1468 P1522 | Q1463-I1466 HydrophobicContact CB-CD1 4.02Å; Q1463-I1466 HydrophobicContact CB-CG1 4.32Å; I1464-I1466 VanDerWaalsContact C-N 3.29Å; I1464-I1466 PolarHBondContact O-N 3.33Å; I1466-T1468 PolarHBondContact O-N 3.14Å; I1466-P1522 WeakPolarHBondContact O-CD 3.3Å |
| 1467 | P | 84.5 | Confident | 80.9 | Confident | 68 Ų | 68 | 61.8 Ų | 61.8 | 44% | 0.442 | 35% | 0.354 | S | S | . | . | trans | -55.3 | 136.3 | 176.1 | -24.9 | 33.8 | 0 | 0 | 0 | 111.7 | V1520 C1540 | P1467-V1520 WeakPolarHBondContact CA-O 3.26Å; P1467-C1540 WeakPolarHBondContact CG-O 3.33Å | ||
| 1468 | T | 87.4 | Confident | 81.1 | Confident | 22 Ų | 22 | 58.4 Ų | 58.4 | 14% | 0.135 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 156.1 | 178.5 | -162.6 | 0 | 0 | 0 | 0 | 110.2 | I1466 L1485 I1486 V1520 P1522 | I1466-T1468 PolarHBondContact O-N 3.14Å; T1468-L1485 HydrophobicContact CG2-CD2 3.93Å; T1468-I1486 WeakPolarHBondContact OG1-CD1 3.39Å; T1468-V1520 HydrophobicContact CG2-CG2 4.22Å; T1468-V1520 PolarHBondContact N-O 3.19Å; T1468-V1520 PolarHBondContact O-N 3.21Å; T1468-V1520 VanDerWaalsContact O-O 3.09Å; T1468-P1522 HydrophobicContact CG2-CG 3.91Å |
| 1469 | V | 88.8 | Confident | 81.8 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.024 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 135.3 | -179.5 | -166.2 | 0 | 0 | 0 | 0 | 110.5 | R1418 A1420 I1423 F1517 | R1418-V1469 WeakPolarHBondContact O-CG2 3.47Å; A1420-V1469 HydrophobicContact CB-CG1 4.06Å; I1423-V1469 HydrophobicContact CD1-CB 4.11Å; I1423-V1469 HydrophobicContact CD1-CG1 3.68Å; I1423-V1469 HydrophobicContact CD1-CG2 4.27Å; V1469-F1517 HydrophobicContact CG1-CB 4.18Å; V1469-F1517 HydrophobicContact CG1-CD1 3.95Å |
| 1470 | A | 89.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 141.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1483 N1484 L1485 F1517 V1518 V1520 | A1470-F1483 HydrophobicContact CB-CB 3.97Å; A1470-F1483 HydrophobicContact CB-CD1 3.92Å; A1470-F1483 HydrophobicContact CB-CG 4.17Å; A1470-N1484 WeakPolarHBondContact CA-O 3.31Å; A1470-L1485 HydrophobicContact CB-CD2 3.7Å; A1470-F1517 CarbonylContact O-C 3.14Å; A1470-F1517 VanDerWaalsContact O-CA 3.29Å; A1470-F1517 WeakPolarHBondContact O-CA 3.18Å; A1470-V1518 HydrophobicContact CB-CG2 4.47Å; A1470-V1518 PolarHBondContact N-O 2.77Å; A1470-V1518 PolarHBondContact O-N 2.76Å; A1470-V1520 HydrophobicContact CB-CB 4.28Å; A1470-V1520 HydrophobicContact CB-CG1 3.81Å; A1470-V1520 HydrophobicContact CB-CG2 3.47Å; A1470-V1520 VanDerWaalsContact CB-CG2 3.47Å |
| 1471 | E | 91.7 | Very high | 83.9 | Confident | 18 Ų | 18 | 51.9 Ų | 51.9 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 127.4 | 172.2 | 175.7 | -167.9 | -136 | 0 | 0 | 109.7 | K1413 F1414 V1473 F1483 N1484 F1517 | K1413-E1471 WeakPolarHBondContact CE-OE2 3.47Å; K1413-E1471 IonicContact NZ-OE1 3.47Å; K1413-E1471 PolarHBondContact NZ-OE1 3.41Å; K1413-E1471 IonicContact NZ-OE2 2.89Å; K1413-E1471 PolarHBondContact NZ-OE2 3.29Å; F1414-E1471 HydrophobicContact CE1-CB 4.29Å; F1414-E1471 HydrophobicContact CZ-CB 3.96Å; E1471-V1473 PolarHBondContact O-N 3.06Å; E1471-F1483 CarbonylContact O-C 3.58Å; E1471-F1483 WeakPolarHBondContact O-CA 3.43Å; E1471-N1484 HydrophobicContact CB-CB 4.29Å; E1471-N1484 PolarHBondContact N-O 2.91Å; E1471-N1484 PolarHBondContact O-N 2.85Å; E1471-N1484 PolarHBondContact OE2-ND2 2.82Å; E1471-F1517 HydrophobicContact CB-CD1 4.08Å; E1471-F1517 HydrophobicContact CB-CE1 3.84Å; E1471-F1517 HydrophobicContact CB-CZ 4.33Å; E1471-F1517 HydrophobicContact CG-CE1 4.4Å; E1471-F1517 HydrophobicContact CG-CZ 4.4Å |
| 1472 | V | 90.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 118.7 | 178.1 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | V1475 F1483 L1512 K1513 N1515 K1516 V1518 | V1472-V1475 HydrophobicContact CG1-CG2 3.8Å; V1472-F1483 HydrophobicContact CB-CE1 4.48Å; V1472-F1483 HydrophobicContact CG2-CD1 4.1Å; V1472-F1483 HydrophobicContact CG2-CE1 3.71Å; V1472-L1512 HydrophobicContact CG2-CB 4.44Å; V1472-L1512 HydrophobicContact CG2-CD2 3.95Å; V1472-K1513 WeakPolarHBondContact CB-O 3.27Å; V1472-N1515 PolarHBondContact O-N 2.9Å; V1472-K1516 HydrophobicContact CG2-CB 4.46Å; V1472-K1516 WeakPolarHBondContact CG2-O 3.44Å; V1472-K1516 PolarHBondContact N-O 3.46Å; V1472-V1518 HydrophobicContact CG2-CG2 4.14Å |
| 1473 | V | 89.3 | Confident | 85.5 | Confident | 48 Ų | 48 | 51.2 Ų | 51.2 | 29% | 0.291 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -45.6 | 178.9 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | E1471 R1482 N1484 | E1471-V1473 PolarHBondContact O-N 3.06Å; V1473-R1482 HydrophobicContact CB-CB 4.43Å; V1473-R1482 WeakPolarHBondContact CB-O 3.34Å; V1473-R1482 PolarHBondContact N-O 2.97Å; V1473-N1484 HydrophobicContact CG2-CB 4.13Å; V1473-N1484 WeakPolarHBondContact CG2-ND2 3.39Å; V1473-N1484 WeakPolarHBondContact CG2-OD1 3.42Å |
| 1474 | S | 87.5 | Confident | 86 | Confident | 27 Ų | 27 | 49 Ų | 49 | 19% | 0.189 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 143.1 | -179.9 | 66.4 | 0 | 0 | 0 | 0 | 110.4 | R1482 | S1474-R1482 PolarHBondContact N-O 3.24Å; S1474-R1482 PolarHBondContact O-N 3.07Å; S1474-R1482 PolarHBondContact OG-NE 3.27Å; S1474-R1482 PolarHBondContact OG-NH2 3.17Å |
| 1475 | V | 86.3 | Confident | 86.3 | Confident | 44 Ų | 44 | 43.9 Ų | 43.9 | 27% | 0.267 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 127.2 | 173.9 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | V1472 A1481 L1509 L1512 | V1472-V1475 HydrophobicContact CG1-CG2 3.8Å; V1475-A1481 HydrophobicContact CG2-CB 4.1Å; V1475-L1509 HydrophobicContact CG1-CD2 3.46Å; V1475-L1509 VanDerWaalsContact CG1-CD2 3.46Å; V1475-L1512 HydrophobicContact CG2-CB 3.83Å; V1475-L1512 VanDerWaalsContact CG2-O 3.23Å; V1475-L1512 WeakPolarHBondContact CG2-O 3.33Å |
| 1476 | K | 84.8 | Confident | 86.6 | Confident | 127 Ų | 127 | 42.4 Ų | 42.4 | 55% | 0.552 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 105.5 | 164.7 | -71.9 | -171.7 | 175.7 | -168.9 | 0 | 107.1 | T1478 A1479 S1480 | K1476-T1478 PolarHBondContact O-N 3.34Å; K1476-T1478 VanDerWaalsContact O-N 3.1Å; K1476-A1479 HydrophobicContact CB-CB 4.29Å; K1476-A1479 PolarHBondContact O-N 3.12Å; K1476-S1480 PolarHBondContact N-O 3.3Å; K1476-S1480 PolarHBondContact O-N 2.99Å |
| 1477 | T | 75.9 | Confident | 86.3 | Confident | 99 Ų | 99 | 40.5 Ų | 40.5 | 61% | 0.607 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | -31.3 | -175.7 | 47.4 | 0 | 0 | 0 | 0 | 113.2 | L1509 | T1477-L1509 WeakPolarHBondContact O-CD1 3.49Š|
| 1478 | T | 74.1 | Confident | 86.1 | Confident | 73 Ų | 73 | 40.3 Ų | 40.3 | 45% | 0.448 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -3.2 | -179.1 | 54.7 | 0 | 0 | 0 | 0 | 115 | K1476 P1607 G1608 | K1476-T1478 PolarHBondContact O-N 3.34Å; K1476-T1478 VanDerWaalsContact O-N 3.1Å; T1478-P1607 WeakPolarHBondContact CB-O 3.36Å; T1478-P1607 WeakPolarHBondContact CG2-O 3.46Å; T1478-G1608 WeakPolarHBondContact O-CA 3.29Å |
| 1479 | A | 80.1 | Confident | 86 | Confident | 43 Ų | 43 | 39.9 Ų | 39.9 | 36% | 0.355 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -148.1 | -54.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | K1476 | K1476-A1479 HydrophobicContact CB-CB 4.29Å; K1476-A1479 PolarHBondContact O-N 3.12Å |
| 1480 | S | 87.3 | Confident | 86 | Confident | 20 Ų | 20 | 41.7 Ų | 41.7 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.6 | 157.8 | -169.4 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | K1476 A1493 | K1476-S1480 PolarHBondContact N-O 3.3Å; K1476-S1480 PolarHBondContact O-N 2.99Å; S1480-A1493 CarbonylContact C-O 3.23Å; S1480-A1493 WeakPolarHBondContact CA-O 3.43Å; S1480-A1493 WeakPolarHBondContact CB-O 3.35Å |
| 1481 | A | 89.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 138.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V1475 F1483 V1492 A1493 M1498 L1512 | V1475-A1481 HydrophobicContact CG2-CB 4.1Å; A1481-F1483 HydrophobicContact CB-CE2 3.62Å; A1481-F1483 HydrophobicContact CB-CZ 3.57Å; A1481-F1483 WeakPolarHBondContact O-CE2 3.17Å; A1481-V1492 CarbonylContact O-C 3.58Å; A1481-V1492 WeakPolarHBondContact O-CA 3.36Å; A1481-A1493 PolarHBondContact N-O 2.78Å; A1481-A1493 PolarHBondContact O-N 3.08Å; A1481-M1498 HydrophobicContact CB-CE 3.74Å; A1481-L1512 HydrophobicContact CB-CD1 4.12Å |
| 1482 | R | 92.4 | Very high | 86.1 | Confident | 124 Ų | 124 | 42.6 Ų | 42.6 | 47% | 0.468 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 142.1 | 177.5 | -63.7 | -171.5 | -68.8 | 178.9 | -2.6 | 110.4 | V1473 S1474 G1491 V1492 | V1473-R1482 HydrophobicContact CB-CB 4.43Å; V1473-R1482 WeakPolarHBondContact CB-O 3.34Å; V1473-R1482 PolarHBondContact N-O 2.97Å; S1474-R1482 PolarHBondContact N-O 3.24Å; S1474-R1482 PolarHBondContact O-N 3.07Å; S1474-R1482 PolarHBondContact OG-NE 3.27Å; S1474-R1482 PolarHBondContact OG-NH2 3.17Å; R1482-G1491 CarbonylContact C-O 3.47Å; R1482-G1491 WeakPolarHBondContact CA-O 3.24Å; R1482-V1492 HydrophobicContact CG-CG2 4.2Å |
| 1483 | F | 93.5 | Very high | 86.2 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 147.3 | -173.2 | -57.7 | -87.8 | 0 | 0 | 0 | 112.1 | A1470 E1471 V1472 A1481 S1490 G1491 A1493 L1512 V1518 V1520 V1533 L1535 | A1470-F1483 HydrophobicContact CB-CB 3.97Å; A1470-F1483 HydrophobicContact CB-CD1 3.92Å; A1470-F1483 HydrophobicContact CB-CG 4.17Å; E1471-F1483 CarbonylContact O-C 3.58Å; E1471-F1483 WeakPolarHBondContact O-CA 3.43Å; V1472-F1483 HydrophobicContact CB-CE1 4.48Å; V1472-F1483 HydrophobicContact CG2-CD1 4.1Å; V1472-F1483 HydrophobicContact CG2-CE1 3.71Å; A1481-F1483 HydrophobicContact CB-CE2 3.62Å; A1481-F1483 HydrophobicContact CB-CZ 3.57Å; A1481-F1483 WeakPolarHBondContact O-CE2 3.17Å; F1483-S1490 CarbonylContact O-C 3.58Å; F1483-S1490 VanDerWaalsContact O-CA 3.31Å; F1483-S1490 WeakPolarHBondContact O-CA 3.45Å; F1483-G1491 PolarHBondContact N-O 2.87Å; F1483-G1491 PolarHBondContact O-N 2.79Å; F1483-A1493 HydrophobicContact CE2-CB 3.77Å; F1483-L1512 HydrophobicContact CE1-CD2 4.32Å; F1483-L1512 HydrophobicContact CZ-CD1 4.4Å; F1483-L1512 HydrophobicContact CZ-CD2 4.5Å; F1483-V1518 HydrophobicContact CD1-CG2 4.08Å; F1483-V1518 HydrophobicContact CE1-CG2 3.65Å; F1483-V1520 HydrophobicContact CE1-CG1 4.48Å; F1483-V1533 HydrophobicContact CD2-CG2 3.75Å; F1483-V1533 HydrophobicContact CE2-CG2 4.1Å; F1483-L1535 HydrophobicContact CE2-CD1 4.48Å; F1483-L1535 HydrophobicContact CZ-CD1 3.92Å |
| 1484 | N | 91.8 | Very high | 86.3 | Confident | 63 Ų | 63 | 43.6 Ų | 43.6 | 34% | 0.337 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 135 | 160.6 | -69.1 | -31.9 | 0 | 0 | 0 | 108.4 | F1414 A1470 E1471 V1473 | F1414-N1484 HydrophobicContact CZ-CB 4.08Å; F1414-N1484 WeakPolarHBondContact CZ-O 3.15Å; A1470-N1484 WeakPolarHBondContact CA-O 3.31Å; E1471-N1484 HydrophobicContact CB-CB 4.29Å; E1471-N1484 PolarHBondContact N-O 2.91Å; E1471-N1484 PolarHBondContact O-N 2.85Å; E1471-N1484 PolarHBondContact OE2-ND2 2.82Å; V1473-N1484 HydrophobicContact CG2-CB 4.13Å; V1473-N1484 WeakPolarHBondContact CG2-ND2 3.39Å; V1473-N1484 WeakPolarHBondContact CG2-OD1 3.42Å |
| 1485 | L | 88.9 | Confident | 86.3 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 168.8 | 178 | -58.9 | 169.6 | 0 | 0 | 0 | 109.5 | V1462 T1468 A1470 C1489 V1520 W1531 V1533 | V1462-L1485 HydrophobicContact CG2-CB 4.45Å; T1468-L1485 HydrophobicContact CG2-CD2 3.93Å; A1470-L1485 HydrophobicContact CB-CD2 3.7Å; L1485-C1489 HydrophobicContact CB-CB 3.76Å; L1485-C1489 HydrophobicContact CD1-CB 4.25Å; L1485-C1489 PolarHBondContact N-O 3.22Å; L1485-V1520 HydrophobicContact CD2-CG2 3.78Å; L1485-W1531 HydrophobicContact CD1-CB 3.96Å; L1485-W1531 HydrophobicContact CD1-CG 4.15Å; L1485-V1533 HydrophobicContact CD1-CG1 4.06Å; L1485-V1533 HydrophobicContact CD2-CG1 4.41Å |
| 1486 | I | 83.6 | Confident | 86.5 | Confident | 19 Ų | 19 | 40.9 Ų | 40.9 | 10% | 0.097 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -52.3 | 148.7 | 176.2 | -48.9 | -175.5 | 0 | 0 | 0 | 111.1 | F1414 T1468 G1488 C1489 | F1414-I1486 HydrophobicContact CB-CG1 4.03Å; F1414-I1486 HydrophobicContact CD1-CG1 4.1Å; F1414-I1486 HydrophobicContact CG-CG1 4.16Å; T1468-I1486 WeakPolarHBondContact OG1-CD1 3.39Å; I1486-G1488 VanDerWaalsContact C-N 3.3Å; I1486-G1488 PolarHBondContact O-N 2.79Å; I1486-C1489 WeakPolarHBondContact O-CB 3.47Å; I1486-C1489 PolarHBondContact O-N 3.05Å |
| 1487 | A | 74.8 | Confident | 86.7 | Confident | 49 Ų | 49 | 35.1 Ų | 35.1 | 41% | 0.405 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | 63.2 | 24.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | S1460 C1489 K1529 | S1460-A1487 WeakPolarHBondContact O-CB 3.29Å; A1487-C1489 VanDerWaalsContact C-N 3.28Å; A1487-K1529 PolarHBondContact O-NZ 3.26Å |
| 1488 | G | 80.6 | Confident | 87.4 | Confident | 63 Ų | 63 | 30.5 Ų | 30.5 | 65% | 0.649 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | 73 | 23.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1486 | I1486-G1488 VanDerWaalsContact C-N 3.3Å; I1486-G1488 PolarHBondContact O-N 2.79Å |
| 1489 | C | 86.2 | Confident | 88.1 | Confident | 13 Ų | 13 | 27.7 Ų | 27.7 | 9% | 0.088 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 156.2 | 169.7 | -74.6 | 0 | 0 | 0 | 0 | 110.8 | V1462 L1485 I1486 A1487 K1529 | V1462-C1489 HydrophobicContact CG2-CB 4.12Å; L1485-C1489 HydrophobicContact CB-CB 3.76Å; L1485-C1489 HydrophobicContact CD1-CB 4.25Å; L1485-C1489 PolarHBondContact N-O 3.22Å; I1486-C1489 WeakPolarHBondContact O-CB 3.47Å; I1486-C1489 PolarHBondContact O-N 3.05Å; A1487-C1489 VanDerWaalsContact C-N 3.28Å; C1489-K1529 CarbonylContact C-O 3.41Å; C1489-K1529 VanDerWaalsContact CA-O 3.26Å; C1489-K1529 WeakPolarHBondContact CA-O 3.48Å; C1489-K1529 HydrophobicContact CB-CB 4.42Å |
| 1490 | S | 89.1 | Confident | 88.4 | Confident | 43 Ų | 43 | 26.8 Ų | 26.8 | 30% | 0.301 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 136.2 | 175.7 | 53.1 | 0 | 0 | 0 | 0 | 109.9 | F1483 K1529 K1530 W1531 | F1483-S1490 CarbonylContact O-C 3.58Å; F1483-S1490 VanDerWaalsContact O-CA 3.31Å; F1483-S1490 WeakPolarHBondContact O-CA 3.45Å; S1490-K1529 PolarHBondContact N-O 3.24Å; S1490-K1530 CarbonylContact O-C 3.23Å; S1490-K1530 WeakPolarHBondContact O-CA 3.41Å; S1490-W1531 PolarHBondContact O-N 3.13Å |
| 1491 | G | 90.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 149.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1482 F1483 W1531 | R1482-G1491 CarbonylContact C-O 3.47Å; R1482-G1491 WeakPolarHBondContact CA-O 3.24Å; F1483-G1491 PolarHBondContact N-O 2.87Å; F1483-G1491 PolarHBondContact O-N 2.79Å; G1491-W1531 CarbonylContact C-O 3.38Å; G1491-W1531 VanDerWaalsContact CA-O 3.26Å; G1491-W1531 WeakPolarHBondContact CA-O 3.45Å |
| 1492 | V | 92.3 | Very high | 88.6 | Confident | 35 Ų | 35 | 27.2 Ų | 27.2 | 21% | 0.212 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 126.9 | 169.3 | -174.3 | 0 | 0 | 0 | 0 | 109.2 | A1481 R1482 Y1494 W1531 V1532 V1533 | A1481-V1492 CarbonylContact O-C 3.58Å; A1481-V1492 WeakPolarHBondContact O-CA 3.36Å; R1482-V1492 HydrophobicContact CG-CG2 4.2Å; V1492-Y1494 HydrophobicContact CG1-CE1 4.25Å; V1492-Y1494 HydrophobicContact CG1-CE2 4.5Å; V1492-W1531 PolarHBondContact N-O 2.82Å; V1492-V1532 VanDerWaalsContact O-CA 3.3Å; V1492-V1532 WeakPolarHBondContact O-CA 3.46Å; V1492-V1532 WeakPolarHBondContact O-CG1 3.35Å; V1492-V1533 PolarHBondContact O-N 2.82Å |
| 1493 | A | 91.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | S1480 A1481 F1483 M1498 V1533 L1535 | S1480-A1493 CarbonylContact C-O 3.23Å; S1480-A1493 WeakPolarHBondContact CA-O 3.43Å; S1480-A1493 WeakPolarHBondContact CB-O 3.35Å; A1481-A1493 PolarHBondContact N-O 2.78Å; A1481-A1493 PolarHBondContact O-N 3.08Å; F1483-A1493 HydrophobicContact CE2-CB 3.77Å; A1493-M1498 HydrophobicContact CB-CE 3.9Å; A1493-M1498 HydrophobicContact CB-SD 4.28Å; A1493-M1498 VanDerWaalsContact O-CE 3.25Å; A1493-M1498 WeakPolarHBondContact O-CE 3.24Å; A1493-V1533 VanDerWaalsContact CA-O 3.31Å; A1493-V1533 WeakPolarHBondContact CA-O 2.82Å; A1493-V1533 HydrophobicContact CB-CG2 4.17Å; A1493-V1533 VanDerWaalsContact CB-O 3.28Å; A1493-V1533 WeakPolarHBondContact CB-O 3.37Å; A1493-L1535 HydrophobicContact CB-CD1 3.99Å |
| 1494 | Y | 91.4 | Very high | 88.1 | Confident | 70 Ų | 70 | 32 Ų | 32 | 28% | 0.275 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 166.8 | 173.4 | -62.5 | -77.1 | 0 | 0 | 0 | 110.4 | V1492 T1496 D1497 K1526 V1532 | V1492-Y1494 HydrophobicContact CG1-CE1 4.25Å; V1492-Y1494 HydrophobicContact CG1-CE2 4.5Å; Y1494-T1496 PolarHBondContact O-N 3.39Å; Y1494-T1496 VanDerWaalsContact O-N 3.16Å; Y1494-D1497 PolarHBondContact N-OD2 2.69Å; Y1494-D1497 WeakPolarHBondContact O-CA 3.47Å; Y1494-D1497 PolarHBondContact O-N 2.89Å; Y1494-K1526 PolarHBondContact OH-NZ 2.72Å; Y1494-V1532 HydrophobicContact CD2-CG1 4.16Å; Y1494-V1532 HydrophobicContact CE2-CG1 4.16Å; Y1494-V1532 HydrophobicContact CE2-CG2 4.29Å |
| 1495 | L | 88.5 | Confident | 87.9 | Confident | 10 Ų | 10 | 29.3 Ų | 29.3 | 5% | 0.052 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -54.1 | -36.3 | -178.7 | -62.5 | -180 | 0 | 0 | 0 | 113 | D1497 M1498 V1505 L1509 F1567 | L1495-D1497 PolarHBondContact O-N 3.44Å; L1495-M1498 PolarHBondContact O-N 2.91Å; L1495-V1505 HydrophobicContact CD2-CG1 3.92Å; L1495-L1509 HydrophobicContact CD2-CD1 3.95Å; L1495-F1567 HydrophobicContact CB-CB 4.39Å; L1495-F1567 HydrophobicContact CB-CD1 4.41Å; L1495-F1567 HydrophobicContact CB-CD2 3.59Å; L1495-F1567 HydrophobicContact CB-CE2 3.89Å; L1495-F1567 HydrophobicContact CB-CG 3.87Å; L1495-F1567 HydrophobicContact CB-CZ 4.41Å; L1495-F1567 HydrophobicContact CD1-CB 3.97Å; L1495-F1567 HydrophobicContact CD1-CD1 3.95Å; L1495-F1567 HydrophobicContact CD1-CD2 4.46Å; L1495-F1567 HydrophobicContact CD1-CG 3.87Å |
| 1496 | T | 89.1 | Confident | 87.7 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -66.9 | -15.8 | 176.7 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | Y1494 Y1502 F1567 | Y1494-T1496 PolarHBondContact O-N 3.39Å; Y1494-T1496 VanDerWaalsContact O-N 3.16Å; T1496-Y1502 WeakPolarHBondContact CB-OH 3.35Å; T1496-Y1502 HydrophobicContact CG2-CE2 4.47Å; T1496-Y1502 PolarHBondContact O-OH 2.98Å; T1496-F1567 HydrophobicContact CG2-CD2 4.11Å |
| 1497 | D | 90.1 | Very high | 87.7 | Confident | 6 Ų | 6 | 35.4 Ų | 35.4 | 3% | 0.032 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -107.4 | 6.8 | -177.1 | -54.7 | -60.5 | 0 | 0 | 0 | 112.9 | Y1494 L1495 S1534 L1535 R1536 Y1582 | Y1494-D1497 PolarHBondContact N-OD2 2.69Å; Y1494-D1497 WeakPolarHBondContact O-CA 3.47Å; Y1494-D1497 PolarHBondContact O-N 2.89Å; L1495-D1497 PolarHBondContact O-N 3.44Å; D1497-S1534 PolarHBondContact O-OG 3.08Å; D1497-L1535 PolarHBondContact O-N 2.8Å; D1497-R1536 PolarHBondContact O-N 2.88Å; D1497-Y1582 WeakPolarHBondContact OD2-CB 3.35Å |
| 1498 | M | 89.4 | Confident | 88.2 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -81.7 | -39.7 | -174.9 | -66.6 | -66.5 | 169.9 | 0 | 0 | 113.3 | A1481 A1493 L1495 V1505 V1508 L1509 L1512 L1535 | A1481-M1498 HydrophobicContact CB-CE 3.74Å; A1493-M1498 HydrophobicContact CB-CE 3.9Å; A1493-M1498 HydrophobicContact CB-SD 4.28Å; A1493-M1498 VanDerWaalsContact O-CE 3.25Å; A1493-M1498 WeakPolarHBondContact O-CE 3.24Å; L1495-M1498 PolarHBondContact O-N 2.91Å; M1498-V1505 HydrophobicContact CB-CG1 4.34Å; M1498-V1505 HydrophobicContact CB-CG2 4.15Å; M1498-V1505 HydrophobicContact CG-CG1 4.29Å; M1498-V1508 HydrophobicContact CB-CG1 4.38Å; M1498-L1509 HydrophobicContact CE-CD2 4.08Å; M1498-L1509 HydrophobicContact SD-CD2 4.26Å; M1498-L1512 HydrophobicContact SD-CD1 4.07Å; M1498-L1535 WeakPolarHBondContact O-CB 3.34Å; M1498-L1535 HydrophobicContact SD-CD1 3.48Å; M1498-L1535 WeakPolarHBondContact SD-CD1 3.42Å |
| 1499 | T | 88.9 | Confident | 88.4 | Confident | 14 Ų | 14 | 32.5 Ų | 32.5 | 9% | 0.086 | 18% | 0.175 | C | C | . | . | trans | -160.6 | 163.6 | -175 | 177 | 0 | 0 | 0 | 0 | 111.3 | D1501 K1504 V1505 V1508 R1536 | T1499-D1501 VanDerWaalsContact C-N 3.3Å; T1499-D1501 WeakPolarHBondContact CG2-O 3.13Å; T1499-D1501 PolarHBondContact OG1-N 3.21Å; T1499-K1504 HydrophobicContact CG2-CB 4.25Å; T1499-V1505 HydrophobicContact CG2-CB 4.4Å; T1499-V1505 HydrophobicContact CG2-CG2 3.52Å; T1499-V1508 HydrophobicContact CG2-CG2 4.3Å; T1499-R1536 PolarHBondContact O-NE 3.4Å; T1499-R1536 VanDerWaalsContact O-NE 3.15Å; T1499-R1536 PolarHBondContact O-NH2 3.33Å | ||
| 1500 | D | 88 | Confident | 88.1 | Confident | 24 Ų | 24 | 38.8 Ų | 38.8 | 13% | 0.128 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -75.7 | -15.3 | 177.8 | -70.9 | -35.2 | 0 | 0 | 0 | 114.1 | R1536 E1537 S1538 V1547 D1549 | D1500-R1536 WeakPolarHBondContact OD1-CB 3.43Å; D1500-R1536 IonicContact OD1-CZ 3.83Å; D1500-R1536 IonicContact OD1-NE 3.04Å; D1500-R1536 PolarHBondContact OD1-NE 3.14Å; D1500-R1536 IonicContact OD1-NH2 2.64Å; D1500-E1537 PolarHBondContact OD2-N 3.25Å; D1500-S1538 VanDerWaalsContact CG-OG 3.27Å; D1500-S1538 WeakPolarHBondContact OD1-CB 3.4Å; D1500-S1538 PolarHBondContact OD1-OG 3.34Å; D1500-S1538 VanDerWaalsContact OD2-CB 3.24Å; D1500-S1538 WeakPolarHBondContact OD2-CB 3.33Å; D1500-S1538 PolarHBondContact OD2-N 3.32Å; D1500-S1538 PolarHBondContact OD2-OG 2.82Å; D1500-V1547 HydrophobicContact CB-CG1 3.94Å; D1500-D1549 PolarHBondContact O-N 2.9Å; D1500-D1549 VanDerWaalsContact O-N 3.09Å |
| 1501 | D | 89.3 | Confident | 87.7 | Confident | 22 Ų | 22 | 41.9 Ų | 41.9 | 12% | 0.118 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -123.7 | 111.4 | 172.9 | -177.4 | 1.8 | 0 | 0 | 0 | 110.4 | T1499 E1503 K1504 K1548 R1565 | T1499-D1501 VanDerWaalsContact C-N 3.3Å; T1499-D1501 WeakPolarHBondContact CG2-O 3.13Å; T1499-D1501 PolarHBondContact OG1-N 3.21Å; D1501-E1503 PolarHBondContact O-N 3.26Å; D1501-E1503 VanDerWaalsContact O-N 3.12Å; D1501-E1503 PolarHBondContact OD1-N 3.08Å; D1501-K1504 HydrophobicContact CB-CD 4.23Å; D1501-K1504 HydrophobicContact CB-CG 4.22Å; D1501-K1504 PolarHBondContact O-N 3.37Å; D1501-K1548 HydrophobicContact CB-CD 4.35Å; D1501-K1548 WeakPolarHBondContact OD1-CD 3.16Å; D1501-K1548 IonicContact OD1-NZ 3.61Å; D1501-K1548 PolarHBondContact OD1-NZ 3.37Å; D1501-K1548 IonicContact OD2-NZ 3.13Å; D1501-K1548 PolarHBondContact OD2-NZ 3.14Å; D1501-R1565 IonicContact OD1-NH2 3.52Å |
| 1502 | Y | 91.7 | Very high | 87.4 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 3% | 0.027 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -61.8 | -20.8 | -175.5 | -72.9 | -6.4 | 0 | 0 | 0 | 114.4 | T1496 K1504 V1505 D1549 R1565 F1567 L1610 | T1496-Y1502 WeakPolarHBondContact CB-OH 3.35Å; T1496-Y1502 HydrophobicContact CG2-CE2 4.47Å; T1496-Y1502 PolarHBondContact O-OH 2.98Å; Y1502-K1504 VanDerWaalsContact C-N 3.28Å; Y1502-K1504 PolarHBondContact O-N 3.09Å; Y1502-V1505 HydrophobicContact CD1-CG2 4.44Å; Y1502-V1505 WeakPolarHBondContact O-CB 3.43Å; Y1502-V1505 WeakPolarHBondContact O-CG2 3.46Å; Y1502-V1505 PolarHBondContact O-N 2.92Å; Y1502-D1549 WeakPolarHBondContact CB-OD2 3.41Å; Y1502-D1549 HydrophobicContact CD1-CB 4.05Å; Y1502-D1549 HydrophobicContact CD2-CB 4Å; Y1502-D1549 HydrophobicContact CE1-CB 4.04Å; Y1502-D1549 HydrophobicContact CE2-CB 3.99Å; Y1502-D1549 HydrophobicContact CG-CB 4.04Å; Y1502-D1549 PolarHBondContact N-OD2 3.29Å; Y1502-R1565 HydrophobicContact CD2-CB 4.26Å; Y1502-R1565 WeakPolarHBondContact CE2-O 3.28Å; Y1502-F1567 AromaticContact CD1-CE2 3.86Å; Y1502-F1567 HydrophobicContact CD1-CE2 3.86Å; Y1502-F1567 HydrophobicContact CD1-CZ 4.33Å; Y1502-F1567 HydrophobicContact CD2-CD2 4.41Å; Y1502-F1567 AromaticContact CD2-CE2 3.71Å; Y1502-F1567 HydrophobicContact CD2-CE2 3.71Å; Y1502-F1567 HydrophobicContact CD2-CZ 4.26Å; Y1502-F1567 HydrophobicContact CE1-CE2 4.27Å; Y1502-F1567 HydrophobicContact CE2-CE2 4.14Å; Y1502-F1567 AromaticContact CG-CE2 3.56Å; Y1502-F1567 HydrophobicContact CG-CE2 3.56Å; Y1502-F1567 AromaticContact CG-CZ 3.84Å; Y1502-F1567 HydrophobicContact CG-CZ 3.84Å; Y1502-L1610 HydrophobicContact CD2-CD1 3.97Å; Y1502-L1610 HydrophobicContact CG-CD1 4.35Å |
| 1503 | E | 87 | Confident | 86.8 | Confident | 113 Ų | 113 | 47.8 Ų | 47.8 | 53% | 0.528 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -67.8 | -28.5 | 172.5 | -74.2 | 159.6 | -140.2 | 0 | 0 | 112.5 | D1501 V1505 K1548 R1565 L1610 | D1501-E1503 PolarHBondContact O-N 3.26Å; D1501-E1503 VanDerWaalsContact O-N 3.12Å; D1501-E1503 PolarHBondContact OD1-N 3.08Å; E1503-V1505 VanDerWaalsContact C-N 3.31Å; E1503-V1505 PolarHBondContact O-N 3.2Å; E1503-K1548 IonicContact OE1-NZ 2.63Å; E1503-K1548 PolarHBondContact OE1-NZ 2.95Å; E1503-K1548 IonicContact OE2-NZ 3.83Å; E1503-K1548 PolarHBondContact OE2-NZ 2.95Å; E1503-R1565 IonicContact OE1-CZ 2.69Å; E1503-R1565 IonicContact OE1-NH1 3.99Å; E1503-R1565 PolarHBondContact OE1-NH1 3Å; E1503-L1610 HydrophobicContact CG-CD2 4.35Å |
| 1504 | K | 87.4 | Confident | 86.4 | Confident | 112 Ų | 112 | 52.1 Ų | 52.1 | 49% | 0.487 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -86.7 | 2.7 | -179.4 | -60.4 | -175.8 | -176.7 | 178.7 | 0 | 113.6 | T1499 D1501 Y1502 A1506 D1507 V1508 | T1499-K1504 HydrophobicContact CG2-CB 4.25Å; D1501-K1504 HydrophobicContact CB-CD 4.23Å; D1501-K1504 HydrophobicContact CB-CG 4.22Å; D1501-K1504 PolarHBondContact O-N 3.37Å; Y1502-K1504 VanDerWaalsContact C-N 3.28Å; Y1502-K1504 PolarHBondContact O-N 3.09Å; K1504-A1506 PolarHBondContact O-N 2.86Å; K1504-D1507 WeakPolarHBondContact O-CB 3.36Å; K1504-D1507 PolarHBondContact O-N 2.87Å; K1504-D1507 VanDerWaalsContact O-N 3.16Å; K1504-V1508 PolarHBondContact O-N 2.83Å; K1504-V1508 VanDerWaalsContact O-N 3.1Å |
| 1505 | V | 88.1 | Confident | 85.9 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.7 | -37.6 | -179.3 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | L1495 M1498 T1499 Y1502 E1503 D1507 V1508 L1509 F1567 | L1495-V1505 HydrophobicContact CD2-CG1 3.92Å; M1498-V1505 HydrophobicContact CB-CG1 4.34Å; M1498-V1505 HydrophobicContact CB-CG2 4.15Å; M1498-V1505 HydrophobicContact CG-CG1 4.29Å; T1499-V1505 HydrophobicContact CG2-CB 4.4Å; T1499-V1505 HydrophobicContact CG2-CG2 3.52Å; Y1502-V1505 HydrophobicContact CD1-CG2 4.44Å; Y1502-V1505 WeakPolarHBondContact O-CB 3.43Å; Y1502-V1505 WeakPolarHBondContact O-CG2 3.46Å; Y1502-V1505 PolarHBondContact O-N 2.92Å; E1503-V1505 VanDerWaalsContact C-N 3.31Å; E1503-V1505 PolarHBondContact O-N 3.2Å; V1505-D1507 VanDerWaalsContact C-N 3.34Å; V1505-D1507 PolarHBondContact O-N 3.03Å; V1505-V1508 PolarHBondContact O-N 2.96Å; V1505-L1509 HydrophobicContact CG1-CD1 3.68Å; V1505-L1509 HydrophobicContact CG1-CG 4.17Å; V1505-L1509 WeakPolarHBondContact O-CB 3.27Å; V1505-L1509 WeakPolarHBondContact O-CG 3.44Å; V1505-L1509 PolarHBondContact O-N 3.29Å; V1505-F1567 HydrophobicContact CB-CZ 4.18Å; V1505-F1567 HydrophobicContact CG1-CZ 4.4Å; V1505-F1567 HydrophobicContact CG2-CE2 4.25Å; V1505-F1567 HydrophobicContact CG2-CZ 3.74Å |
| 1506 | A | 84 | Confident | 85.7 | Confident | 56 Ų | 56 | 56.3 Ų | 56.3 | 46% | 0.463 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K1504 L1509 Q1510 | K1504-A1506 PolarHBondContact O-N 2.86Å; A1506-L1509 PolarHBondContact O-N 3.35Å; A1506-Q1510 WeakPolarHBondContact O-CG 3.17Å; A1506-Q1510 PolarHBondContact O-N 3.35Å |
| 1507 | D | 84.6 | Confident | 85.6 | Confident | 92 Ų | 92 | 56.6 Ų | 56.6 | 49% | 0.492 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 179 | -56.1 | -27.4 | 0 | 0 | 0 | 111.3 | K1504 V1505 L1509 Q1510 L1511 | K1504-D1507 WeakPolarHBondContact O-CB 3.36Å; K1504-D1507 PolarHBondContact O-N 2.87Å; K1504-D1507 VanDerWaalsContact O-N 3.16Å; V1505-D1507 VanDerWaalsContact C-N 3.34Å; V1505-D1507 PolarHBondContact O-N 3.03Å; D1507-L1509 PolarHBondContact O-N 3.49Å; D1507-Q1510 PolarHBondContact O-N 3Å; D1507-L1511 WeakPolarHBondContact O-CG 3.46Å; D1507-L1511 PolarHBondContact O-N 3.49Å; D1507-L1511 VanDerWaalsContact O-N 3.11Å |
| 1508 | V | 85.3 | Confident | 85.6 | Confident | 32 Ų | 32 | 57.2 Ų | 57.2 | 19% | 0.194 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 177.1 | 176.3 | 0 | 0 | 0 | 0 | 111 | M1498 T1499 K1504 V1505 Q1510 L1511 L1512 | M1498-V1508 HydrophobicContact CB-CG1 4.38Å; T1499-V1508 HydrophobicContact CG2-CG2 4.3Å; K1504-V1508 PolarHBondContact O-N 2.83Å; K1504-V1508 VanDerWaalsContact O-N 3.1Å; V1505-V1508 PolarHBondContact O-N 2.96Å; V1508-Q1510 VanDerWaalsContact C-N 3.29Å; V1508-Q1510 PolarHBondContact O-N 3.44Å; V1508-L1511 WeakPolarHBondContact O-CB 3.48Å; V1508-L1511 PolarHBondContact O-N 3.38Å; V1508-L1511 VanDerWaalsContact O-N 3.09Å; V1508-L1512 HydrophobicContact CG1-CD1 4.21Å; V1508-L1512 HydrophobicContact CG1-CG 4.46Å; V1508-L1512 WeakPolarHBondContact O-CG 3.47Å; V1508-L1512 PolarHBondContact O-N 3.36Å; V1508-L1512 VanDerWaalsContact O-N 3.14Å |
| 1509 | L | 84.9 | Confident | 85.5 | Confident | 18 Ų | 18 | 60.3 Ų | 60.3 | 9% | 0.094 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.2 | -36.2 | 177.9 | -72.1 | 168.3 | 0 | 0 | 0 | 112.2 | V1475 T1477 L1495 M1498 V1505 A1506 D1507 L1511 L1512 | V1475-L1509 HydrophobicContact CG1-CD2 3.46Å; V1475-L1509 VanDerWaalsContact CG1-CD2 3.46Å; T1477-L1509 WeakPolarHBondContact O-CD1 3.49Å; L1495-L1509 HydrophobicContact CD2-CD1 3.95Å; M1498-L1509 HydrophobicContact CE-CD2 4.08Å; M1498-L1509 HydrophobicContact SD-CD2 4.26Å; V1505-L1509 HydrophobicContact CG1-CD1 3.68Å; V1505-L1509 HydrophobicContact CG1-CG 4.17Å; V1505-L1509 WeakPolarHBondContact O-CB 3.27Å; V1505-L1509 WeakPolarHBondContact O-CG 3.44Å; V1505-L1509 PolarHBondContact O-N 3.29Å; A1506-L1509 PolarHBondContact O-N 3.35Å; D1507-L1509 PolarHBondContact O-N 3.49Å; L1509-L1511 VanDerWaalsContact C-N 3.33Å; L1509-L1512 PolarHBondContact O-N 3.38Å |
| 1510 | Q | 80.1 | Confident | 85.6 | Confident | 146 Ų | 146 | 59.7 Ų | 59.7 | 68% | 0.682 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.9 | -32.9 | 174.1 | -72.9 | -177.3 | 12.9 | 0 | 0 | 112.6 | A1506 D1507 V1508 L1512 | A1506-Q1510 WeakPolarHBondContact O-CG 3.17Å; A1506-Q1510 PolarHBondContact O-N 3.35Å; D1507-Q1510 PolarHBondContact O-N 3Å; V1508-Q1510 VanDerWaalsContact C-N 3.29Å; V1508-Q1510 PolarHBondContact O-N 3.44Å; Q1510-L1512 VanDerWaalsContact C-N 3.35Å |
| 1511 | L | 80 | Confident | 85.7 | Confident | 108 Ų | 108 | 58.6 Ų | 58.6 | 57% | 0.565 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -75 | -21.7 | 177.2 | -68.2 | 171.1 | 0 | 0 | 0 | 113.5 | D1507 V1508 L1509 K1513 K1516 | D1507-L1511 WeakPolarHBondContact O-CG 3.46Å; D1507-L1511 PolarHBondContact O-N 3.49Å; D1507-L1511 VanDerWaalsContact O-N 3.11Å; V1508-L1511 WeakPolarHBondContact O-CB 3.48Å; V1508-L1511 PolarHBondContact O-N 3.38Å; V1508-L1511 VanDerWaalsContact O-N 3.09Å; L1509-L1511 VanDerWaalsContact C-N 3.33Å; L1511-K1513 VanDerWaalsContact C-N 3.35Å; L1511-K1513 PolarHBondContact O-N 3.25Å; L1511-K1513 VanDerWaalsContact O-N 3.1Å; L1511-K1516 WeakPolarHBondContact O-CD 3.47Å; L1511-K1516 PolarHBondContact O-NZ 2.68Å |
| 1512 | L | 84.3 | Confident | 85.7 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | trans | -82.9 | 71.2 | 179.5 | -68.1 | 174.5 | 0 | 0 | 0 | 111.8 | V1472 V1475 A1481 F1483 M1498 V1508 L1509 Q1510 V1518 L1535 | V1472-L1512 HydrophobicContact CG2-CB 4.44Å; V1472-L1512 HydrophobicContact CG2-CD2 3.95Å; V1475-L1512 HydrophobicContact CG2-CB 3.83Å; V1475-L1512 VanDerWaalsContact CG2-O 3.23Å; V1475-L1512 WeakPolarHBondContact CG2-O 3.33Å; A1481-L1512 HydrophobicContact CB-CD1 4.12Å; F1483-L1512 HydrophobicContact CE1-CD2 4.32Å; F1483-L1512 HydrophobicContact CZ-CD1 4.4Å; F1483-L1512 HydrophobicContact CZ-CD2 4.5Å; M1498-L1512 HydrophobicContact SD-CD1 4.07Å; V1508-L1512 HydrophobicContact CG1-CD1 4.21Å; V1508-L1512 HydrophobicContact CG1-CG 4.46Å; V1508-L1512 WeakPolarHBondContact O-CG 3.47Å; V1508-L1512 PolarHBondContact O-N 3.36Å; V1508-L1512 VanDerWaalsContact O-N 3.14Å; L1509-L1512 PolarHBondContact O-N 3.38Å; Q1510-L1512 VanDerWaalsContact C-N 3.35Å; L1512-V1518 HydrophobicContact CD2-CG1 3.9Å; L1512-V1518 HydrophobicContact CD2-CG2 4.15Å; L1512-L1535 HydrophobicContact CD1-CD1 3.92Å; L1512-L1535 HydrophobicContact CD2-CD2 4.4Å | ||
| 1513 | K | 80 | Confident | 85.5 | Confident | 149 Ų | 149 | 59.1 Ų | 59.1 | 65% | 0.648 | 30% | 0.298 | S | S | * | . | trans | -75.7 | 142.8 | 173.3 | -62 | -174.3 | -179.2 | -177 | 0 | 110.9 | V1472 L1511 K1516 | V1472-K1513 WeakPolarHBondContact CB-O 3.27Å; L1511-K1513 VanDerWaalsContact C-N 3.35Å; L1511-K1513 PolarHBondContact O-N 3.25Å; L1511-K1513 VanDerWaalsContact O-N 3.1Å; K1513-K1516 WeakPolarHBondContact O-CB 3.46Å; K1513-K1516 PolarHBondContact O-N 3.32Å; K1513-K1516 VanDerWaalsContact O-N 3.09Å | ||
| 1514 | K | 82.7 | Confident | 85.3 | Confident | 90 Ų | 90 | 56.4 Ų | 56.4 | 39% | 0.391 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 141.6 | 175.9 | -177.2 | 177.8 | 174.4 | -168.2 | 0 | 111.3 | K1516 | K1514-K1516 PolarHBondContact O-N 3.35Š|
| 1515 | N | 79.5 | Confident | 85 | Confident | 103 Ų | 103 | 54 Ų | 54 | 55% | 0.551 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 5.1 | -173.9 | -53.5 | -18.9 | 0 | 0 | 0 | 115.5 | V1472 | V1472-N1515 PolarHBondContact O-N 2.9Š|
| 1516 | K | 84.7 | Confident | 84.6 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 28% | 0.283 | 30% | 0.299 | S | S | . | . | trans | -76.8 | 138.4 | 171.7 | -169.6 | 175.8 | 172.9 | -178.1 | 0 | 109.9 | V1472 L1511 K1513 K1514 | V1472-K1516 HydrophobicContact CG2-CB 4.46Å; V1472-K1516 WeakPolarHBondContact CG2-O 3.44Å; V1472-K1516 PolarHBondContact N-O 3.46Å; L1511-K1516 WeakPolarHBondContact O-CD 3.47Å; L1511-K1516 PolarHBondContact O-NZ 2.68Å; K1513-K1516 WeakPolarHBondContact O-CB 3.46Å; K1513-K1516 PolarHBondContact O-N 3.32Å; K1513-K1516 VanDerWaalsContact O-N 3.09Å; K1514-K1516 PolarHBondContact O-N 3.35Å | ||
| 1517 | F | 88.2 | Confident | 84 | Confident | 10 Ų | 10 | 56.6 Ų | 56.6 | 4% | 0.044 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 133 | 171 | -68 | -90.4 | 0 | 0 | 0 | 110.2 | K1413 F1414 A1420 I1423 R1424 L1427 V1469 A1470 E1471 | K1413-F1517 HydrophobicContact CB-CZ 4.27Å; K1413-F1517 HydrophobicContact CD-CZ 4.12Å; K1413-F1517 HydrophobicContact CG-CE1 4.41Å; K1413-F1517 HydrophobicContact CG-CZ 4.12Å; F1414-F1517 HydrophobicContact CD1-CE1 4.19Å; F1414-F1517 HydrophobicContact CE1-CD1 4.29Å; F1414-F1517 AromaticContact CE1-CE1 3.89Å; F1414-F1517 HydrophobicContact CE1-CE1 3.89Å; F1414-F1517 HydrophobicContact CZ-CE1 4.32Å; A1420-F1517 HydrophobicContact CB-CB 4.06Å; A1420-F1517 WeakPolarHBondContact CB-O 3.35Å; I1423-F1517 HydrophobicContact CD1-CD1 4.17Å; I1423-F1517 HydrophobicContact CD1-CE1 4.41Å; I1423-F1517 HydrophobicContact CG2-CD1 4.14Å; I1423-F1517 HydrophobicContact CG2-CD2 3.89Å; I1423-F1517 HydrophobicContact CG2-CE1 4.15Å; I1423-F1517 HydrophobicContact CG2-CE2 3.94Å; I1423-F1517 HydrophobicContact CG2-CG 3.99Å; I1423-F1517 HydrophobicContact CG2-CZ 4.06Å; R1424-F1517 PolarHBondContact NH2-O 3.37Å; L1427-F1517 HydrophobicContact CD1-CD2 4.13Å; L1427-F1517 HydrophobicContact CD1-CE2 3.61Å; L1427-F1517 HydrophobicContact CD1-CZ 4.46Å; V1469-F1517 HydrophobicContact CG1-CB 4.18Å; V1469-F1517 HydrophobicContact CG1-CD1 3.95Å; A1470-F1517 CarbonylContact O-C 3.14Å; A1470-F1517 VanDerWaalsContact O-CA 3.29Å; A1470-F1517 WeakPolarHBondContact O-CA 3.18Å; E1471-F1517 HydrophobicContact CB-CD1 4.08Å; E1471-F1517 HydrophobicContact CB-CE1 3.84Å; E1471-F1517 HydrophobicContact CB-CZ 4.33Å; E1471-F1517 HydrophobicContact CG-CE1 4.4Å; E1471-F1517 HydrophobicContact CG-CZ 4.4Å |
| 1518 | V | 89.1 | Confident | 83.7 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 12% | 0.115 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 150.4 | 176.8 | -68.6 | 0 | 0 | 0 | 0 | 109.6 | A1470 V1472 F1483 L1512 V1520 L1535 | A1470-V1518 HydrophobicContact CB-CG2 4.47Å; A1470-V1518 PolarHBondContact N-O 2.77Å; A1470-V1518 PolarHBondContact O-N 2.76Å; V1472-V1518 HydrophobicContact CG2-CG2 4.14Å; F1483-V1518 HydrophobicContact CD1-CG2 4.08Å; F1483-V1518 HydrophobicContact CE1-CG2 3.65Å; L1512-V1518 HydrophobicContact CD2-CG1 3.9Å; L1512-V1518 HydrophobicContact CD2-CG2 4.15Å; V1518-V1520 HydrophobicContact CG2-CG1 4.06Å; V1518-L1535 HydrophobicContact CB-CD2 4.49Å; V1518-L1535 HydrophobicContact CG2-CD2 4.21Å |
| 1519 | D | 88.5 | Confident | 83.5 | Confident | 68 Ų | 68 | 62.1 Ų | 62.1 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 131.2 | 174.6 | -59 | -50.8 | 0 | 0 | 0 | 108.8 | A1420 | A1420-D1519 WeakPolarHBondContact CB-OD1 3.02Å; A1420-D1519 PolarHBondContact N-OD1 3.26Å |
| 1520 | V | 90.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 151.3 | -179.6 | -57.5 | 0 | 0 | 0 | 0 | 110.6 | P1467 T1468 A1470 F1483 L1485 V1518 V1533 L1535 | P1467-V1520 WeakPolarHBondContact CA-O 3.26Å; T1468-V1520 HydrophobicContact CG2-CG2 4.22Å; T1468-V1520 PolarHBondContact N-O 3.19Å; T1468-V1520 PolarHBondContact O-N 3.21Å; T1468-V1520 VanDerWaalsContact O-O 3.09Å; A1470-V1520 HydrophobicContact CB-CB 4.28Å; A1470-V1520 HydrophobicContact CB-CG1 3.81Å; A1470-V1520 HydrophobicContact CB-CG2 3.47Å; A1470-V1520 VanDerWaalsContact CB-CG2 3.47Å; F1483-V1520 HydrophobicContact CE1-CG1 4.48Å; L1485-V1520 HydrophobicContact CD2-CG2 3.78Å; V1518-V1520 HydrophobicContact CG2-CG1 4.06Å; V1520-V1533 HydrophobicContact CB-CB 4.03Å; V1520-V1533 HydrophobicContact CB-CG2 4.19Å; V1520-V1533 HydrophobicContact CG1-CG2 4.41Å; V1520-V1533 HydrophobicContact CG2-CB 3.94Å; V1520-V1533 HydrophobicContact CG2-CG1 4.04Å; V1520-V1533 HydrophobicContact CG2-CG2 4.19Å; V1520-L1535 HydrophobicContact CG1-CD2 3.76Å; V1520-L1535 HydrophobicContact CG1-CG 4.17Å |
| 1521 | C | 89.2 | Confident | 84.1 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.014 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 117.1 | 176.7 | -167.7 | 0 | 0 | 0 | 0 | 110.6 | G1465 V1523 V1533 S1534 V1539 | G1465-C1521 VanDerWaalsContact C-SG 3.52Å; C1521-V1523 PolarHBondContact O-N 3.47Å; C1521-V1533 CarbonylContact O-C 3.59Å; C1521-V1533 VanDerWaalsContact O-CA 3.3Å; C1521-V1533 WeakPolarHBondContact O-CA 3.37Å; C1521-S1534 PolarHBondContact N-O 3.5Å; C1521-S1534 PolarHBondContact O-N 3.48Å; C1521-V1539 HydrophobicContact CB-CG1 3.97Å |
| 1522 | P | 90.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 118 | 174.3 | -17.5 | 31.5 | 0 | 0 | 0 | 111.5 | V1462 I1464 G1465 I1466 T1468 W1531 V1533 | V1462-P1522 HydrophobicContact CG1-CB 4.03Å; V1462-P1522 HydrophobicContact CG1-CG 3.57Å; I1464-P1522 WeakPolarHBondContact CA-O 3.23Å; G1465-P1522 PolarHBondContact N-O 3.35Å; I1466-P1522 WeakPolarHBondContact O-CD 3.3Å; T1468-P1522 HydrophobicContact CG2-CG 3.91Å; P1522-W1531 HydrophobicContact CB-CD2 4.48Å; P1522-W1531 HydrophobicContact CB-CE3 3.83Å; P1522-W1531 HydrophobicContact CB-CZ3 4.26Å; P1522-V1533 HydrophobicContact CB-CG1 4.49Å |
| 1523 | V | 86.8 | Confident | 84.9 | Confident | 39 Ų | 39 | 55.9 Ų | 55.9 | 24% | 0.236 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -29.2 | -176.9 | -66.5 | 0 | 0 | 0 | 0 | 113.3 | C1521 V1532 V1539 | C1521-V1523 PolarHBondContact O-N 3.47Å; V1523-V1532 HydrophobicContact CG2-CB 3.96Å; V1523-V1532 HydrophobicContact CG2-CG1 3.77Å; V1523-V1532 WeakPolarHBondContact CG2-O 3.4Å; V1523-V1532 PolarHBondContact N-O 3.34Å; V1523-V1539 HydrophobicContact CG1-CG1 4.06Å |
| 1524 | L | 82.2 | Confident | 85.4 | Confident | 56 Ų | 56 | 48.9 Ų | 48.9 | 29% | 0.293 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 128.5 | -179.3 | -174.7 | 77 | 0 | 0 | 0 | 111.8 | K1526 W1531 V1532 Y1582 | L1524-K1526 HydrophobicContact CD2-CG 4.33Å; L1524-W1531 CarbonylContact O-C 3.58Å; L1524-W1531 WeakPolarHBondContact O-CA 3.48Å; L1524-V1532 HydrophobicContact CB-CB 3.99Å; L1524-V1532 HydrophobicContact CB-CG2 4.12Å; L1524-V1532 HydrophobicContact CD2-CG2 4.11Å; L1524-V1532 PolarHBondContact N-O 3.46Å; L1524-V1532 PolarHBondContact O-N 3.32Å; L1524-Y1582 HydrophobicContact CB-CE2 4.42Å; L1524-Y1582 HydrophobicContact CD2-CD2 4.24Å; L1524-Y1582 HydrophobicContact CD2-CE2 3.89Å |
| 1525 | C | 81.9 | Confident | 85.7 | Confident | 61 Ų | 61 | 45.9 Ų | 45.9 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 120.2 | 168.5 | -172.2 | 0 | 0 | 0 | 0 | 110.2 | W1531 | C1525-W1531 HydrophobicContact CB-CD2 4.26Å; C1525-W1531 HydrophobicContact CB-CE3 3.8Å; C1525-W1531 HydrophobicContact CB-CH2 3.84Å; C1525-W1531 HydrophobicContact CB-CZ2 4.27Å; C1525-W1531 HydrophobicContact CB-CZ3 3.58Å |
| 1526 | K | 78.7 | Confident | 86.2 | Confident | 88 Ų | 88 | 41.1 Ų | 41.1 | 38% | 0.383 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 4.7 | 174.3 | -76.9 | -175.1 | 170.8 | 175.4 | 0 | 113.2 | Y1494 L1524 K1530 V1532 | Y1494-K1526 PolarHBondContact OH-NZ 2.72Å; L1524-K1526 HydrophobicContact CD2-CG 4.33Å; K1526-K1530 HydrophobicContact CB-CB 4.24Å; K1526-K1530 PolarHBondContact N-O 3.22Å; K1526-V1532 HydrophobicContact CD-CG2 3.9Å; K1526-V1532 HydrophobicContact CG-CG2 4.15Å |
| 1527 | G | 71.8 | Confident | 86 | Confident | 32 Ų | 32 | 44.7 Ų | 44.7 | 33% | 0.33 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 77.9 | 171.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K1529 K1530 | G1527-K1529 VanDerWaalsContact C-N 3.29Å; G1527-K1529 PolarHBondContact O-N 3.03Å; G1527-K1530 WeakPolarHBondContact O-CB 3.48Å; G1527-K1530 PolarHBondContact O-N 3.16Å |
| 1528 | N | 78.6 | Confident | 85.7 | Confident | 116 Ų | 116 | 45.3 Ų | 45.3 | 62% | 0.62 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 41.6 | -177.2 | -74.6 | 7 | 0 | 0 | 0 | 114.1 | K1530 K2015 | N1528-K1530 PolarHBondContact O-N 2.83Å; N1528-K2015 VanDerWaalsContact CG-NZ 3.28Å; N1528-K2015 PolarHBondContact ND2-NZ 2.87Å; N1528-K2015 PolarHBondContact OD1-NZ 2.87Å |
| 1529 | K | 80.9 | Confident | 85.4 | Confident | 124 Ų | 124 | 46.2 Ų | 46.2 | 54% | 0.539 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 19.3 | -176.3 | -57.2 | -172.1 | 173.2 | -165.4 | 0 | 114.5 | A1487 C1489 S1490 G1527 | A1487-K1529 PolarHBondContact O-NZ 3.26Å; C1489-K1529 CarbonylContact C-O 3.41Å; C1489-K1529 VanDerWaalsContact CA-O 3.26Å; C1489-K1529 WeakPolarHBondContact CA-O 3.48Å; C1489-K1529 HydrophobicContact CB-CB 4.42Å; S1490-K1529 PolarHBondContact N-O 3.24Å; G1527-K1529 VanDerWaalsContact C-N 3.29Å; G1527-K1529 PolarHBondContact O-N 3.03Å |
| 1530 | K | 86.4 | Confident | 84.9 | Confident | 123 Ų | 123 | 44.2 Ų | 44.2 | 54% | 0.535 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 134.8 | 175.2 | -64 | -175.6 | 175.7 | -179 | 0 | 111 | S1490 K1526 G1527 N1528 | S1490-K1530 CarbonylContact O-C 3.23Å; S1490-K1530 WeakPolarHBondContact O-CA 3.41Å; K1526-K1530 HydrophobicContact CB-CB 4.24Å; K1526-K1530 PolarHBondContact N-O 3.22Å; G1527-K1530 WeakPolarHBondContact O-CB 3.48Å; G1527-K1530 PolarHBondContact O-N 3.16Å; N1528-K1530 PolarHBondContact O-N 2.83Å |
| 1531 | W | 91 | Very high | 84 | Confident | 29 Ų | 29 | 48.7 Ų | 48.7 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 146.7 | -175.3 | -64.3 | 85.9 | 0 | 0 | 0 | 110.5 | V1462 I1464 L1485 S1490 G1491 V1492 P1522 L1524 C1525 V1533 | V1462-W1531 HydrophobicContact CB-CZ2 4.02Å; V1462-W1531 HydrophobicContact CG1-CD2 4.05Å; V1462-W1531 HydrophobicContact CG1-CE3 4.39Å; V1462-W1531 HydrophobicContact CG1-CH2 4.36Å; V1462-W1531 HydrophobicContact CG1-CZ2 4.03Å; I1464-W1531 HydrophobicContact CD1-CZ3 4.45Å; I1464-W1531 HydrophobicContact CG1-CH2 4.31Å; I1464-W1531 HydrophobicContact CG1-CZ3 3.63Å; L1485-W1531 HydrophobicContact CD1-CB 3.96Å; L1485-W1531 HydrophobicContact CD1-CG 4.15Å; S1490-W1531 PolarHBondContact O-N 3.13Å; G1491-W1531 CarbonylContact C-O 3.38Å; G1491-W1531 VanDerWaalsContact CA-O 3.26Å; G1491-W1531 WeakPolarHBondContact CA-O 3.45Å; V1492-W1531 PolarHBondContact N-O 2.82Å; P1522-W1531 HydrophobicContact CB-CD2 4.48Å; P1522-W1531 HydrophobicContact CB-CE3 3.83Å; P1522-W1531 HydrophobicContact CB-CZ3 4.26Å; L1524-W1531 CarbonylContact O-C 3.58Å; L1524-W1531 WeakPolarHBondContact O-CA 3.48Å; C1525-W1531 HydrophobicContact CB-CD2 4.26Å; C1525-W1531 HydrophobicContact CB-CE3 3.8Å; C1525-W1531 HydrophobicContact CB-CH2 3.84Å; C1525-W1531 HydrophobicContact CB-CZ2 4.27Å; C1525-W1531 HydrophobicContact CB-CZ3 3.58Å; W1531-V1533 HydrophobicContact CB-CG1 4.25Å |
| 1532 | V | 88.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 132.6 | 158.3 | -174.2 | 0 | 0 | 0 | 0 | 106.6 | V1492 Y1494 V1523 L1524 K1526 Y1582 | V1492-V1532 VanDerWaalsContact O-CA 3.3Å; V1492-V1532 WeakPolarHBondContact O-CA 3.46Å; V1492-V1532 WeakPolarHBondContact O-CG1 3.35Å; Y1494-V1532 HydrophobicContact CD2-CG1 4.16Å; Y1494-V1532 HydrophobicContact CE2-CG1 4.16Å; Y1494-V1532 HydrophobicContact CE2-CG2 4.29Å; V1523-V1532 HydrophobicContact CG2-CB 3.96Å; V1523-V1532 HydrophobicContact CG2-CG1 3.77Å; V1523-V1532 WeakPolarHBondContact CG2-O 3.4Å; V1523-V1532 PolarHBondContact N-O 3.34Å; L1524-V1532 HydrophobicContact CB-CB 3.99Å; L1524-V1532 HydrophobicContact CB-CG2 4.12Å; L1524-V1532 HydrophobicContact CD2-CG2 4.11Å; L1524-V1532 PolarHBondContact N-O 3.46Å; L1524-V1532 PolarHBondContact O-N 3.32Å; K1526-V1532 HydrophobicContact CD-CG2 3.9Å; K1526-V1532 HydrophobicContact CG-CG2 4.15Å; V1532-Y1582 HydrophobicContact CG1-CG 4.32Å |
| 1533 | V | 92.5 | Very high | 81.2 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 149.6 | -178 | -58.4 | 0 | 0 | 0 | 0 | 109.3 | F1483 L1485 V1492 A1493 V1520 C1521 P1522 W1531 | F1483-V1533 HydrophobicContact CD2-CG2 3.75Å; F1483-V1533 HydrophobicContact CE2-CG2 4.1Å; L1485-V1533 HydrophobicContact CD1-CG1 4.06Å; L1485-V1533 HydrophobicContact CD2-CG1 4.41Å; V1492-V1533 PolarHBondContact O-N 2.82Å; A1493-V1533 VanDerWaalsContact CA-O 3.31Å; A1493-V1533 WeakPolarHBondContact CA-O 2.82Å; A1493-V1533 HydrophobicContact CB-CG2 4.17Å; A1493-V1533 VanDerWaalsContact CB-O 3.28Å; A1493-V1533 WeakPolarHBondContact CB-O 3.37Å; V1520-V1533 HydrophobicContact CB-CB 4.03Å; V1520-V1533 HydrophobicContact CB-CG2 4.19Å; V1520-V1533 HydrophobicContact CG1-CG2 4.41Å; V1520-V1533 HydrophobicContact CG2-CB 3.94Å; V1520-V1533 HydrophobicContact CG2-CG1 4.04Å; V1520-V1533 HydrophobicContact CG2-CG2 4.19Å; C1521-V1533 CarbonylContact O-C 3.59Å; C1521-V1533 VanDerWaalsContact O-CA 3.3Å; C1521-V1533 WeakPolarHBondContact O-CA 3.37Å; P1522-V1533 HydrophobicContact CB-CG1 4.49Å; W1531-V1533 HydrophobicContact CB-CG1 4.25Å |
| 1534 | S | 90.1 | Very high | 79.7 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.007 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 143.2 | 176.5 | -167.7 | 0 | 0 | 0 | 0 | 110.7 | D1497 C1521 R1536 C1540 | D1497-S1534 PolarHBondContact O-OG 3.08Å; C1521-S1534 PolarHBondContact N-O 3.5Å; C1521-S1534 PolarHBondContact O-N 3.48Å; S1534-R1536 WeakPolarHBondContact OG-CG 3.36Å; S1534-R1536 PolarHBondContact OG-N 3.5Å; S1534-C1540 PolarHBondContact O-SG 3.25Å; S1534-C1540 VanDerWaalsContact O-SG 3.41Å |
| 1535 | L | 90.3 | Very high | 78.5 | Confident | 27 Ų | 27 | 69.5 Ų | 69.5 | 14% | 0.141 | 37% | 0.372 | C | S | . | . | trans | -105.2 | -2.3 | 172.8 | -73 | 148.4 | 0 | 0 | 0 | 111.9 | F1483 A1493 D1497 M1498 L1512 V1518 V1520 E1537 | F1483-L1535 HydrophobicContact CE2-CD1 4.48Å; F1483-L1535 HydrophobicContact CZ-CD1 3.92Å; A1493-L1535 HydrophobicContact CB-CD1 3.99Å; D1497-L1535 PolarHBondContact O-N 2.8Å; M1498-L1535 WeakPolarHBondContact O-CB 3.34Å; M1498-L1535 HydrophobicContact SD-CD1 3.48Å; M1498-L1535 WeakPolarHBondContact SD-CD1 3.42Å; L1512-L1535 HydrophobicContact CD1-CD1 3.92Å; L1512-L1535 HydrophobicContact CD2-CD2 4.4Å; V1518-L1535 HydrophobicContact CB-CD2 4.49Å; V1518-L1535 HydrophobicContact CG2-CD2 4.21Å; V1520-L1535 HydrophobicContact CG1-CD2 3.76Å; V1520-L1535 HydrophobicContact CG1-CG 4.17Å; L1535-E1537 PolarHBondContact O-N 3.1Å | ||
| 1536 | R | 88.7 | Confident | 77.6 | Confident | 3 Ų | 3 | 75.4 Ų | 75.4 | 1% | 0.011 | 40% | 0.398 | C | S | . | . | trans | -60.1 | 130.2 | -178 | -61.8 | -173.3 | 92.6 | 147.7 | 25.3 | 110.5 | D1497 T1499 D1500 S1534 S1538 V1539 C1540 D1549 V1551 | D1497-R1536 PolarHBondContact O-N 2.88Å; T1499-R1536 PolarHBondContact O-NE 3.4Å; T1499-R1536 VanDerWaalsContact O-NE 3.15Å; T1499-R1536 PolarHBondContact O-NH2 3.33Å; D1500-R1536 WeakPolarHBondContact OD1-CB 3.43Å; D1500-R1536 IonicContact OD1-CZ 3.83Å; D1500-R1536 IonicContact OD1-NE 3.04Å; D1500-R1536 PolarHBondContact OD1-NE 3.14Å; D1500-R1536 IonicContact OD1-NH2 2.64Å; S1534-R1536 WeakPolarHBondContact OG-CG 3.36Å; S1534-R1536 PolarHBondContact OG-N 3.5Å; R1536-S1538 PolarHBondContact O-N 3.06Å; R1536-V1539 HydrophobicContact CB-CB 4.22Å; R1536-V1539 HydrophobicContact CB-CG2 3.9Å; R1536-V1539 PolarHBondContact O-N 2.69Å; R1536-C1540 PolarHBondContact O-N 2.91Å; R1536-D1549 VanDerWaalsContact CZ-O 3.31Å; R1536-D1549 PolarHBondContact NH1-O 2.98Å; R1536-D1549 PolarHBondContact NH2-O 2.72Å; R1536-V1551 VanDerWaalsContact NH1-CG2 3.3Å | ||
| 1537 | E | 81.4 | Confident | 77.5 | Confident | 141 Ų | 141 | 73.7 Ų | 73.7 | 66% | 0.659 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -58.9 | -40.3 | 180 | -66.4 | 178.1 | 179.8 | 0 | 0 | 110.7 | D1500 L1535 V1539 C1540 C1541 | D1500-E1537 PolarHBondContact OD2-N 3.25Å; L1535-E1537 PolarHBondContact O-N 3.1Å; E1537-V1539 PolarHBondContact O-N 3.11Å; E1537-C1540 PolarHBondContact O-N 3.39Å; E1537-C1541 WeakPolarHBondContact O-CB 3.47Å; E1537-C1541 PolarHBondContact O-N 3.36Å |
| 1538 | S | 81.6 | Confident | 78 | Confident | 23 Ų | 23 | 77 Ų | 77 | 16% | 0.161 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -56.7 | -33 | 173.8 | 63.8 | 0 | 0 | 0 | 0 | 114.1 | D1500 R1536 N1542 | D1500-S1538 VanDerWaalsContact CG-OG 3.27Å; D1500-S1538 WeakPolarHBondContact OD1-CB 3.4Å; D1500-S1538 PolarHBondContact OD1-OG 3.34Å; D1500-S1538 VanDerWaalsContact OD2-CB 3.24Å; D1500-S1538 WeakPolarHBondContact OD2-CB 3.33Å; D1500-S1538 PolarHBondContact OD2-N 3.32Å; D1500-S1538 PolarHBondContact OD2-OG 2.82Å; R1536-S1538 PolarHBondContact O-N 3.06Å; S1538-N1542 PolarHBondContact O-N 3.08Å |
| 1539 | V | 83.1 | Confident | 78.4 | Confident | 37 Ų | 37 | 71.8 Ų | 71.8 | 22% | 0.224 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -91.7 | -35.6 | -177.7 | -177 | 0 | 0 | 0 | 0 | 111.9 | C1521 V1523 R1536 E1537 V1551 | C1521-V1539 HydrophobicContact CB-CG1 3.97Å; V1523-V1539 HydrophobicContact CG1-CG1 4.06Å; R1536-V1539 HydrophobicContact CB-CB 4.22Å; R1536-V1539 HydrophobicContact CB-CG2 3.9Å; R1536-V1539 PolarHBondContact O-N 2.69Å; E1537-V1539 PolarHBondContact O-N 3.11Å; V1539-V1551 HydrophobicContact CG2-CG2 4.12Å |
| 1540 | C | 78.1 | Confident | 78.4 | Confident | 26 Ų | 26 | 70 Ų | 70 | 18% | 0.176 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -80 | -33.8 | -179.9 | -71.3 | 0 | 0 | 0 | 0 | 112.9 | P1467 S1534 R1536 E1537 | P1467-C1540 WeakPolarHBondContact CG-O 3.33Å; S1534-C1540 PolarHBondContact O-SG 3.25Å; S1534-C1540 VanDerWaalsContact O-SG 3.41Å; R1536-C1540 PolarHBondContact O-N 2.91Å; E1537-C1540 PolarHBondContact O-N 3.39Å |
| 1541 | C | 71.3 | Confident | 78.3 | Confident | 95 Ų | 95 | 67.1 Ų | 67.1 | 64% | 0.642 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -111.3 | -5.2 | -172.9 | -61.1 | 0 | 0 | 0 | 0 | 114.3 | E1537 D1543 | E1537-C1541 WeakPolarHBondContact O-CB 3.47Å; E1537-C1541 PolarHBondContact O-N 3.36Å; C1541-D1543 PolarHBondContact O-N 2.56Å |
| 1542 | N | 62.5 | Low | 77.8 | Confident | 143 Ų | 143 | 66.5 Ų | 66.5 | 77% | 0.765 | 37% | 0.365 | S | S | * | . | trans | 55.3 | 28.8 | -174.5 | -92.5 | -11.7 | 0 | 0 | 0 | 113.8 | S1538 | S1538-N1542 PolarHBondContact O-N 3.08Š| ||
| 1543 | D | 57.8 | Low | 77.1 | Confident | 115 Ų | 115 | 69.8 Ų | 69.8 | 62% | 0.615 | 39% | 0.388 | S | S | * | . | trans | -86.7 | 122 | -178.5 | -146.3 | -12.1 | 0 | 0 | 0 | 110.6 | C1541 A1545 | C1541-D1543 PolarHBondContact O-N 2.56Å; D1543-A1545 VanDerWaalsContact C-N 3.26Å; D1543-A1545 PolarHBondContact O-N 3.14Å | ||
| 1544 | K | 56.5 | Low | 76.3 | Confident | 206 Ų | 206 | 72.1 Ų | 72.1 | 90% | 0.896 | 40% | 0.404 | S | S | * | . | trans | -88.9 | 35.6 | -170.9 | -65.3 | -175 | -179.5 | 179.1 | 0 | 113.3 | ||||
| 1545 | A | 56.5 | Low | 75.4 | Confident | 70 Ų | 70 | 75.6 Ų | 75.6 | 58% | 0.579 | 43% | 0.425 | S | S | * | . | trans | -64.8 | 158 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D1543 V1547 | D1543-A1545 VanDerWaalsContact C-N 3.26Å; D1543-A1545 PolarHBondContact O-N 3.14Å; A1545-V1547 WeakPolarHBondContact O-CG2 3.11Å; A1545-V1547 PolarHBondContact O-N 3.06Å | ||
| 1546 | L | 63.6 | Low | 74.4 | Confident | 185 Ų | 185 | 79.2 Ų | 79.2 | 97% | 0.969 | 45% | 0.452 | S | S | * | . | trans | -64.1 | 98.4 | 179.8 | -155.6 | 92.7 | 0 | 0 | 0 | 109.7 | K1548 | L1546-K1548 PolarHBondContact O-N 3.47Š| ||
| 1547 | V | 76 | Confident | 73.6 | Confident | 51 Ų | 51 | 82.1 Ų | 82.1 | 31% | 0.309 | 48% | 0.477 | S | S | . | . | trans | -72.9 | 115.7 | -178.5 | -178 | 0 | 0 | 0 | 0 | 109.2 | D1500 A1545 D1549 | D1500-V1547 HydrophobicContact CB-CG1 3.94Å; A1545-V1547 WeakPolarHBondContact O-CG2 3.11Å; A1545-V1547 PolarHBondContact O-N 3.06Å; V1547-D1549 WeakPolarHBondContact CG1-O 3.35Å; V1547-D1549 PolarHBondContact O-N 3.1Å | ||
| 1548 | K | 81.3 | Confident | 73.4 | Confident | 102 Ų | 102 | 75.8 Ų | 75.8 | 44% | 0.443 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -62.7 | -40.1 | -178.3 | -166.7 | 179.5 | 167.3 | -162.8 | 0 | 112 | D1501 E1503 L1546 | D1501-K1548 HydrophobicContact CB-CD 4.35Å; D1501-K1548 WeakPolarHBondContact OD1-CD 3.16Å; D1501-K1548 IonicContact OD1-NZ 3.61Å; D1501-K1548 PolarHBondContact OD1-NZ 3.37Å; D1501-K1548 IonicContact OD2-NZ 3.13Å; D1501-K1548 PolarHBondContact OD2-NZ 3.14Å; E1503-K1548 IonicContact OE1-NZ 2.63Å; E1503-K1548 PolarHBondContact OE1-NZ 2.95Å; E1503-K1548 IonicContact OE2-NZ 3.83Å; E1503-K1548 PolarHBondContact OE2-NZ 2.95Å; L1546-K1548 PolarHBondContact O-N 3.47Å |
| 1549 | D | 88 | Confident | 73.2 | Confident | 7 Ų | 7 | 78.4 Ų | 78.4 | 4% | 0.037 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -116.4 | 102.7 | 171.8 | -61.2 | -67.3 | 0 | 0 | 0 | 111.1 | D1500 Y1502 R1536 V1547 R1565 | D1500-D1549 PolarHBondContact O-N 2.9Å; D1500-D1549 VanDerWaalsContact O-N 3.09Å; Y1502-D1549 WeakPolarHBondContact CB-OD2 3.41Å; Y1502-D1549 HydrophobicContact CD1-CB 4.05Å; Y1502-D1549 HydrophobicContact CD2-CB 4Å; Y1502-D1549 HydrophobicContact CE1-CB 4.04Å; Y1502-D1549 HydrophobicContact CE2-CB 3.99Å; Y1502-D1549 HydrophobicContact CG-CB 4.04Å; Y1502-D1549 PolarHBondContact N-OD2 3.29Å; R1536-D1549 VanDerWaalsContact CZ-O 3.31Å; R1536-D1549 PolarHBondContact NH1-O 2.98Å; R1536-D1549 PolarHBondContact NH2-O 2.72Å; V1547-D1549 WeakPolarHBondContact CG1-O 3.35Å; V1547-D1549 PolarHBondContact O-N 3.1Å; D1549-R1565 IonicContact OD1-CZ 3.11Å; D1549-R1565 VanDerWaalsContact OD1-CZ 3.25Å; D1549-R1565 IonicContact OD1-NE 3.85Å; D1549-R1565 PolarHBondContact OD1-NE 3.46Å; D1549-R1565 IonicContact OD1-NH2 3.58Å; D1549-R1565 PolarHBondContact OD1-NH2 3.01Å; D1549-R1565 IonicContact OD2-CZ 3.81Å; D1549-R1565 IonicContact OD2-NE 3.58Å; D1549-R1565 IonicContact OD2-NH2 3.99Å; D1549-R1565 PolarHBondContact OD2-NH2 2.99Å |
| 1550 | P | 81.8 | Confident | 72.9 | Confident | 86 Ų | 86 | 80.3 Ų | 80.3 | 56% | 0.558 | 48% | 0.479 | S | S | * | . | trans | -62.8 | 153.9 | -174.8 | 24.2 | -33.1 | 0 | 0 | 0 | 113.4 | I1552 | P1550-I1552 PolarHBondContact O-N 3.12Š| ||
| 1551 | V | 82.8 | Confident | 72.9 | Confident | 63 Ų | 63 | 81.9 Ų | 81.9 | 38% | 0.382 | 50% | 0.499 | S | S | . | . | trans | -74.3 | 110 | 174.5 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | R1536 V1539 S1553 | R1536-V1551 VanDerWaalsContact NH1-CG2 3.3Å; V1539-V1551 HydrophobicContact CG2-CG2 4.12Å; V1551-S1553 PolarHBondContact O-N 3.16Å | ||
| 1552 | I | 82.2 | Confident | 73.6 | Confident | 16 Ų | 16 | 79.5 Ų | 79.5 | 8% | 0.082 | 48% | 0.482 | C | S | . | . | trans | -93.9 | 93.3 | 177.6 | -46.7 | 172 | 0 | 0 | 0 | 108.5 | P1550 A1557 L1558 C1564 L1580 I1584 | P1550-I1552 PolarHBondContact O-N 3.12Å; I1552-A1557 HydrophobicContact CG2-CB 4.37Å; I1552-L1558 HydrophobicContact CD1-CD2 4.14Å; I1552-L1558 HydrophobicContact CG2-CD1 4.07Å; I1552-L1558 HydrophobicContact CG2-CD2 4.27Å; I1552-L1558 HydrophobicContact CG2-CG 4.02Å; I1552-C1564 HydrophobicContact CD1-CB 4.44Å; I1552-L1580 HydrophobicContact CD1-CB 4.18Å; I1552-I1584 HydrophobicContact CB-CD1 4.3Å; I1552-I1584 HydrophobicContact CG2-CD1 3.52Å; I1552-I1584 WeakPolarHBondContact O-CD1 3.48Å | ||
| 1553 | S | 73.8 | Confident | 74.7 | Confident | 69 Ų | 69 | 76 Ų | 76 | 48% | 0.483 | 47% | 0.465 | S | S | . | . | trans | -91.1 | -25.2 | -178.3 | 54.6 | 0 | 0 | 0 | 0 | 114.1 | V1551 | V1551-S1553 PolarHBondContact O-N 3.16Š| ||
| 1554 | S | 74.3 | Confident | 76.2 | Confident | 48 Ų | 48 | 71.3 Ų | 71.3 | 34% | 0.336 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -138.5 | 152.8 | 178.5 | 61.1 | 0 | 0 | 0 | 0 | 112.2 | S1556 A1557 I1584 | S1554-S1556 PolarHBondContact O-N 3.26Å; S1554-S1556 PolarHBondContact OG-OG 3.33Å; S1554-A1557 WeakPolarHBondContact O-CB 3.45Å; S1554-A1557 PolarHBondContact O-N 2.85Å; S1554-A1557 VanDerWaalsContact O-N 3.14Å; S1554-I1584 VanDerWaalsContact C-CD1 3.44Å |
| 1555 | T | 71.3 | Confident | 77.9 | Confident | 75 Ų | 75 | 63.7 Ų | 63.7 | 46% | 0.46 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -64.5 | -21.6 | 177.3 | 52.4 | 0 | 0 | 0 | 0 | 113 | A1557 L1558 I1584 I1634 | T1555-A1557 PolarHBondContact O-N 2.82Å; T1555-L1558 PolarHBondContact O-N 2.93Å; T1555-L1558 VanDerWaalsContact O-N 3.12Å; T1555-I1584 HydrophobicContact CG2-CG2 4.4Å; T1555-I1634 HydrophobicContact CG2-CD1 4.13Å |
| 1556 | S | 70.8 | Confident | 79.5 | Confident | 102 Ų | 102 | 60.3 Ų | 60.3 | 71% | 0.713 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -64.9 | -15.1 | 174 | 60.5 | 0 | 0 | 0 | 0 | 114 | S1554 L1558 | S1554-S1556 PolarHBondContact O-N 3.26Å; S1554-S1556 PolarHBondContact OG-OG 3.33Å; S1556-L1558 VanDerWaalsContact C-N 3.28Å |
| 1557 | A | 71.3 | Confident | 80.9 | Confident | 65 Ų | 65 | 52.1 Ų | 52.1 | 54% | 0.537 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -81.5 | -7.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1552 S1554 T1555 | I1552-A1557 HydrophobicContact CG2-CB 4.37Å; S1554-A1557 WeakPolarHBondContact O-CB 3.45Å; S1554-A1557 PolarHBondContact O-N 2.85Å; S1554-A1557 VanDerWaalsContact O-N 3.14Å; T1555-A1557 PolarHBondContact O-N 2.82Å |
| 1558 | L | 77.9 | Confident | 81.6 | Confident | 8 Ų | 8 | 49.7 Ų | 49.7 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | trans | -110.2 | 138 | -177.9 | -63.9 | 171.2 | 0 | 0 | 0 | 109.5 | I1552 T1555 S1556 T1562 L1580 I1584 V1615 T1618 I1634 | I1552-L1558 HydrophobicContact CD1-CD2 4.14Å; I1552-L1558 HydrophobicContact CG2-CD1 4.07Å; I1552-L1558 HydrophobicContact CG2-CD2 4.27Å; I1552-L1558 HydrophobicContact CG2-CG 4.02Å; T1555-L1558 PolarHBondContact O-N 2.93Å; T1555-L1558 VanDerWaalsContact O-N 3.12Å; S1556-L1558 VanDerWaalsContact C-N 3.28Å; L1558-T1562 HydrophobicContact CD2-CG2 4.19Å; L1558-L1580 HydrophobicContact CD1-CD1 3.97Å; L1558-I1584 HydrophobicContact CD1-CG2 4.15Å; L1558-V1615 HydrophobicContact CB-CG2 4.42Å; L1558-V1615 HydrophobicContact CD1-CG2 4.44Å; L1558-V1615 HydrophobicContact CD2-CG2 4.23Å; L1558-T1618 HydrophobicContact CB-CG2 4.36Å; L1558-T1618 WeakPolarHBondContact O-CG2 3.5Å; L1558-I1634 HydrophobicContact CD1-CD1 3.74Å | ||
| 1559 | C | 76.7 | Confident | 81.7 | Confident | 77 Ų | 77 | 51.8 Ų | 51.8 | 52% | 0.52 | 33% | 0.326 | S | S | . | . | trans | -120.3 | 153.7 | 171 | -67.8 | 0 | 0 | 0 | 0 | 110.1 | G1561 T1562 | C1559-G1561 PolarHBondContact O-N 2.94Å; C1559-T1562 PolarHBondContact N-OG1 3.28Å; C1559-T1562 WeakPolarHBondContact O-CB 3.49Å; C1559-T1562 PolarHBondContact O-N 3.37Å; C1559-T1562 PolarHBondContact O-OG1 3.48Å | ||
| 1560 | P | 77.4 | Confident | 81.6 | Confident | 78 Ų | 78 | 55.3 Ų | 55.3 | 51% | 0.506 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 131.9 | 172.6 | -20.5 | 34.7 | 0 | 0 | 0 | 110 | V1615 T1618 | P1560-V1615 CarbonylContact C-O 3.53Å; P1560-V1615 WeakPolarHBondContact CA-O 3.37Å; P1560-T1618 VanDerWaalsContact CD-OG1 3.27Å; P1560-T1618 WeakPolarHBondContact CD-OG1 3.44Å; P1560-T1618 HydrophobicContact CG-CG2 4.19Å; P1560-T1618 WeakPolarHBondContact CG-OG1 3.37Å |
| 1561 | G | 77.4 | Confident | 81.6 | Confident | 58 Ų | 58 | 52.1 Ų | 52.1 | 60% | 0.598 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.6 | -6.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | C1559 V1563 V1615 | C1559-G1561 PolarHBondContact O-N 2.94Å; G1561-V1563 PolarHBondContact O-N 3.1Å; G1561-V1615 PolarHBondContact N-O 3.44Å |
| 1562 | T | 85.1 | Confident | 81.6 | Confident | 46 Ų | 46 | 51.2 Ų | 51.2 | 28% | 0.282 | 32% | 0.318 | S | S | . | . | trans | -67.9 | 119.6 | 176.9 | -52.6 | 0 | 0 | 0 | 0 | 109.7 | L1558 C1559 V1615 | L1558-T1562 HydrophobicContact CD2-CG2 4.19Å; C1559-T1562 PolarHBondContact N-OG1 3.28Å; C1559-T1562 WeakPolarHBondContact O-CB 3.49Å; C1559-T1562 PolarHBondContact O-N 3.37Å; C1559-T1562 PolarHBondContact O-OG1 3.48Å; T1562-V1615 PolarHBondContact O-N 2.9Å | ||
| 1563 | V | 87.2 | Confident | 81.3 | Confident | 68 Ų | 68 | 54.8 Ų | 54.8 | 41% | 0.412 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123.8 | 173.5 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | G1561 T1612 V1613 A1614 | G1561-V1563 PolarHBondContact O-N 3.1Å; V1563-T1612 HydrophobicContact CG1-CG2 3.5Å; V1563-V1613 WeakPolarHBondContact CA-O 3.23Å; V1563-A1614 HydrophobicContact CG2-CB 4.26Å |
| 1564 | C | 88.8 | Confident | 81.4 | Confident | 18 Ų | 18 | 55.3 Ų | 55.3 | 12% | 0.122 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 161.5 | 178.2 | 57.9 | 0 | 0 | 0 | 0 | 111.2 | I1552 V1613 | I1552-C1564 HydrophobicContact CD1-CB 4.44Å; C1564-V1613 PolarHBondContact N-O 3.02Å; C1564-V1613 WeakPolarHBondContact O-CG2 3.39Å; C1564-V1613 PolarHBondContact O-N 2.94Å; C1564-V1613 VanDerWaalsContact O-O 3.14Å |
| 1565 | R | 91.8 | Very high | 81.8 | Confident | 45 Ų | 45 | 56 Ų | 56 | 17% | 0.17 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 145.1 | 177.7 | -57.3 | -172.2 | -65.1 | 175.6 | 6 | 109.9 | D1501 Y1502 E1503 D1549 L1610 V1611 T1612 | D1501-R1565 IonicContact OD1-NH2 3.52Å; Y1502-R1565 HydrophobicContact CD2-CB 4.26Å; Y1502-R1565 WeakPolarHBondContact CE2-O 3.28Å; E1503-R1565 IonicContact OE1-CZ 2.69Å; E1503-R1565 IonicContact OE1-NH1 3.99Å; E1503-R1565 PolarHBondContact OE1-NH1 3Å; D1549-R1565 IonicContact OD1-CZ 3.11Å; D1549-R1565 VanDerWaalsContact OD1-CZ 3.25Å; D1549-R1565 IonicContact OD1-NE 3.85Å; D1549-R1565 PolarHBondContact OD1-NE 3.46Å; D1549-R1565 IonicContact OD1-NH2 3.58Å; D1549-R1565 PolarHBondContact OD1-NH2 3.01Å; D1549-R1565 IonicContact OD2-CZ 3.81Å; D1549-R1565 IonicContact OD2-NE 3.58Å; D1549-R1565 IonicContact OD2-NH2 3.99Å; D1549-R1565 PolarHBondContact OD2-NH2 2.99Å; R1565-L1610 HydrophobicContact CB-CD1 4.09Å; R1565-V1611 CarbonylContact C-O 3.45Å; R1565-V1611 WeakPolarHBondContact CA-O 3.43Å; R1565-T1612 HydrophobicContact CG-CG2 4.43Å |
| 1566 | G | 90.8 | Very high | 82.6 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 167.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1579 V1611 | G1566-A1579 VanDerWaalsContact CA-O 3.28Å; G1566-A1579 WeakPolarHBondContact CA-O 3.32Å; G1566-V1611 PolarHBondContact N-O 3.44Å; G1566-V1611 WeakPolarHBondContact O-CG2 3.38Å; G1566-V1611 PolarHBondContact O-N 3.45Å |
| 1567 | F | 92.6 | Very high | 83.6 | Confident | 12 Ų | 12 | 49.2 Ų | 49.2 | 5% | 0.053 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 134.7 | -178.5 | -66.9 | -79.9 | 0 | 0 | 0 | 110.9 | L1495 T1496 Y1502 V1505 R1569 V1578 A1579 G1608 S1609 L1610 | L1495-F1567 HydrophobicContact CB-CB 4.39Å; L1495-F1567 HydrophobicContact CB-CD1 4.41Å; L1495-F1567 HydrophobicContact CB-CD2 3.59Å; L1495-F1567 HydrophobicContact CB-CE2 3.89Å; L1495-F1567 HydrophobicContact CB-CG 3.87Å; L1495-F1567 HydrophobicContact CB-CZ 4.41Å; L1495-F1567 HydrophobicContact CD1-CB 3.97Å; L1495-F1567 HydrophobicContact CD1-CD1 3.95Å; L1495-F1567 HydrophobicContact CD1-CD2 4.46Å; L1495-F1567 HydrophobicContact CD1-CG 3.87Å; T1496-F1567 HydrophobicContact CG2-CD2 4.11Å; Y1502-F1567 AromaticContact CD1-CE2 3.86Å; Y1502-F1567 HydrophobicContact CD1-CE2 3.86Å; Y1502-F1567 HydrophobicContact CD1-CZ 4.33Å; Y1502-F1567 HydrophobicContact CD2-CD2 4.41Å; Y1502-F1567 AromaticContact CD2-CE2 3.71Å; Y1502-F1567 HydrophobicContact CD2-CE2 3.71Å; Y1502-F1567 HydrophobicContact CD2-CZ 4.26Å; Y1502-F1567 HydrophobicContact CE1-CE2 4.27Å; Y1502-F1567 HydrophobicContact CE2-CE2 4.14Å; Y1502-F1567 AromaticContact CG-CE2 3.56Å; Y1502-F1567 HydrophobicContact CG-CE2 3.56Å; Y1502-F1567 AromaticContact CG-CZ 3.84Å; Y1502-F1567 HydrophobicContact CG-CZ 3.84Å; V1505-F1567 HydrophobicContact CB-CZ 4.18Å; V1505-F1567 HydrophobicContact CG1-CZ 4.4Å; V1505-F1567 HydrophobicContact CG2-CE2 4.25Å; V1505-F1567 HydrophobicContact CG2-CZ 3.74Å; F1567-R1569 PolarHBondContact O-N 2.9Å; F1567-R1569 VanDerWaalsContact O-N 3.12Å; F1567-V1578 WeakPolarHBondContact O-CA 3.22Å; F1567-A1579 PolarHBondContact N-O 3.34Å; F1567-A1579 PolarHBondContact O-N 2.8Å; F1567-G1608 WeakPolarHBondContact CD1-O 3.43Å; F1567-S1609 WeakPolarHBondContact CA-O 3.29Å; F1567-L1610 HydrophobicContact CD1-CB 4.21Å; F1567-L1610 HydrophobicContact CD1-CD1 4.19Å; F1567-L1610 HydrophobicContact CE1-CB 3.93Å; F1567-L1610 HydrophobicContact CE1-CD1 3.84Å; F1567-L1610 HydrophobicContact CE1-CG 4.41Å; F1567-L1610 HydrophobicContact CE2-CD1 4.32Å; F1567-L1610 HydrophobicContact CZ-CD1 3.91Å |
| 1568 | I | 89.7 | Confident | 84.5 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 115.6 | 172.4 | -60 | -177.9 | 0 | 0 | 0 | 108.4 | V1571 L1576 H1577 F1605 P1607 G1608 S1609 V1611 | I1568-V1571 HydrophobicContact CG2-CG2 3.46Å; I1568-V1571 VanDerWaalsContact CG2-CG2 3.46Å; I1568-L1576 HydrophobicContact CD1-CD1 4.43Å; I1568-L1576 HydrophobicContact CD1-CD2 4.5Å; I1568-H1577 CarbonylContact C-O 3.46Å; I1568-F1605 HydrophobicContact CD1-CB 3.69Å; I1568-F1605 HydrophobicContact CD1-CD1 3.71Å; I1568-F1605 HydrophobicContact CD1-CG 3.9Å; I1568-P1607 CarbonylContact O-C 3.53Å; I1568-P1607 WeakPolarHBondContact O-CA 3.44Å; I1568-G1608 PolarHBondContact O-N 2.81Å; I1568-S1609 PolarHBondContact N-O 3.15Å; I1568-V1611 HydrophobicContact CD1-CG1 3.71Å; I1568-V1611 HydrophobicContact CG1-CG1 3.87Å; I1568-V1611 HydrophobicContact CG1-CG2 3.92Å |
| 1569 | R | 84.9 | Confident | 85.1 | Confident | 145 Ų | 145 | 46.3 Ų | 46.3 | 55% | 0.547 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -41.2 | 178.5 | 175.4 | 179.9 | 164.6 | -177.7 | -7.5 | 111.8 | F1567 H1577 A1579 F1585 | F1567-R1569 PolarHBondContact O-N 2.9Å; F1567-R1569 VanDerWaalsContact O-N 3.12Å; R1569-H1577 PolarHBondContact N-O 3.22Å; R1569-A1579 HydrophobicContact CB-CB 4.4Å; R1569-F1585 VanDerWaalsContact NH1-CE1 3.3Å |
| 1570 | D | 85.1 | Confident | 85.6 | Confident | 81 Ų | 81 | 42.7 Ų | 42.7 | 43% | 0.433 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 152.1 | -175.7 | -161.3 | 8.4 | 0 | 0 | 0 | 110.1 | H1577 | D1570-H1577 HydrophobicContact CB-CB 4.12Å; D1570-H1577 PolarHBondContact N-O 3.14Å; D1570-H1577 PolarHBondContact O-N 3.2Å |
| 1571 | V | 82.6 | Confident | 85.9 | Confident | 20 Ų | 20 | 39.2 Ų | 39.2 | 12% | 0.121 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 111 | -177.5 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | I1568 L1576 L1601 S1602 F1605 P1607 | I1568-V1571 HydrophobicContact CG2-CG2 3.46Å; I1568-V1571 VanDerWaalsContact CG2-CG2 3.46Å; V1571-L1576 HydrophobicContact CB-CD2 4.22Å; V1571-L1576 HydrophobicContact CG1-CD2 3.67Å; V1571-L1576 HydrophobicContact CG2-CD2 3.77Å; V1571-L1601 HydrophobicContact CG1-CB 3.89Å; V1571-S1602 VanDerWaalsContact CG1-CA 3.49Å; V1571-F1605 HydrophobicContact CG2-CB 4.36Å; V1571-P1607 HydrophobicContact CG2-CG 4.44Å |
| 1572 | T | 81.4 | Confident | 85.9 | Confident | 43 Ų | 43 | 38.4 Ų | 38.4 | 26% | 0.264 | 21% | 0.205 | S | C | . | . | trans | -92.3 | 169.3 | 171.3 | 66.5 | 0 | 0 | 0 | 0 | 109.8 | T1574 Q1575 | T1572-T1574 PolarHBondContact O-N 2.92Å; T1572-T1574 VanDerWaalsContact O-N 3.14Å; T1572-Q1575 PolarHBondContact N-O 3.31Å; T1572-Q1575 WeakPolarHBondContact OG1-CA 3.26Å; T1572-Q1575 WeakPolarHBondContact OG1-CB 3.43Å; T1572-Q1575 PolarHBondContact OG1-N 3.32Å; T1572-Q1575 PolarHBondContact OG1-O 3.11Å | ||
| 1573 | S | 76.6 | Confident | 85.5 | Confident | 92 Ų | 92 | 40.9 Ų | 40.9 | 64% | 0.643 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -61 | -20.8 | 176.8 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1574 | T | 76.4 | Confident | 85.3 | Confident | 79 Ų | 79 | 38.1 Ų | 38.1 | 49% | 0.485 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -124.1 | -14.3 | -173.4 | 56.8 | 0 | 0 | 0 | 0 | 114.8 | T1572 L1590 | T1572-T1574 PolarHBondContact O-N 2.92Å; T1572-T1574 VanDerWaalsContact O-N 3.14Å; T1574-L1590 PolarHBondContact O-N 2.9Å |
| 1575 | Q | 83 | Confident | 85.2 | Confident | 64 Ų | 64 | 39.2 Ų | 39.2 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 142.5 | -174.8 | -56.7 | -177.5 | -10.9 | 0 | 0 | 112.6 | T1572 V1588 T1589 | T1572-Q1575 PolarHBondContact N-O 3.31Å; T1572-Q1575 WeakPolarHBondContact OG1-CA 3.26Å; T1572-Q1575 WeakPolarHBondContact OG1-CB 3.43Å; T1572-Q1575 PolarHBondContact OG1-N 3.32Å; T1572-Q1575 PolarHBondContact OG1-O 3.11Å; Q1575-V1588 CarbonylContact C-O 3.6Å; Q1575-V1588 VanDerWaalsContact CA-O 3.28Å; Q1575-V1588 WeakPolarHBondContact CA-O 3.39Å; Q1575-T1589 HydrophobicContact CG-CG2 4.33Å |
| 1576 | L | 87.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 130 | 167 | -59.7 | 176.2 | 0 | 0 | 0 | 109.8 | I1568 V1571 F1587 V1588 T1593 L1601 F1605 M1638 | I1568-L1576 HydrophobicContact CD1-CD1 4.43Å; I1568-L1576 HydrophobicContact CD1-CD2 4.5Å; V1571-L1576 HydrophobicContact CB-CD2 4.22Å; V1571-L1576 HydrophobicContact CG1-CD2 3.67Å; V1571-L1576 HydrophobicContact CG2-CD2 3.77Å; L1576-F1587 CarbonylContact O-C 3.44Å; L1576-F1587 VanDerWaalsContact O-CA 3.23Å; L1576-F1587 WeakPolarHBondContact O-CA 3.49Å; L1576-V1588 HydrophobicContact CB-CB 4.27Å; L1576-V1588 PolarHBondContact N-O 3.24Å; L1576-V1588 PolarHBondContact O-N 3.33Å; L1576-T1593 HydrophobicContact CD1-CG2 3.62Å; L1576-T1593 HydrophobicContact CG-CG2 3.97Å; L1576-L1601 HydrophobicContact CD2-CB 4.29Å; L1576-L1601 HydrophobicContact CD2-CD2 4.44Å; L1576-L1601 HydrophobicContact CG-CD1 4.43Å; L1576-L1601 HydrophobicContact CG-CD2 4.44Å; L1576-F1605 HydrophobicContact CD1-CD2 3.78Å; L1576-F1605 HydrophobicContact CD1-CE2 3.94Å; L1576-F1605 HydrophobicContact CD1-CG 4.15Å; L1576-F1605 HydrophobicContact CD1-CZ 4.45Å; L1576-F1605 HydrophobicContact CD2-CB 3.95Å; L1576-F1605 HydrophobicContact CD2-CD2 3.95Å; L1576-F1605 HydrophobicContact CD2-CG 4.15Å; L1576-F1605 HydrophobicContact CG-CD2 4.46Å; L1576-M1638 HydrophobicContact CD1-SD 3.64Å |
| 1577 | H | 89.9 | Confident | 84.9 | Confident | 33 Ų | 33 | 39.6 Ų | 39.6 | 15% | 0.153 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.3 | 173.1 | -64 | 173.2 | 0 | 0 | 0 | 109.6 | I1568 R1569 D1570 G1586 | I1568-H1577 CarbonylContact C-O 3.46Å; R1569-H1577 PolarHBondContact N-O 3.22Å; D1570-H1577 HydrophobicContact CB-CB 4.12Å; D1570-H1577 PolarHBondContact N-O 3.14Å; D1570-H1577 PolarHBondContact O-N 3.2Å; H1577-G1586 CarbonylContact C-O 3.56Å; H1577-G1586 WeakPolarHBondContact CA-O 3.47Å |
| 1578 | V | 90.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 131.3 | -174.8 | -174.3 | 0 | 0 | 0 | 0 | 110.2 | F1567 L1580 F1585 G1586 V1588 V1611 V1613 L1636 | F1567-V1578 WeakPolarHBondContact O-CA 3.22Å; V1578-L1580 HydrophobicContact CG1-CD2 4.13Å; V1578-F1585 CarbonylContact O-C 3.58Å; V1578-F1585 WeakPolarHBondContact O-CA 3.21Å; V1578-G1586 PolarHBondContact N-O 2.96Å; V1578-G1586 PolarHBondContact O-N 2.82Å; V1578-V1588 HydrophobicContact CG2-CG2 4.28Å; V1578-V1611 HydrophobicContact CG1-CG2 3.83Å; V1578-V1611 HydrophobicContact CG2-CG2 3.9Å; V1578-V1613 HydrophobicContact CG1-CG2 4.45Å; V1578-V1613 HydrophobicContact CG2-CG1 4.35Å; V1578-L1636 HydrophobicContact CB-CD1 3.99Å; V1578-L1636 HydrophobicContact CG2-CD1 4.43Å |
| 1579 | A | 90.5 | Very high | 84.5 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 11% | 0.107 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 119.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | G1566 F1567 R1569 F1585 | G1566-A1579 VanDerWaalsContact CA-O 3.28Å; G1566-A1579 WeakPolarHBondContact CA-O 3.32Å; F1567-A1579 PolarHBondContact N-O 3.34Å; F1567-A1579 PolarHBondContact O-N 2.8Å; R1569-A1579 HydrophobicContact CB-CB 4.4Å; A1579-F1585 HydrophobicContact CB-CD1 3.88Å; A1579-F1585 HydrophobicContact CB-CE1 3.96Å |
| 1580 | L | 87 | Confident | 84.2 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -17.9 | 177.4 | -57.2 | -179.7 | 0 | 0 | 0 | 112.3 | I1552 L1558 V1578 I1584 V1613 L1636 | I1552-L1580 HydrophobicContact CD1-CB 4.18Å; L1558-L1580 HydrophobicContact CD1-CD1 3.97Å; V1578-L1580 HydrophobicContact CG1-CD2 4.13Å; L1580-I1584 HydrophobicContact CB-CB 4.5Å; L1580-I1584 HydrophobicContact CB-CG2 4.17Å; L1580-I1584 HydrophobicContact CD1-CG2 4.43Å; L1580-I1584 PolarHBondContact N-O 2.76Å; L1580-V1613 HydrophobicContact CD2-CG2 3.79Å; L1580-L1636 HydrophobicContact CD1-CD1 4.48Å; L1580-L1636 HydrophobicContact CD1-CD2 4.31Å |
| 1581 | G | 83.8 | Confident | 83.9 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.7 | -179.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | N1583 I1584 | G1581-N1583 PolarHBondContact O-N 3.02Å; G1581-I1584 PolarHBondContact N-O 3.24Å; G1581-I1584 PolarHBondContact O-N 2.88Å |
| 1582 | Y | 77.7 | Confident | 84 | Confident | 42 Ų | 42 | 44 Ų | 44 | 17% | 0.165 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -20 | -174.3 | 66.1 | -97.7 | 0 | 0 | 0 | 114.8 | D1497 L1524 V1532 | D1497-Y1582 WeakPolarHBondContact OD2-CB 3.35Å; L1524-Y1582 HydrophobicContact CB-CE2 4.42Å; L1524-Y1582 HydrophobicContact CD2-CD2 4.24Å; L1524-Y1582 HydrophobicContact CD2-CE2 3.89Å; V1532-Y1582 HydrophobicContact CG1-CG 4.32Å |
| 1583 | N | 76.4 | Confident | 84.1 | Confident | 98 Ų | 98 | 42 Ų | 42 | 52% | 0.524 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -142.2 | 19.9 | 177.9 | -156.6 | 42.3 | 0 | 0 | 0 | 113.7 | G1581 | G1581-N1583 PolarHBondContact O-N 3.02Š|
| 1584 | I | 83.2 | Confident | 84.5 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 5% | 0.051 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 117.3 | -179.9 | -58.1 | 176.2 | 0 | 0 | 0 | 108.1 | I1552 S1554 T1555 L1558 L1580 G1581 I1634 | I1552-I1584 HydrophobicContact CB-CD1 4.3Å; I1552-I1584 HydrophobicContact CG2-CD1 3.52Å; I1552-I1584 WeakPolarHBondContact O-CD1 3.48Å; S1554-I1584 VanDerWaalsContact C-CD1 3.44Å; T1555-I1584 HydrophobicContact CG2-CG2 4.4Å; L1558-I1584 HydrophobicContact CD1-CG2 4.15Å; L1580-I1584 HydrophobicContact CB-CB 4.5Å; L1580-I1584 HydrophobicContact CB-CG2 4.17Å; L1580-I1584 HydrophobicContact CD1-CG2 4.43Å; L1580-I1584 PolarHBondContact N-O 2.76Å; G1581-I1584 PolarHBondContact N-O 3.24Å; G1581-I1584 PolarHBondContact O-N 2.88Å; I1584-I1634 HydrophobicContact CG2-CD1 3.84Å |
| 1585 | F | 86.4 | Confident | 84.7 | Confident | 41 Ų | 41 | 36.8 Ų | 36.8 | 18% | 0.18 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 140.8 | -173.1 | -50.8 | -71.7 | 0 | 0 | 0 | 109.3 | R1569 V1578 A1579 M1633 I1634 | R1569-F1585 VanDerWaalsContact NH1-CE1 3.3Å; V1578-F1585 CarbonylContact O-C 3.58Å; V1578-F1585 WeakPolarHBondContact O-CA 3.21Å; A1579-F1585 HydrophobicContact CB-CD1 3.88Å; A1579-F1585 HydrophobicContact CB-CE1 3.96Å; F1585-M1633 WeakPolarHBondContact O-CA 3.13Å; F1585-I1634 PolarHBondContact O-N 3.3Å |
| 1586 | G | 87.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 169.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | H1577 V1578 I1634 | H1577-G1586 CarbonylContact C-O 3.56Å; H1577-G1586 WeakPolarHBondContact CA-O 3.47Å; V1578-G1586 PolarHBondContact N-O 2.96Å; V1578-G1586 PolarHBondContact O-N 2.82Å; G1586-I1634 CarbonylContact C-O 3.59Å; G1586-I1634 WeakPolarHBondContact CA-O 3.36Å |
| 1587 | F | 90.5 | Very high | 83.8 | Confident | 52 Ų | 52 | 44.8 Ų | 44.8 | 23% | 0.228 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 142.2 | 179.1 | 69.9 | -83 | 0 | 0 | 0 | 111 | L1576 T1589 M1633 I1634 P1635 L1636 | L1576-F1587 CarbonylContact O-C 3.44Å; L1576-F1587 VanDerWaalsContact O-CA 3.23Å; L1576-F1587 WeakPolarHBondContact O-CA 3.49Å; F1587-T1589 HydrophobicContact CD2-CG2 4.06Å; F1587-T1589 HydrophobicContact CE2-CG2 3.93Å; F1587-M1633 HydrophobicContact CD1-CB 3.69Å; F1587-M1633 HydrophobicContact CE1-CB 4.3Å; F1587-I1634 PolarHBondContact N-O 3.18Å; F1587-P1635 HydrophobicContact CE1-CB 3.98Å; F1587-P1635 HydrophobicContact CE2-CB 4.41Å; F1587-P1635 HydrophobicContact CZ-CB 3.78Å; F1587-L1636 PolarHBondContact O-N 3.48Å |
| 1588 | V | 89.1 | Confident | 83 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 119.6 | 172.9 | -172.1 | 0 | 0 | 0 | 0 | 107.1 | Q1575 L1576 V1578 R1592 T1593 V1613 L1636 M1638 | Q1575-V1588 CarbonylContact C-O 3.6Å; Q1575-V1588 VanDerWaalsContact CA-O 3.28Å; Q1575-V1588 WeakPolarHBondContact CA-O 3.39Å; L1576-V1588 HydrophobicContact CB-CB 4.27Å; L1576-V1588 PolarHBondContact N-O 3.24Å; L1576-V1588 PolarHBondContact O-N 3.33Å; V1578-V1588 HydrophobicContact CG2-CG2 4.28Å; V1588-R1592 HydrophobicContact CG1-CB 4.05Å; V1588-R1592 VanDerWaalsContact CG1-O 3.31Å; V1588-R1592 WeakPolarHBondContact CG1-O 3.47Å; V1588-T1593 HydrophobicContact CB-CG2 4.24Å; V1588-T1593 HydrophobicContact CG1-CG2 3.64Å; V1588-V1613 HydrophobicContact CG2-CG1 4.11Å; V1588-L1636 HydrophobicContact CG2-CB 3.69Å; V1588-M1638 HydrophobicContact CG1-CB 4.35Å; V1588-M1638 HydrophobicContact CG1-CG 4.07Å; V1588-M1638 HydrophobicContact CG1-SD 4.36Å; V1588-M1638 HydrophobicContact CG2-CG 4.02Å; V1588-M1638 HydrophobicContact CG2-SD 4.26Å |
| 1589 | T | 84.2 | Confident | 82 | Confident | 38 Ų | 38 | 51.5 Ų | 51.5 | 23% | 0.233 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 154.3 | 175.6 | 52.3 | 0 | 0 | 0 | 0 | 111 | Q1575 F1587 E1591 R1592 T1593 | Q1575-T1589 HydrophobicContact CG-CG2 4.33Å; F1587-T1589 HydrophobicContact CD2-CG2 4.06Å; F1587-T1589 HydrophobicContact CE2-CG2 3.93Å; T1589-E1591 PolarHBondContact O-N 3.02Å; T1589-E1591 VanDerWaalsContact O-N 3.13Å; T1589-R1592 CarbonylContact O-C 3.57Å; T1589-R1592 WeakPolarHBondContact O-CA 3.41Å; T1589-R1592 PolarHBondContact O-N 2.96Å; T1589-T1593 PolarHBondContact O-N 2.62Å; T1589-T1593 VanDerWaalsContact O-N 3.17Å |
| 1590 | L | 79.6 | Confident | 81.3 | Confident | 65 Ų | 65 | 52.1 Ų | 52.1 | 34% | 0.34 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -45.9 | -45.5 | 179.1 | -175.6 | 69.2 | 0 | 0 | 0 | 113 | T1574 R1592 T1593 T1598 L1601 | T1574-L1590 PolarHBondContact O-N 2.9Å; L1590-R1592 PolarHBondContact O-N 2.79Å; L1590-T1593 PolarHBondContact O-N 3.34Å; L1590-T1593 VanDerWaalsContact O-N 3.14Å; L1590-T1593 PolarHBondContact O-OG1 3.03Å; L1590-T1598 HydrophobicContact CD1-CG2 4.15Å; L1590-L1601 HydrophobicContact CB-CD1 4.36Å; L1590-L1601 HydrophobicContact CD1-CD1 3.69Å; L1590-L1601 HydrophobicContact CD1-CD2 3.89Å; L1590-L1601 HydrophobicContact CD1-CG 3.58Å |
| 1591 | E | 77.5 | Confident | 80.9 | Confident | 153 Ų | 153 | 52.1 Ų | 52.1 | 72% | 0.715 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -64 | -21.7 | 179.5 | -63.6 | 168.5 | -168.4 | 0 | 0 | 114 | T1589 | T1589-E1591 PolarHBondContact O-N 3.02Å; T1589-E1591 VanDerWaalsContact O-N 3.13Å |
| 1592 | R | 85.1 | Confident | 80.6 | Confident | 95 Ų | 95 | 55.1 Ų | 55.1 | 36% | 0.358 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -106.3 | 6.8 | 179.3 | -65.8 | -171.3 | 173.5 | -165.8 | -5.4 | 113.2 | V1588 T1589 L1590 M1616 M1638 L1639 | V1588-R1592 HydrophobicContact CG1-CB 4.05Å; V1588-R1592 VanDerWaalsContact CG1-O 3.31Å; V1588-R1592 WeakPolarHBondContact CG1-O 3.47Å; T1589-R1592 CarbonylContact O-C 3.57Å; T1589-R1592 WeakPolarHBondContact O-CA 3.41Å; T1589-R1592 PolarHBondContact O-N 2.96Å; L1590-R1592 PolarHBondContact O-N 2.79Å; R1592-M1616 VanDerWaalsContact NH1-CG 3.29Å; R1592-M1638 PolarHBondContact O-N 3.13Å; R1592-L1639 HydrophobicContact CG-CD1 4.5Å; R1592-L1639 PolarHBondContact O-N 3.28Å |
| 1593 | T | 84.6 | Confident | 80.7 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -39.6 | 176.7 | 52.6 | 0 | 0 | 0 | 0 | 113 | L1576 V1588 T1589 L1590 L1601 | L1576-T1593 HydrophobicContact CD1-CG2 3.62Å; L1576-T1593 HydrophobicContact CG-CG2 3.97Å; V1588-T1593 HydrophobicContact CB-CG2 4.24Å; V1588-T1593 HydrophobicContact CG1-CG2 3.64Å; T1589-T1593 PolarHBondContact O-N 2.62Å; T1589-T1593 VanDerWaalsContact O-N 3.17Å; L1590-T1593 PolarHBondContact O-N 3.34Å; L1590-T1593 VanDerWaalsContact O-N 3.14Å; L1590-T1593 PolarHBondContact O-OG1 3.03Å; T1593-L1601 HydrophobicContact CG2-CD1 4.43Å; T1593-L1601 HydrophobicContact CG2-CD2 3.89Å |
| 1594 | S | 83.5 | Confident | 80.8 | Confident | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.028 | 26% | 0.263 | C | S | . | . | trans | -161.9 | 157.1 | -175.8 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | Y1596 D1647 L1649 | S1594-Y1596 PolarHBondContact OG-N 3.02Å; S1594-D1647 WeakPolarHBondContact CA-OD2 3.33Å; S1594-D1647 WeakPolarHBondContact CB-OD1 3.19Å; S1594-D1647 WeakPolarHBondContact CB-OD2 3.42Å; S1594-D1647 PolarHBondContact OG-OD1 2.86Å; S1594-D1647 VanDerWaalsContact OG-OD1 3.07Å; S1594-D1647 PolarHBondContact OG-OD2 3.48Å; S1594-L1649 WeakPolarHBondContact OG-CD2 3.24Å | ||
| 1595 | V | 81.3 | Confident | 80.9 | Confident | 58 Ų | 58 | 55.1 Ų | 55.1 | 35% | 0.352 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -76.1 | -11.6 | 167.8 | -72.7 | 0 | 0 | 0 | 0 | 112.5 | L1639 D1647 M1658 | V1595-L1639 HydrophobicContact CG1-CD2 4.32Å; V1595-D1647 WeakPolarHBondContact CG2-OD2 3.38Å; V1595-D1647 PolarHBondContact N-OD2 2.99Å; V1595-D1647 VanDerWaalsContact N-OD2 3.16Å; V1595-M1658 PolarHBondContact O-N 2.87Å |
| 1596 | Y | 79.2 | Confident | 80.7 | Confident | 67 Ų | 67 | 59.7 Ų | 59.7 | 26% | 0.263 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 139.6 | 177.3 | -58.9 | -82.8 | 0 | 0 | 0 | 111.5 | S1594 R1654 Q1657 | S1594-Y1596 PolarHBondContact OG-N 3.02Å; Y1596-R1654 HydrophobicContact CD1-CB 4.19Å; Y1596-R1654 HydrophobicContact CD2-CB 4.44Å; Y1596-R1654 HydrophobicContact CD2-CG 3.96Å; Y1596-R1654 HydrophobicContact CG-CB 3.93Å; Y1596-R1654 HydrophobicContact CG-CG 3.93Å; Y1596-Q1657 HydrophobicContact CD1-CB 3.93Å; Y1596-Q1657 HydrophobicContact CD1-CG 4.09Å; Y1596-Q1657 HydrophobicContact CE1-CB 3.94Å; Y1596-Q1657 HydrophobicContact CE1-CG 3.88Å |
| 1597 | R | 73 | Confident | 80.7 | Confident | 164 Ų | 164 | 62.3 Ų | 62.3 | 62% | 0.619 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 132.7 | 171.3 | -161.9 | 173 | -178.4 | 169.2 | 0.5 | 109.1 | C1655 K1656 M1658 | R1597-C1655 VanDerWaalsContact O-CB 3.26Å; R1597-C1655 WeakPolarHBondContact O-CB 3.31Å; R1597-C1655 PolarHBondContact O-N 3.29Å; R1597-K1656 VanDerWaalsContact CB-O 3.31Å; R1597-K1656 WeakPolarHBondContact CB-O 3.13Å; R1597-K1656 PolarHBondContact N-O 3.12Å; R1597-M1658 HydrophobicContact CB-CG 3.57Å; R1597-M1658 HydrophobicContact CB-SD 3.85Å; R1597-M1658 HydrophobicContact CG-CG 4.21Å; R1597-M1658 HydrophobicContact CG-SD 3.99Å |
| 1598 | T | 72.1 | Confident | 80.4 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 8% | 0.08 | 30% | 0.301 | C | S | . | . | trans | -116.7 | 143.1 | 168.7 | -167.9 | 0 | 0 | 0 | 0 | 110.1 | L1590 S1600 L1601 L1649 F1653 | L1590-T1598 HydrophobicContact CD1-CG2 4.15Å; T1598-S1600 VanDerWaalsContact C-N 3.25Å; T1598-S1600 PolarHBondContact O-N 3.43Å; T1598-L1601 HydrophobicContact CG2-CD2 4.03Å; T1598-L1601 HydrophobicContact CG2-CG 4.4Å; T1598-L1649 HydrophobicContact CG2-CD1 4.46Å; T1598-F1653 PolarHBondContact OG1-O 3Å | ||
| 1599 | E | 70.8 | Confident | 80.3 | Confident | 162 Ų | 162 | 62.9 Ų | 62.9 | 76% | 0.757 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -65.9 | -29 | 178.1 | -70.9 | -174.7 | 169.8 | 0 | 0 | 112.6 | ||
| 1600 | S | 75 | Confident | 80.5 | Confident | 25 Ų | 25 | 64 Ų | 64 | 18% | 0.175 | 32% | 0.319 | C | S | . | . | trans | -163.9 | 116.6 | -175.5 | -174.2 | 0 | 0 | 0 | 0 | 111.9 | T1598 S1602 K1603 A1604 | T1598-S1600 VanDerWaalsContact C-N 3.25Å; T1598-S1600 PolarHBondContact O-N 3.43Å; S1600-S1602 PolarHBondContact O-N 3.01Å; S1600-S1602 PolarHBondContact OG-OG 3.44Å; S1600-K1603 PolarHBondContact O-N 3.11Å; S1600-K1603 VanDerWaalsContact O-N 3.1Å; S1600-A1604 PolarHBondContact O-N 3.35Å | ||
| 1601 | L | 78.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.8 | -34.8 | 174.2 | -74 | 173.3 | 0 | 0 | 0 | 112.3 | V1571 L1576 L1590 T1593 T1598 K1603 A1604 F1605 | V1571-L1601 HydrophobicContact CG1-CB 3.89Å; L1576-L1601 HydrophobicContact CD2-CB 4.29Å; L1576-L1601 HydrophobicContact CD2-CD2 4.44Å; L1576-L1601 HydrophobicContact CG-CD1 4.43Å; L1576-L1601 HydrophobicContact CG-CD2 4.44Å; L1590-L1601 HydrophobicContact CB-CD1 4.36Å; L1590-L1601 HydrophobicContact CD1-CD1 3.69Å; L1590-L1601 HydrophobicContact CD1-CD2 3.89Å; L1590-L1601 HydrophobicContact CD1-CG 3.58Å; T1593-L1601 HydrophobicContact CG2-CD1 4.43Å; T1593-L1601 HydrophobicContact CG2-CD2 3.89Å; T1598-L1601 HydrophobicContact CG2-CD2 4.03Å; T1598-L1601 HydrophobicContact CG2-CG 4.4Å; L1601-K1603 VanDerWaalsContact C-N 3.25Å; L1601-K1603 PolarHBondContact O-N 3.31Å; L1601-A1604 PolarHBondContact O-N 3.29Å; L1601-F1605 HydrophobicContact CD2-CD2 4.12Å; L1601-F1605 HydrophobicContact CD2-CE2 4.19Å; L1601-F1605 PolarHBondContact O-N 2.75Å |
| 1602 | S | 78 | Confident | 81.7 | Confident | 69 Ų | 69 | 55.1 Ų | 55.1 | 48% | 0.483 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70.8 | -18.6 | 179.6 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | V1571 S1600 | V1571-S1602 VanDerWaalsContact CG1-CA 3.49Å; S1600-S1602 PolarHBondContact O-N 3.01Å; S1600-S1602 PolarHBondContact OG-OG 3.44Å |
| 1603 | K | 78.8 | Confident | 82.1 | Confident | 126 Ų | 126 | 50.6 Ų | 50.6 | 55% | 0.548 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -83 | -38.4 | 169.5 | -67.7 | -176.7 | -176.9 | 176.3 | 0 | 111.7 | S1600 L1601 F1653 | S1600-K1603 PolarHBondContact O-N 3.11Å; S1600-K1603 VanDerWaalsContact O-N 3.1Å; L1601-K1603 VanDerWaalsContact C-N 3.25Å; L1601-K1603 PolarHBondContact O-N 3.31Å; K1603-F1653 HydrophobicContact CB-CD1 4.42Å; K1603-F1653 HydrophobicContact CB-CE1 3.91Å; K1603-F1653 WeakPolarHBondContact O-CZ 3.21Å |
| 1604 | A | 80 | Confident | 82.3 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -78.5 | -37.7 | -174 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1600 L1601 L1649 F1653 | S1600-A1604 PolarHBondContact O-N 3.35Å; L1601-A1604 PolarHBondContact O-N 3.29Å; A1604-L1649 HydrophobicContact CB-CD1 3.63Å; A1604-F1653 HydrophobicContact CB-CB 3.95Å; A1604-F1653 HydrophobicContact CB-CD1 4.31Å; A1604-F1653 HydrophobicContact CB-CD2 4.01Å; A1604-F1653 HydrophobicContact CB-CG 3.83Å |
| 1605 | F | 85.4 | Confident | 82.5 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 5% | 0.053 | 26% | 0.261 | C | S | . | . | trans | -120.2 | 135.9 | -177.1 | -65.6 | -75.8 | 0 | 0 | 0 | 111 | I1568 V1571 L1576 L1601 M1638 L1649 | I1568-F1605 HydrophobicContact CD1-CB 3.69Å; I1568-F1605 HydrophobicContact CD1-CD1 3.71Å; I1568-F1605 HydrophobicContact CD1-CG 3.9Å; V1571-F1605 HydrophobicContact CG2-CB 4.36Å; L1576-F1605 HydrophobicContact CD1-CD2 3.78Å; L1576-F1605 HydrophobicContact CD1-CE2 3.94Å; L1576-F1605 HydrophobicContact CD1-CG 4.15Å; L1576-F1605 HydrophobicContact CD1-CZ 4.45Å; L1576-F1605 HydrophobicContact CD2-CB 3.95Å; L1576-F1605 HydrophobicContact CD2-CD2 3.95Å; L1576-F1605 HydrophobicContact CD2-CG 4.15Å; L1576-F1605 HydrophobicContact CG-CD2 4.46Å; L1601-F1605 HydrophobicContact CD2-CD2 4.12Å; L1601-F1605 HydrophobicContact CD2-CE2 4.19Å; L1601-F1605 PolarHBondContact O-N 2.75Å; F1605-M1638 HydrophobicContact CE1-CE 4.02Å; F1605-M1638 HydrophobicContact CZ-CE 3.92Å; F1605-L1649 HydrophobicContact CE2-CD1 3.71Å; F1605-L1649 HydrophobicContact CZ-CB 4.49Å; F1605-L1649 HydrophobicContact CZ-CD1 4.06Å | ||
| 1606 | Q | 81.8 | Confident | 82.6 | Confident | 137 Ų | 137 | 50.2 Ų | 50.2 | 64% | 0.64 | 26% | 0.256 | S | S | * | . | trans | -107.1 | 141.8 | 174.7 | -63.7 | -165.2 | -1.8 | 0 | 0 | 111.2 | G1608 S1609 | Q1606-G1608 PolarHBondContact O-N 2.85Å; Q1606-S1609 WeakPolarHBondContact O-CB 3.31Å; Q1606-S1609 PolarHBondContact O-N 3.1Å; Q1606-S1609 VanDerWaalsContact O-N 3.12Å; Q1606-S1609 PolarHBondContact O-OG 3.32Å | ||
| 1607 | P | 85.8 | Confident | 82.4 | Confident | 55 Ų | 55 | 53.7 Ų | 53.7 | 36% | 0.357 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 130.9 | 169.3 | -25.8 | 34.7 | 0 | 0 | 0 | 111.6 | T1478 I1568 V1571 | T1478-P1607 WeakPolarHBondContact CB-O 3.36Å; T1478-P1607 WeakPolarHBondContact CG2-O 3.46Å; I1568-P1607 CarbonylContact O-C 3.53Å; I1568-P1607 WeakPolarHBondContact O-CA 3.44Å; V1571-P1607 HydrophobicContact CG2-CG 4.44Å |
| 1608 | G | 84.3 | Confident | 81.7 | Confident | 20 Ų | 20 | 48.1 Ų | 48.1 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 101.2 | -9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | T1478 F1567 I1568 Q1606 | T1478-G1608 WeakPolarHBondContact O-CA 3.29Å; F1567-G1608 WeakPolarHBondContact CD1-O 3.43Å; I1568-G1608 PolarHBondContact O-N 2.81Å; Q1606-G1608 PolarHBondContact O-N 2.85Å |
| 1609 | S | 87.2 | Confident | 80.9 | Confident | 44 Ų | 44 | 52.9 Ų | 52.9 | 31% | 0.308 | 29% | 0.293 | S | S | . | . | trans | -70.2 | 138 | 177.9 | -52 | 0 | 0 | 0 | 0 | 111.4 | F1567 I1568 Q1606 | F1567-S1609 WeakPolarHBondContact CA-O 3.29Å; I1568-S1609 PolarHBondContact N-O 3.15Å; Q1606-S1609 WeakPolarHBondContact O-CB 3.31Å; Q1606-S1609 PolarHBondContact O-N 3.1Å; Q1606-S1609 VanDerWaalsContact O-N 3.12Å; Q1606-S1609 PolarHBondContact O-OG 3.32Å | ||
| 1610 | L | 90.2 | Very high | 79.3 | Confident | 60 Ų | 60 | 48.4 Ų | 48.4 | 31% | 0.314 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 128.2 | 174.6 | -177.4 | 63.1 | 0 | 0 | 0 | 109.5 | Y1502 E1503 R1565 F1567 | Y1502-L1610 HydrophobicContact CD2-CD1 3.97Å; Y1502-L1610 HydrophobicContact CG-CD1 4.35Å; E1503-L1610 HydrophobicContact CG-CD2 4.35Å; R1565-L1610 HydrophobicContact CB-CD1 4.09Å; F1567-L1610 HydrophobicContact CD1-CB 4.21Å; F1567-L1610 HydrophobicContact CD1-CD1 4.19Å; F1567-L1610 HydrophobicContact CE1-CB 3.93Å; F1567-L1610 HydrophobicContact CE1-CD1 3.84Å; F1567-L1610 HydrophobicContact CE1-CG 4.41Å; F1567-L1610 HydrophobicContact CE2-CD1 4.32Å; F1567-L1610 HydrophobicContact CZ-CD1 3.91Å |
| 1611 | V | 90.4 | Very high | 77.4 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.024 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 151.4 | 177.3 | -68.7 | 0 | 0 | 0 | 0 | 110.9 | R1565 G1566 I1568 V1578 V1613 M1638 | R1565-V1611 CarbonylContact C-O 3.45Å; R1565-V1611 WeakPolarHBondContact CA-O 3.43Å; G1566-V1611 PolarHBondContact N-O 3.44Å; G1566-V1611 WeakPolarHBondContact O-CG2 3.38Å; G1566-V1611 PolarHBondContact O-N 3.45Å; I1568-V1611 HydrophobicContact CD1-CG1 3.71Å; I1568-V1611 HydrophobicContact CG1-CG1 3.87Å; I1568-V1611 HydrophobicContact CG1-CG2 3.92Å; V1578-V1611 HydrophobicContact CG1-CG2 3.83Å; V1578-V1611 HydrophobicContact CG2-CG2 3.9Å; V1611-V1613 HydrophobicContact CG2-CG1 4.14Å; V1611-M1638 HydrophobicContact CB-CE 4.11Å; V1611-M1638 HydrophobicContact CB-SD 4.43Å; V1611-M1638 HydrophobicContact CG1-CE 3.76Å; V1611-M1638 HydrophobicContact CG1-SD 4.36Å |
| 1612 | T | 91.4 | Very high | 75.1 | Confident | 28 Ų | 28 | 58 Ų | 58 | 17% | 0.172 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 130.4 | 171.9 | -54.2 | 0 | 0 | 0 | 0 | 109 | V1563 R1565 V1645 Q1648 | V1563-T1612 HydrophobicContact CG1-CG2 3.5Å; R1565-T1612 HydrophobicContact CG-CG2 4.43Å; T1612-V1645 HydrophobicContact CG2-CG2 4.01Å; T1612-Q1648 PolarHBondContact O-NE2 3.3Å |
| 1613 | V | 92.8 | Very high | 72.8 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 144.9 | -172.4 | -71.8 | 0 | 0 | 0 | 0 | 111 | V1563 C1564 V1578 L1580 V1588 V1611 L1636 S1637 M1638 | V1563-V1613 WeakPolarHBondContact CA-O 3.23Å; C1564-V1613 PolarHBondContact N-O 3.02Å; C1564-V1613 WeakPolarHBondContact O-CG2 3.39Å; C1564-V1613 PolarHBondContact O-N 2.94Å; C1564-V1613 VanDerWaalsContact O-O 3.14Å; V1578-V1613 HydrophobicContact CG1-CG2 4.45Å; V1578-V1613 HydrophobicContact CG2-CG1 4.35Å; L1580-V1613 HydrophobicContact CD2-CG2 3.79Å; V1588-V1613 HydrophobicContact CG2-CG1 4.11Å; V1611-V1613 HydrophobicContact CG2-CG1 4.14Å; V1613-L1636 HydrophobicContact CB-CB 4.24Å; V1613-L1636 HydrophobicContact CB-CD1 4.16Å; V1613-L1636 HydrophobicContact CG1-CB 4.49Å; V1613-L1636 HydrophobicContact CG1-CD1 4.34Å; V1613-L1636 HydrophobicContact CG2-CD1 3.95Å; V1613-L1636 HydrophobicContact CG2-CD2 4.47Å; V1613-S1637 WeakPolarHBondContact CA-O 3.34Å; V1613-M1638 HydrophobicContact CG1-CG 3.76Å |
| 1614 | A | 88.3 | Confident | 70.6 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 3% | 0.025 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 133.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V1563 M1616 L1636 S1637 D1642 T1643 | V1563-A1614 HydrophobicContact CG2-CB 4.26Å; A1614-M1616 PolarHBondContact O-N 3.25Å; A1614-L1636 CarbonylContact O-C 3.55Å; A1614-L1636 VanDerWaalsContact O-CA 3.3Å; A1614-L1636 WeakPolarHBondContact O-CA 3.31Å; A1614-S1637 PolarHBondContact N-O 3.27Å; A1614-S1637 PolarHBondContact O-N 3.3Å; A1614-D1642 HydrophobicContact CB-CB 3.99Å; A1614-D1642 WeakPolarHBondContact CB-O 3.4Å; A1614-T1643 HydrophobicContact CB-CG2 4.08Å |
| 1615 | V | 88.8 | Confident | 68.2 | Low | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 118.8 | 175.7 | 175.7 | 0 | 0 | 0 | 0 | 109.7 | L1558 P1560 G1561 T1562 T1618 I1634 L1636 | L1558-V1615 HydrophobicContact CB-CG2 4.42Å; L1558-V1615 HydrophobicContact CD1-CG2 4.44Å; L1558-V1615 HydrophobicContact CD2-CG2 4.23Å; P1560-V1615 CarbonylContact C-O 3.53Å; P1560-V1615 WeakPolarHBondContact CA-O 3.37Å; G1561-V1615 PolarHBondContact N-O 3.44Å; T1562-V1615 PolarHBondContact O-N 2.9Å; V1615-T1618 HydrophobicContact CG1-CG2 3.54Å; V1615-I1634 HydrophobicContact CG1-CG2 3.8Å; V1615-L1636 HydrophobicContact CB-CD2 4.44Å; V1615-L1636 HydrophobicContact CG2-CD2 3.95Å |
| 1616 | M | 83.4 | Confident | 65.5 | Low | 53 Ų | 53 | 77.5 Ų | 77.5 | 26% | 0.261 | 46% | 0.464 | S | S | . | . | trans | -90.2 | -38.1 | -173.5 | -60.5 | -61.1 | -68 | 0 | 0 | 112.7 | R1592 A1614 P1635 S1637 D1642 | R1592-M1616 VanDerWaalsContact NH1-CG 3.29Å; A1614-M1616 PolarHBondContact O-N 3.25Å; M1616-P1635 WeakPolarHBondContact CB-O 3.44Å; M1616-P1635 PolarHBondContact N-O 3.04Å; M1616-S1637 VanDerWaalsContact SD-CB 3.54Å; M1616-D1642 HydrophobicContact SD-CB 4.37Å | ||
| 1617 | Q | 74.5 | Confident | 63 | Low | 140 Ų | 140 | 78.4 Ų | 78.4 | 65% | 0.654 | 47% | 0.473 | S | S | * | . | trans | -145.1 | 139.8 | 175.8 | -74.6 | 177.9 | -17.2 | 0 | 0 | 109.7 | I1634 P1635 | Q1617-I1634 WeakPolarHBondContact O-CG2 3.24Å; Q1617-P1635 HydrophobicContact CB-CG 3.85Å | ||
| 1618 | T | 59.3 | Low | 60.5 | Low | 47 Ų | 47 | 82.4 Ų | 82.4 | 29% | 0.288 | 50% | 0.496 | S | S | . | . | trans | -114.6 | 126.4 | 169.2 | 57.7 | 0 | 0 | 0 | 0 | 107.1 | L1558 P1560 V1615 G1620 | L1558-T1618 HydrophobicContact CB-CG2 4.36Å; L1558-T1618 WeakPolarHBondContact O-CG2 3.5Å; P1560-T1618 VanDerWaalsContact CD-OG1 3.27Å; P1560-T1618 WeakPolarHBondContact CD-OG1 3.44Å; P1560-T1618 HydrophobicContact CG-CG2 4.19Å; P1560-T1618 WeakPolarHBondContact CG-OG1 3.37Å; V1615-T1618 HydrophobicContact CG1-CG2 3.54Å; T1618-G1620 PolarHBondContact O-N 2.64Å | ||
| 1619 | S | 53.7 | Low | 58.1 | Low | 113 Ų | 113 | 85.7 Ų | 85.7 | 79% | 0.79 | 51% | 0.506 | S | S | * | . | trans | -62.3 | 98 | -177.8 | 34.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1620 | G | 38.4 | Very low | 55.6 | Low | 69 Ų | 69 | 92.5 Ų | 92.5 | 71% | 0.711 | 53% | 0.53 | S | S | * | . | trans | -82.5 | 114.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T1618 | T1618-G1620 PolarHBondContact O-N 2.64Š| ||
| 1621 | V | 33.6 | Very low | 53.2 | Low | 154 Ų | 154 | 95.7 Ų | 95.7 | 93% | 0.933 | 55% | 0.547 | S | S | * | . | S | Bend | trans | 21.1 | 107.4 | 152.1 | -168 | 0 | 0 | 0 | 0 | 117.2 | ||
| 1622 | G | 32 | Very low | 51.4 | Low | 72 Ų | 72 | 100.4 Ų | 100.4 | 74% | 0.742 | 58% | 0.581 | S | S | * | * | trans | 149.8 | 37.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1623 | L | 28.7 | Very low | 50.4 | Low | 179 Ų | 179 | 101.4 Ų | 101.4 | 94% | 0.937 | 58% | 0.584 | S | S | * | * | trans | -129.9 | 95.6 | 170.9 | -92 | 144.5 | 0 | 0 | 0 | 110.6 | ||||
| 1624 | K | 32.2 | Very low | 50 | Low | 196 Ų | 196 | 102 Ų | 102 | 85% | 0.852 | 59% | 0.587 | S | S | * | * | trans | -66 | 137.7 | 165.5 | -74.1 | 175.5 | 174.2 | 175.5 | 0 | 109 | ||||
| 1625 | S | 30.1 | Very low | 49.9 | Very low | 107 Ų | 107 | 103.2 Ų | 103.2 | 75% | 0.748 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 54.9 | 92.3 | 166.1 | 73.8 | 0 | 0 | 0 | 0 | 117.9 | ||
| 1626 | L | 28.1 | Very low | 50 | Low | 147 Ų | 147 | 103.3 Ų | 103.3 | 77% | 0.77 | 60% | 0.595 | S | S | * | * | S | Bend | -174.4 | 123.4 | 123.9 | -123.2 | 78.2 | 0 | 0 | 0 | 109.2 | |||
| 1627 | D | 29.4 | Very low | 50.3 | Low | 156 Ų | 156 | 100.8 Ų | 100.8 | 83% | 0.834 | 58% | 0.583 | S | S | * | * | trans | 27.2 | 88.8 | 158.7 | -60.2 | -26 | 0 | 0 | 0 | 119.5 | ||||
| 1628 | V | 34.2 | Very low | 51 | Low | 138 Ų | 138 | 94.1 Ų | 94.1 | 84% | 0.836 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 10.2 | -166.5 | 175.6 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1629 | E | 34.5 | Very low | 52.3 | Low | 90 Ų | 90 | 93.3 Ų | 93.3 | 42% | 0.421 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 2.4 | 177.9 | -79.8 | -155.8 | 140.8 | 0 | 0 | 116.1 | S2007 N2009 | E1629-S2007 WeakPolarHBondContact OE2-CB 3.5Å; E1629-S2007 PolarHBondContact OE2-OG 3.22Å; E1629-N2009 VanDerWaalsContact CD-CG 3.47Å; E1629-N2009 WeakPolarHBondContact OE2-CB 3.43Å; E1629-N2009 PolarHBondContact OE2-N 3.29Å; E1629-N2009 PolarHBondContact OE2-ND2 3.37Å; E1629-N2009 VanDerWaalsContact OE2-ND2 3.15Å |
| 1630 | K | 32.9 | Very low | 53.6 | Low | 186 Ų | 186 | 95 Ų | 95 | 81% | 0.809 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -105.1 | 101.9 | 170.6 | -77 | -175.3 | 178.5 | 177 | 0 | 112 | ||
| 1631 | N | 40.8 | Very low | 55.5 | Low | 127 Ų | 127 | 99 Ų | 99 | 68% | 0.679 | 54% | 0.538 | S | S | * | . | trans | 57.8 | 74.4 | 151.5 | -63 | -10.1 | 0 | 0 | 0 | 118 | M1633 | N1631-M1633 HydrophobicContact CB-CG 4.33Å; N1631-M1633 PolarHBondContact O-N 3.48Å | ||
| 1632 | S | 52.4 | Low | 58 | Low | 104 Ų | 104 | 94.2 Ų | 94.2 | 73% | 0.727 | 51% | 0.507 | S | S | * | . | trans | -75 | 60.2 | 153.5 | 54 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1633 | M | 71 | Confident | 60.6 | Low | 49 Ų | 49 | 91.3 Ų | 91.3 | 24% | 0.241 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 131.9 | 172 | -67.9 | -174.4 | 160.1 | 0 | 0 | 109.7 | F1585 F1587 N1631 | F1585-M1633 WeakPolarHBondContact O-CA 3.13Å; F1587-M1633 HydrophobicContact CD1-CB 3.69Å; F1587-M1633 HydrophobicContact CE1-CB 4.3Å; N1631-M1633 HydrophobicContact CB-CG 4.33Å; N1631-M1633 PolarHBondContact O-N 3.48Å |
| 1634 | I | 83.5 | Confident | 63.1 | Low | 12 Ų | 12 | 86.1 Ų | 86.1 | 6% | 0.062 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 128.2 | -178.4 | -58.5 | 174.5 | 0 | 0 | 0 | 109.2 | T1555 L1558 I1584 F1585 G1586 F1587 V1615 Q1617 L1636 | T1555-I1634 HydrophobicContact CG2-CD1 4.13Å; L1558-I1634 HydrophobicContact CD1-CD1 3.74Å; I1584-I1634 HydrophobicContact CG2-CD1 3.84Å; F1585-I1634 PolarHBondContact O-N 3.3Å; G1586-I1634 CarbonylContact C-O 3.59Å; G1586-I1634 WeakPolarHBondContact CA-O 3.36Å; F1587-I1634 PolarHBondContact N-O 3.18Å; V1615-I1634 HydrophobicContact CG1-CG2 3.8Å; Q1617-I1634 WeakPolarHBondContact O-CG2 3.24Å; I1634-L1636 HydrophobicContact CG2-CD2 3.99Å; I1634-L1636 PolarHBondContact O-N 3.45Å |
| 1635 | P | 86.2 | Confident | 65.6 | Low | 29 Ų | 29 | 79.5 Ų | 79.5 | 19% | 0.188 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 128.4 | 172.7 | 27.1 | -31.9 | 0 | 0 | 0 | 110.4 | F1587 M1616 Q1617 | F1587-P1635 HydrophobicContact CE1-CB 3.98Å; F1587-P1635 HydrophobicContact CE2-CB 4.41Å; F1587-P1635 HydrophobicContact CZ-CB 3.78Å; M1616-P1635 WeakPolarHBondContact CB-O 3.44Å; M1616-P1635 PolarHBondContact N-O 3.04Å; Q1617-P1635 HydrophobicContact CB-CG 3.85Å |
| 1636 | L | 91.7 | Very high | 68 | Low | 2 Ų | 2 | 79.4 Ų | 79.4 | 1% | 0.01 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 161 | -176.2 | -59.4 | 176.2 | 0 | 0 | 0 | 110.7 | V1578 L1580 F1587 V1588 V1613 A1614 V1615 I1634 | V1578-L1636 HydrophobicContact CB-CD1 3.99Å; V1578-L1636 HydrophobicContact CG2-CD1 4.43Å; L1580-L1636 HydrophobicContact CD1-CD1 4.48Å; L1580-L1636 HydrophobicContact CD1-CD2 4.31Å; F1587-L1636 PolarHBondContact O-N 3.48Å; V1588-L1636 HydrophobicContact CG2-CB 3.69Å; V1613-L1636 HydrophobicContact CB-CB 4.24Å; V1613-L1636 HydrophobicContact CB-CD1 4.16Å; V1613-L1636 HydrophobicContact CG1-CB 4.49Å; V1613-L1636 HydrophobicContact CG1-CD1 4.34Å; V1613-L1636 HydrophobicContact CG2-CD1 3.95Å; V1613-L1636 HydrophobicContact CG2-CD2 4.47Å; A1614-L1636 CarbonylContact O-C 3.55Å; A1614-L1636 VanDerWaalsContact O-CA 3.3Å; A1614-L1636 WeakPolarHBondContact O-CA 3.31Å; V1615-L1636 HydrophobicContact CB-CD2 4.44Å; V1615-L1636 HydrophobicContact CG2-CD2 3.95Å; I1634-L1636 HydrophobicContact CG2-CD2 3.99Å; I1634-L1636 PolarHBondContact O-N 3.45Å |
| 1637 | S | 88.3 | Confident | 70.6 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 143.8 | 170.4 | -171.5 | 0 | 0 | 0 | 0 | 111.5 | V1613 A1614 M1616 L1639 D1642 T1643 | V1613-S1637 WeakPolarHBondContact CA-O 3.34Å; A1614-S1637 PolarHBondContact N-O 3.27Å; A1614-S1637 PolarHBondContact O-N 3.3Å; M1616-S1637 VanDerWaalsContact SD-CB 3.54Å; S1637-L1639 PolarHBondContact OG-N 3.25Å; S1637-D1642 WeakPolarHBondContact CB-OD2 3.44Å; S1637-D1642 PolarHBondContact OG-OD2 2.78Å; S1637-T1643 WeakPolarHBondContact O-CG2 3.25Å |
| 1638 | M | 91.1 | Very high | 73.4 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 37% | 0.37 | C | S | . | . | trans | -107.9 | -0.4 | 171.6 | -71.7 | 177.3 | 62.2 | 0 | 0 | 112.6 | L1576 V1588 R1592 F1605 V1611 V1613 Q1648 | L1576-M1638 HydrophobicContact CD1-SD 3.64Å; V1588-M1638 HydrophobicContact CG1-CB 4.35Å; V1588-M1638 HydrophobicContact CG1-CG 4.07Å; V1588-M1638 HydrophobicContact CG1-SD 4.36Å; V1588-M1638 HydrophobicContact CG2-CG 4.02Å; V1588-M1638 HydrophobicContact CG2-SD 4.26Å; R1592-M1638 PolarHBondContact O-N 3.13Å; F1605-M1638 HydrophobicContact CE1-CE 4.02Å; F1605-M1638 HydrophobicContact CZ-CE 3.92Å; V1611-M1638 HydrophobicContact CB-CE 4.11Å; V1611-M1638 HydrophobicContact CB-SD 4.43Å; V1611-M1638 HydrophobicContact CG1-CE 3.76Å; V1611-M1638 HydrophobicContact CG1-SD 4.36Å; V1613-M1638 HydrophobicContact CG1-CG 3.76Å; M1638-Q1648 HydrophobicContact CE-CB 3.56Å; M1638-Q1648 HydrophobicContact CE-CG 4.36Å | ||
| 1639 | L | 84.7 | Confident | 75.8 | Confident | 30 Ų | 30 | 61.6 Ų | 61.6 | 16% | 0.157 | 33% | 0.331 | C | S | . | . | trans | -62.5 | 145.4 | -178.7 | -62.5 | 175.4 | 0 | 0 | 0 | 111 | R1592 V1595 S1637 I1641 D1642 T1643 | R1592-L1639 HydrophobicContact CG-CD1 4.5Å; R1592-L1639 PolarHBondContact O-N 3.28Å; V1595-L1639 HydrophobicContact CG1-CD2 4.32Å; S1637-L1639 PolarHBondContact OG-N 3.25Å; L1639-I1641 HydrophobicContact CB-CG2 4.05Å; L1639-I1641 PolarHBondContact O-N 2.84Å; L1639-D1642 PolarHBondContact O-N 2.79Å; L1639-T1643 PolarHBondContact O-N 2.83Å; L1639-T1643 PolarHBondContact O-OG1 2.79Å | ||
| 1640 | R | 81.7 | Confident | 78 | Confident | 149 Ų | 149 | 59.9 Ų | 59.9 | 56% | 0.562 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -56.2 | -37.5 | 177 | -176.9 | -178.6 | -162 | -155.7 | 7.3 | 112.5 | D1642 G1644 V1645 D1646 | R1640-D1642 PolarHBondContact O-N 2.96Å; R1640-G1644 VanDerWaalsContact O-CA 3.29Å; R1640-G1644 WeakPolarHBondContact O-CA 3.44Å; R1640-G1644 PolarHBondContact O-N 3.23Å; R1640-V1645 VanDerWaalsContact CA-O 3.24Å; R1640-V1645 WeakPolarHBondContact CA-O 3.48Å; R1640-V1645 WeakPolarHBondContact CB-O 3.46Å; R1640-V1645 WeakPolarHBondContact CG-O 3.21Å; R1640-D1646 IonicContact CZ-OD1 3.89Å; R1640-D1646 IonicContact NE-OD1 2.99Å; R1640-D1646 PolarHBondContact NE-OD1 2.91Å; R1640-D1646 IonicContact NH2-OD1 3.33Å; R1640-D1646 PolarHBondContact NH2-OD1 2.95Å |
| 1641 | I | 79.2 | Confident | 80.2 | Confident | 153 Ų | 153 | 58.3 Ų | 58.3 | 79% | 0.785 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.5 | -28.8 | 178.8 | -160.6 | 164.1 | 0 | 0 | 0 | 112.8 | L1639 | L1639-I1641 HydrophobicContact CB-CG2 4.05Å; L1639-I1641 PolarHBondContact O-N 2.84Å |
| 1642 | D | 85.9 | Confident | 82.1 | Confident | 52 Ų | 52 | 57.1 Ų | 57.1 | 28% | 0.278 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -96.2 | -35.4 | -177.3 | -61.9 | -45.4 | 0 | 0 | 0 | 112.5 | A1614 M1616 S1637 L1639 R1640 | A1614-D1642 HydrophobicContact CB-CB 3.99Å; A1614-D1642 WeakPolarHBondContact CB-O 3.4Å; M1616-D1642 HydrophobicContact SD-CB 4.37Å; S1637-D1642 WeakPolarHBondContact CB-OD2 3.44Å; S1637-D1642 PolarHBondContact OG-OD2 2.78Å; L1639-D1642 PolarHBondContact O-N 2.79Å; R1640-D1642 PolarHBondContact O-N 2.96Å |
| 1643 | T | 86.3 | Confident | 83.5 | Confident | 12 Ų | 12 | 55.3 Ų | 55.3 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -97.6 | -21.6 | -175.3 | 59.4 | 0 | 0 | 0 | 0 | 114 | A1614 S1637 L1639 V1645 | A1614-T1643 HydrophobicContact CB-CG2 4.08Å; S1637-T1643 WeakPolarHBondContact O-CG2 3.25Å; L1639-T1643 PolarHBondContact O-N 2.83Å; L1639-T1643 PolarHBondContact O-OG1 2.79Å; T1643-V1645 PolarHBondContact O-N 2.8Å; T1643-V1645 PolarHBondContact OG1-N 3.23Å |
| 1644 | G | 80.7 | Confident | 84 | Confident | 69 Ų | 69 | 56.5 Ų | 56.5 | 71% | 0.711 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 71.2 | 1.2 | -170 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1640 | R1640-G1644 VanDerWaalsContact O-CA 3.29Å; R1640-G1644 WeakPolarHBondContact O-CA 3.44Å; R1640-G1644 PolarHBondContact O-N 3.23Å |
| 1645 | V | 84.1 | Confident | 83.5 | Confident | 58 Ų | 58 | 59.4 Ų | 59.4 | 35% | 0.352 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -98.3 | 143.1 | 178.5 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | T1612 R1640 T1643 Q1648 | T1612-V1645 HydrophobicContact CG2-CG2 4.01Å; R1640-V1645 VanDerWaalsContact CA-O 3.24Å; R1640-V1645 WeakPolarHBondContact CA-O 3.48Å; R1640-V1645 WeakPolarHBondContact CB-O 3.46Å; R1640-V1645 WeakPolarHBondContact CG-O 3.21Å; T1643-V1645 PolarHBondContact O-N 2.8Å; T1643-V1645 PolarHBondContact OG1-N 3.23Å; V1645-Q1648 HydrophobicContact CG1-CG 4.4Å |
| 1646 | D | 81.7 | Confident | 82.7 | Confident | 104 Ų | 104 | 66 Ų | 66 | 56% | 0.556 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 157.5 | 174.1 | -66.4 | -31.9 | 0 | 0 | 0 | 111.6 | R1640 Q1648 | R1640-D1646 IonicContact CZ-OD1 3.89Å; R1640-D1646 IonicContact NE-OD1 2.99Å; R1640-D1646 PolarHBondContact NE-OD1 2.91Å; R1640-D1646 IonicContact NH2-OD1 3.33Å; R1640-D1646 PolarHBondContact NH2-OD1 2.95Å; D1646-Q1648 PolarHBondContact O-N 3.47Å; D1646-Q1648 VanDerWaalsContact O-N 3.09Å |
| 1647 | D | 82.8 | Confident | 81.4 | Confident | 27 Ų | 27 | 70 Ų | 70 | 14% | 0.144 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 119 | -172 | -165.1 | -37.5 | 0 | 0 | 0 | 111.7 | S1594 V1595 L1649 R1654 | S1594-D1647 WeakPolarHBondContact CA-OD2 3.33Å; S1594-D1647 WeakPolarHBondContact CB-OD1 3.19Å; S1594-D1647 WeakPolarHBondContact CB-OD2 3.42Å; S1594-D1647 PolarHBondContact OG-OD1 2.86Å; S1594-D1647 VanDerWaalsContact OG-OD1 3.07Å; S1594-D1647 PolarHBondContact OG-OD2 3.48Å; V1595-D1647 WeakPolarHBondContact CG2-OD2 3.38Å; V1595-D1647 PolarHBondContact N-OD2 2.99Å; V1595-D1647 VanDerWaalsContact N-OD2 3.16Å; D1647-L1649 VanDerWaalsContact C-N 3.28Å; D1647-L1649 PolarHBondContact O-N 2.85Å; D1647-L1649 WeakPolarHBondContact OD1-CB 3.33Å; D1647-L1649 PolarHBondContact OD1-N 3.4Å; D1647-R1654 PolarHBondContact O-NH2 3.46Å |
| 1648 | Q | 88 | Confident | 79.8 | Confident | 40 Ų | 40 | 73.8 Ų | 73.8 | 19% | 0.187 | 39% | 0.389 | C | S | . | . | trans | -80.8 | -3 | -173.5 | -69.4 | 174 | 77.2 | 0 | 0 | 113.3 | T1612 M1638 V1645 D1646 | T1612-Q1648 PolarHBondContact O-NE2 3.3Å; M1638-Q1648 HydrophobicContact CE-CB 3.56Å; M1638-Q1648 HydrophobicContact CE-CG 4.36Å; V1645-Q1648 HydrophobicContact CG1-CG 4.4Å; D1646-Q1648 PolarHBondContact O-N 3.47Å; D1646-Q1648 VanDerWaalsContact O-N 3.09Å | ||
| 1649 | L | 84.8 | Confident | 78 | Confident | 1 Ų | 1 | 77.7 Ų | 77.7 | 1% | 0.005 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -73 | 123.3 | 170.6 | -175.5 | 70.6 | 0 | 0 | 0 | 109.8 | S1594 T1598 A1604 F1605 D1647 F1653 R1654 | S1594-L1649 WeakPolarHBondContact OG-CD2 3.24Å; T1598-L1649 HydrophobicContact CG2-CD1 4.46Å; A1604-L1649 HydrophobicContact CB-CD1 3.63Å; F1605-L1649 HydrophobicContact CE2-CD1 3.71Å; F1605-L1649 HydrophobicContact CZ-CB 4.49Å; F1605-L1649 HydrophobicContact CZ-CD1 4.06Å; D1647-L1649 VanDerWaalsContact C-N 3.28Å; D1647-L1649 PolarHBondContact O-N 2.85Å; D1647-L1649 WeakPolarHBondContact OD1-CB 3.33Å; D1647-L1649 PolarHBondContact OD1-N 3.4Å; L1649-F1653 HydrophobicContact CD1-CB 4.29Å; L1649-R1654 HydrophobicContact CD2-CG 4Å; L1649-R1654 HydrophobicContact CG-CG 4.31Å; L1649-R1654 VanDerWaalsContact O-CZ 3.32Å; L1649-R1654 PolarHBondContact O-NE 3.43Å; L1649-R1654 PolarHBondContact O-NH2 3.38Å |
| 1650 | P | 81.2 | Confident | 76.2 | Confident | 53 Ų | 53 | 81.2 Ų | 81.2 | 34% | 0.344 | 43% | 0.426 | S | S | . | . | trans | -60.3 | 140.7 | -179 | -18 | 28 | 0 | 0 | 0 | 111.7 | S1652 F1653 | P1650-S1652 PolarHBondContact O-N 3.44Å; P1650-S1652 VanDerWaalsContact O-N 3.1Å; P1650-F1653 HydrophobicContact CB-CD2 4.04Å; P1650-F1653 HydrophobicContact CG-CD2 4.19Å; P1650-F1653 PolarHBondContact O-N 2.82Å | ||
| 1651 | E | 78.8 | Confident | 74.5 | Confident | 154 Ų | 154 | 81.7 Ų | 81.7 | 72% | 0.72 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -53 | -36.9 | -173.5 | -76.2 | -179.3 | 171 | 0 | 0 | 113.7 | F1653 R1654 | E1651-F1653 PolarHBondContact O-N 3.27Å; E1651-F1653 VanDerWaalsContact O-N 3.11Å; E1651-R1654 PolarHBondContact O-N 3.33Å; E1651-R1654 IonicContact OE1-NH1 3.74Å |
| 1652 | S | 80 | Confident | 73 | Confident | 101 Ų | 101 | 80.7 Ų | 80.7 | 71% | 0.706 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -62.2 | -17.1 | 178.5 | 58.8 | 0 | 0 | 0 | 0 | 114.8 | P1650 | P1650-S1652 PolarHBondContact O-N 3.44Å; P1650-S1652 VanDerWaalsContact O-N 3.1Å |
| 1653 | F | 81.9 | Confident | 70.9 | Confident | 67 Ų | 67 | 84 Ų | 84 | 29% | 0.294 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -110.1 | 6.2 | -178.3 | -64.1 | -75.3 | 0 | 0 | 0 | 113.6 | T1598 K1603 A1604 L1649 P1650 E1651 C1655 | T1598-F1653 PolarHBondContact OG1-O 3Å; K1603-F1653 HydrophobicContact CB-CD1 4.42Å; K1603-F1653 HydrophobicContact CB-CE1 3.91Å; K1603-F1653 WeakPolarHBondContact O-CZ 3.21Å; A1604-F1653 HydrophobicContact CB-CB 3.95Å; A1604-F1653 HydrophobicContact CB-CD1 4.31Å; A1604-F1653 HydrophobicContact CB-CD2 4.01Å; A1604-F1653 HydrophobicContact CB-CG 3.83Å; L1649-F1653 HydrophobicContact CD1-CB 4.29Å; P1650-F1653 HydrophobicContact CB-CD2 4.04Å; P1650-F1653 HydrophobicContact CG-CD2 4.19Å; P1650-F1653 PolarHBondContact O-N 2.82Å; E1651-F1653 PolarHBondContact O-N 3.27Å; E1651-F1653 VanDerWaalsContact O-N 3.11Å; F1653-C1655 PolarHBondContact O-N 3.05Å |
| 1654 | R | 80.7 | Confident | 68.8 | Low | 74 Ų | 74 | 86.2 Ų | 86.2 | 28% | 0.279 | 46% | 0.46 | S | S | . | . | trans | -84.3 | 107.7 | 176.6 | -60.7 | 179.8 | -174.5 | 174.3 | -0.7 | 108.9 | Y1596 D1647 L1649 E1651 | Y1596-R1654 HydrophobicContact CD1-CB 4.19Å; Y1596-R1654 HydrophobicContact CD2-CB 4.44Å; Y1596-R1654 HydrophobicContact CD2-CG 3.96Å; Y1596-R1654 HydrophobicContact CG-CB 3.93Å; Y1596-R1654 HydrophobicContact CG-CG 3.93Å; D1647-R1654 PolarHBondContact O-NH2 3.46Å; L1649-R1654 HydrophobicContact CD2-CG 4Å; L1649-R1654 HydrophobicContact CG-CG 4.31Å; L1649-R1654 VanDerWaalsContact O-CZ 3.32Å; L1649-R1654 PolarHBondContact O-NE 3.43Å; L1649-R1654 PolarHBondContact O-NH2 3.38Å; E1651-R1654 PolarHBondContact O-N 3.33Å; E1651-R1654 IonicContact OE1-NH1 3.74Å | ||
| 1655 | C | 74 | Confident | 67 | Low | 72 Ų | 72 | 89 Ų | 89 | 49% | 0.486 | 46% | 0.455 | S | S | . | . | trans | -88 | -70.4 | -178.9 | -58.2 | 0 | 0 | 0 | 0 | 112.6 | R1597 F1653 | R1597-C1655 VanDerWaalsContact O-CB 3.26Å; R1597-C1655 WeakPolarHBondContact O-CB 3.31Å; R1597-C1655 PolarHBondContact O-N 3.29Å; F1653-C1655 PolarHBondContact O-N 3.05Å | ||
| 1656 | K | 70.3 | Confident | 65.1 | Low | 168 Ų | 168 | 91.1 Ų | 91.1 | 73% | 0.73 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 135.1 | 178.9 | -75.8 | -173.2 | 176.8 | -177 | 0 | 108.9 | R1597 M1658 | R1597-K1656 VanDerWaalsContact CB-O 3.31Å; R1597-K1656 WeakPolarHBondContact CB-O 3.13Å; R1597-K1656 PolarHBondContact N-O 3.12Å; K1656-M1658 PolarHBondContact O-N 3.37Å |
| 1657 | Q | 63 | Low | 63.1 | Low | 85 Ų | 85 | 88.8 Ų | 88.8 | 40% | 0.397 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 121 | 174 | -157.7 | 172.1 | -11.5 | 0 | 0 | 108.4 | Y1596 H1659 | Y1596-Q1657 HydrophobicContact CD1-CB 3.93Å; Y1596-Q1657 HydrophobicContact CD1-CG 4.09Å; Y1596-Q1657 HydrophobicContact CE1-CB 3.94Å; Y1596-Q1657 HydrophobicContact CE1-CG 3.88Å; Q1657-H1659 VanDerWaalsContact C-N 3.28Å; Q1657-H1659 WeakPolarHBondContact CG-O 3.5Å |
| 1658 | M | 55.3 | Low | 61.2 | Low | 81 Ų | 81 | 96.4 Ų | 96.4 | 40% | 0.399 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -74.5 | -23.2 | -173.4 | -74.3 | -176.5 | 57.6 | 0 | 0 | 112.5 | V1595 R1597 K1656 | V1595-M1658 PolarHBondContact O-N 2.87Å; R1597-M1658 HydrophobicContact CB-CG 3.57Å; R1597-M1658 HydrophobicContact CB-SD 3.85Å; R1597-M1658 HydrophobicContact CG-CG 4.21Å; R1597-M1658 HydrophobicContact CG-SD 3.99Å; K1656-M1658 PolarHBondContact O-N 3.37Å |
| 1659 | H | 52.7 | Low | 59.2 | Low | 82 Ų | 82 | 100.1 Ų | 100.1 | 38% | 0.38 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -136.6 | 126.1 | -178.1 | -63 | -71.5 | 0 | 0 | 0 | 109 | Q1657 C1664 | Q1657-H1659 VanDerWaalsContact C-N 3.28Å; Q1657-H1659 WeakPolarHBondContact CG-O 3.5Å; H1659-C1664 WeakPolarHBondContact CB-SG 3.44Å |
| 1660 | N | 48.1 | Very low | 57.1 | Low | 104 Ų | 104 | 107.2 Ų | 107.2 | 56% | 0.556 | 54% | 0.537 | S | S | * | . | trans | -59.3 | 136.5 | 158.9 | -84.2 | -12 | 0 | 0 | 0 | 106.8 | D1662 Q1663 | N1660-D1662 PolarHBondContact O-N 3.03Å; N1660-Q1663 HydrophobicContact CB-CB 4.42Å; N1660-Q1663 HydrophobicContact CB-CG 4.42Å; N1660-Q1663 PolarHBondContact O-N 3.18Å | ||
| 1661 | E | 45.3 | Very low | 55 | Low | 158 Ų | 158 | 111.1 Ų | 111.1 | 74% | 0.738 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | -24.2 | -179.1 | -71.4 | -173.2 | 151.8 | 0 | 0 | 112.1 | ||
| 1662 | D | 48.2 | Very low | 53.2 | Low | 133 Ų | 133 | 105.9 Ų | 105.9 | 71% | 0.711 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -27 | 175 | -60 | -32.8 | 0 | 0 | 0 | 115.2 | N1660 | N1660-D1662 PolarHBondContact O-N 3.03Š|
| 1663 | Q | 42 | Very low | 51.1 | Low | 120 Ų | 120 | 109.2 Ų | 109.2 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -86.1 | -9.7 | -176.4 | -78 | -173 | -12.4 | 0 | 0 | 114.3 | N1660 | N1660-Q1663 HydrophobicContact CB-CB 4.42Å; N1660-Q1663 HydrophobicContact CB-CG 4.42Å; N1660-Q1663 PolarHBondContact O-N 3.18Å |
| 1664 | C | 41.6 | Very low | 48.8 | Very low | 60 Ų | 60 | 113.3 Ų | 113.3 | 41% | 0.405 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -74.7 | -15.1 | 170.9 | -88.8 | 0 | 0 | 0 | 0 | 112.9 | H1659 Y1668 | H1659-C1664 WeakPolarHBondContact CB-SG 3.44Å; C1664-Y1668 WeakPolarHBondContact O-CB 3.31Å |
| 1665 | Q | 43.2 | Very low | 46.3 | Very low | 127 Ų | 127 | 113.2 Ų | 113.2 | 59% | 0.593 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -80.6 | -43.9 | 179.3 | -139.5 | 151.2 | -18.9 | 0 | 0 | 111.4 | A1667 Y1668 E1669 | Q1665-A1667 PolarHBondContact O-N 3.31Å; Q1665-Y1668 PolarHBondContact O-N 3.09Å; Q1665-E1669 PolarHBondContact O-N 3.08Å |
| 1666 | D | 42.6 | Very low | 44 | Very low | 103 Ų | 103 | 116.2 Ų | 116.2 | 55% | 0.551 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.2 | -37.4 | -179.9 | -69.4 | -17.9 | 0 | 0 | 0 | 113.4 | Y1668 E1669 Q1670 | D1666-Y1668 VanDerWaalsContact C-N 3.29Å; D1666-Y1668 PolarHBondContact O-N 2.88Å; D1666-E1669 PolarHBondContact O-N 2.99Å; D1666-Q1670 PolarHBondContact O-N 3.33Å |
| 1667 | A | 41.7 | Very low | 42 | Very low | 54 Ų | 54 | 118.5 Ų | 118.5 | 45% | 0.446 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71 | -27.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1665 L1671 | Q1665-A1667 PolarHBondContact O-N 3.31Å; A1667-L1671 PolarHBondContact O-N 3.11Å |
| 1668 | Y | 42.8 | Very low | 40.3 | Very low | 187 Ų | 187 | 122.2 Ų | 122.2 | 73% | 0.733 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -79.5 | -35.5 | 175.2 | -158 | -92.3 | 0 | 0 | 0 | 111.5 | C1664 Q1665 D1666 L1671 A1672 | C1664-Y1668 WeakPolarHBondContact O-CB 3.31Å; Q1665-Y1668 PolarHBondContact O-N 3.09Å; D1666-Y1668 VanDerWaalsContact C-N 3.29Å; D1666-Y1668 PolarHBondContact O-N 2.88Å; Y1668-L1671 PolarHBondContact O-N 3.12Å; Y1668-A1672 WeakPolarHBondContact O-CB 3.47Å; Y1668-A1672 PolarHBondContact O-N 3.28Å |
| 1669 | E | 45.4 | Very low | 38.8 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 55% | 0.551 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.2 | -38.6 | 175.2 | -74.4 | -176.7 | 179.9 | 0 | 0 | 112.5 | Q1665 D1666 L1671 A1672 E1673 | Q1665-E1669 PolarHBondContact O-N 3.08Å; D1666-E1669 PolarHBondContact O-N 2.99Å; E1669-L1671 VanDerWaalsContact C-N 3.33Å; E1669-L1671 PolarHBondContact O-N 3.47Å; E1669-A1672 PolarHBondContact O-N 2.81Å; E1669-A1672 VanDerWaalsContact O-N 3.15Å; E1669-E1673 PolarHBondContact O-N 2.91Å |
| 1670 | Q | 39.6 | Very low | 37.5 | Very low | 150 Ų | 150 | 126.7 Ų | 126.7 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.7 | -27.8 | 175.2 | -75.6 | -173.7 | -5.2 | 0 | 0 | 113.9 | D1666 | D1666-Q1670 PolarHBondContact O-N 3.33Å |
| 1671 | L | 37.4 | Very low | 36.4 | Very low | 135 Ų | 135 | 126.4 Ų | 126.4 | 71% | 0.707 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -80.1 | -23.6 | 172.1 | -85.9 | 159.7 | 0 | 0 | 0 | 112.5 | A1667 Y1668 E1669 | A1667-L1671 PolarHBondContact O-N 3.11Å; Y1668-L1671 PolarHBondContact O-N 3.12Å; E1669-L1671 VanDerWaalsContact C-N 3.33Å; E1669-L1671 PolarHBondContact O-N 3.47Å |
| 1672 | A | 41.8 | Very low | 35.3 | Very low | 44 Ų | 44 | 127.3 Ų | 127.3 | 36% | 0.364 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -75 | -29.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1668 E1669 N1674 C1675 | Y1668-A1672 WeakPolarHBondContact O-CB 3.47Å; Y1668-A1672 PolarHBondContact O-N 3.28Å; E1669-A1672 PolarHBondContact O-N 2.81Å; E1669-A1672 VanDerWaalsContact O-N 3.15Å; A1672-N1674 PolarHBondContact O-N 3.46Å; A1672-C1675 PolarHBondContact O-N 3.4Å |
| 1673 | E | 35.3 | Very low | 34.1 | Very low | 172 Ų | 172 | 126.2 Ų | 126.2 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -19.6 | 179.1 | -78.7 | -168.7 | 153.5 | 0 | 0 | 114.4 | E1669 | E1669-E1673 PolarHBondContact O-N 2.91Š|
| 1674 | N | 34.4 | Very low | 33.1 | Very low | 152 Ų | 152 | 126.7 Ų | 126.7 | 81% | 0.813 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 10.1 | 176.8 | -84.8 | -27.8 | 0 | 0 | 0 | 114.7 | A1672 | A1672-N1674 PolarHBondContact O-N 3.46Š|
| 1675 | C | 27 | Very low | 32.3 | Very low | 72 Ų | 72 | 128.3 Ų | 128.3 | 49% | 0.486 | 70% | 0.7 | S | S | . | * | trans | -116.1 | 89.3 | 178.7 | -74 | 0 | 0 | 0 | 0 | 111.6 | A1672 W1677 | A1672-C1675 PolarHBondContact O-N 3.4Å; C1675-W1677 PolarHBondContact O-N 3.49Å | ||
| 1676 | S | 25.8 | Very low | 31.3 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 95% | 0.951 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 27.6 | -179.7 | 60 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1677 | W | 28.6 | Very low | 30.4 | Very low | 215 Ų | 215 | 136 Ų | 136 | 81% | 0.814 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -4.2 | 178.6 | 116.8 | -53.7 | 0 | 0 | 0 | 114.1 | C1675 S1679 | C1675-W1677 PolarHBondContact O-N 3.49Å; W1677-S1679 PolarHBondContact O-N 3.25Å |
| 1678 | F | 26.6 | Very low | 29.5 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | trans | -80.8 | 83.8 | 178.7 | -76.6 | -81 | 0 | 0 | 0 | 112 | ||||
| 1679 | S | 24.3 | Very low | 28.5 | Very low | 109 Ų | 109 | 144.1 Ų | 144.1 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | -149.9 | 86.7 | 154.7 | 66.5 | 0 | 0 | 0 | 0 | 110.5 | W1677 | W1677-S1679 PolarHBondContact O-N 3.25Š| ||
| 1680 | V | 26.7 | Very low | 27.3 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | -130.5 | 116.1 | 155.3 | -180 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1681 | S | 23.3 | Very low | 26.6 | Very low | 97 Ų | 97 | 152.6 Ų | 152.6 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -78.3 | 141.7 | -177.7 | 49.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1682 | H | 23.1 | Very low | 25.9 | Very low | 178 Ų | 178 | 152.6 Ų | 152.6 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | 72.1 | 127.7 | 141.3 | -79 | -68.1 | 0 | 0 | 0 | 122.8 | ||||
| 1683 | S | 23.2 | Very low | 25.4 | Very low | 110 Ų | 110 | 155.2 Ų | 155.2 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | 83.3 | 91.8 | 143.7 | 72.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1684 | C | 21.7 | Very low | 25 | Very low | 129 Ų | 129 | 154.3 Ų | 154.3 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -145.8 | 107.3 | 135.7 | -137.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1685 | S | 23.1 | Very low | 24.5 | Very low | 95 Ų | 95 | 155.6 Ų | 155.6 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | trans | -15.3 | 124.9 | 170.4 | 52.1 | 0 | 0 | 0 | 0 | 118.7 | K1687 | S1685-K1687 PolarHBondContact O-N 2.95Š| ||
| 1686 | H | 22.9 | Very low | 24.4 | Very low | 190 Ų | 190 | 155.8 Ų | 155.8 | 88% | 0.88 | 82% | 0.819 | S | S | * | * | trans | -44.4 | 115.5 | 149.4 | -78.6 | -91.2 | 0 | 0 | 0 | 111.7 | ||||
| 1687 | K | 24.4 | Very low | 24.8 | Very low | 200 Ų | 200 | 157.9 Ų | 157.9 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | trans | -116.9 | 90.4 | 153.5 | -91 | -174.7 | 178.1 | 176.7 | 0 | 109.3 | S1685 M1689 | S1685-K1687 PolarHBondContact O-N 2.95Å; K1687-M1689 PolarHBondContact O-N 3.49Å; K1687-M1689 VanDerWaalsContact O-N 3.14Å | ||
| 1688 | R | 21.8 | Very low | 25 | Very low | 217 Ų | 217 | 153 Ų | 153 | 82% | 0.819 | 81% | 0.81 | S | S | * | * | trans | -63.2 | 97 | 166.4 | -163.8 | 179.8 | -166.3 | 179.9 | 5 | 108.1 | R1690 | R1688-R1690 PolarHBondContact O-N 3.22Š| ||
| 1689 | M | 21.3 | Very low | 24.9 | Very low | 195 Ų | 195 | 151.7 Ų | 151.7 | 96% | 0.961 | 81% | 0.81 | S | S | * | * | trans | -87.1 | 102.5 | 171.7 | -140.1 | 171.3 | -154.8 | 0 | 0 | 108.6 | K1687 | K1687-M1689 PolarHBondContact O-N 3.49Å; K1687-M1689 VanDerWaalsContact O-N 3.14Å | ||
| 1690 | R | 21.5 | Very low | 25.3 | Very low | 207 Ų | 207 | 151.5 Ų | 151.5 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | trans | -63.8 | 139.4 | 177.3 | -81.2 | 177.6 | 168.1 | 167.9 | -4.2 | 110.7 | R1688 V1692 | R1688-R1690 PolarHBondContact O-N 3.22Å; R1690-V1692 PolarHBondContact O-N 2.86Å | ||
| 1691 | R | 24.5 | Very low | 26.3 | Very low | 240 Ų | 240 | 149.7 Ų | 149.7 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -33.4 | 120.7 | 159.7 | -76.1 | 173.9 | 176.3 | 164.2 | -2.2 | 112.1 | ||||
| 1692 | V | 23.1 | Very low | 26.4 | Very low | 134 Ų | 134 | 152.2 Ų | 152.2 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | -85.2 | 123 | 156.8 | 174.5 | 0 | 0 | 0 | 0 | 106.9 | R1690 | R1690-V1692 PolarHBondContact O-N 2.86Š| ||
| 1693 | S | 32 | Very low | 26.7 | Very low | 99 Ų | 99 | 151.2 Ų | 151.2 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | trans | -110.6 | 122.9 | 174.1 | 4.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1694 | L | 26 | Very low | 27.1 | Very low | 153 Ų | 153 | 149 Ų | 149 | 80% | 0.801 | 80% | 0.802 | S | S | * | * | trans | -157.2 | 95.3 | 165.5 | -80.6 | 173.2 | 0 | 0 | 0 | 105.3 | ||||
| 1695 | L | 24.2 | Very low | 27.1 | Very low | 179 Ų | 179 | 154.2 Ų | 154.2 | 94% | 0.937 | 80% | 0.803 | S | S | * | * | 52.9 | 118.3 | 86.2 | -77.2 | 169.6 | 0 | 0 | 0 | 114.7 | |||||
| 1696 | G | 23.6 | Very low | 27.2 | Very low | 76 Ų | 76 | 156.7 Ų | 156.7 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | 164.4 | 81.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1697 | E | 34.3 | Very low | 27.4 | Very low | 181 Ų | 181 | 155 Ų | 155 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -67.5 | 155.9 | 156 | -63.9 | -179.8 | 150.3 | 0 | 0 | 109.7 | ||||
| 1698 | P | 33.4 | Very low | 27.4 | Very low | 113 Ų | 113 | 148.9 Ų | 148.9 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | -152.4 | 142.2 | 90.3 | 35.1 | -14.2 | 0 | 0 | 0 | 118 | |||||
| 1699 | N | 24.3 | Very low | 27.4 | Very low | 135 Ų | 135 | 146.2 Ų | 146.2 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | 52.8 | 107.1 | 131.9 | -59 | -17.2 | 0 | 0 | 0 | 123.3 | ||||
| 1700 | S | 33.3 | Very low | 27.5 | Very low | 105 Ų | 105 | 144 Ų | 144 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | 32.6 | 159.2 | 119.6 | 69 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1701 | P | 48.1 | Very low | 27.5 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | cis | -145.3 | 174.5 | 19 | 39.7 | -18.2 | 0 | 0 | 0 | 118.8 | ||||
| 1702 | D | 25.8 | Very low | 27.5 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | 52.7 | 140.1 | 154.3 | -72.9 | -19.7 | 0 | 0 | 0 | 120.7 | ||||
| 1703 | D | 27.9 | Very low | 27.5 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | cis | -171 | 154.9 | 33.5 | -139.3 | -18.9 | 0 | 0 | 0 | 112.7 | ||||
| 1704 | G | 31.5 | Very low | 27.2 | Very low | 64 Ų | 64 | 135 Ų | 135 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | trans | 85.4 | 92.5 | 154.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1705 | R | 23.3 | Very low | 27 | Very low | 238 Ų | 238 | 135.2 Ų | 135.2 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | 49.2 | 133.4 | 86.8 | -70.5 | -175.4 | -178.5 | 166.5 | 2.2 | 115.8 | |||||
| 1706 | N | 24.8 | Very low | 26.9 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | cis | -162.8 | 126.3 | 19.4 | -118.2 | 2.3 | 0 | 0 | 0 | 109.2 | ||||
| 1707 | T | 27.4 | Very low | 26.8 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | trans | -124.9 | 120 | 166.5 | 43.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1708 | G | 23.5 | Very low | 26.3 | Very low | 73 Ų | 73 | 131.1 Ų | 131.1 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | -144.7 | 150.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1709 | M | 21.8 | Very low | 25.7 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | cis | -165.6 | 152.6 | 19.8 | -103.8 | 174.9 | 151.5 | 0 | 0 | 107.9 | ||||
| 1710 | Q | 22.6 | Very low | 25.6 | Very low | 150 Ų | 150 | 129.4 Ų | 129.4 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | 60.6 | 115.6 | 139.6 | -68.2 | 169.6 | -24.8 | 0 | 0 | 119.1 | ||||
| 1711 | E | 23.1 | Very low | 25.1 | Very low | 192 Ų | 192 | 128.8 Ų | 128.8 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | 62.7 | 128.5 | 76.1 | -76.8 | -169.9 | 164.2 | 0 | 0 | 114.7 | |||||
| 1712 | G | 24.1 | Very low | 24 | Very low | 75 Ų | 75 | 130.1 Ų | 130.1 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | 151.5 | 102.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1713 | S | 23.3 | Very low | 23.9 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -30.5 | 150.3 | 152 | 53.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1714 | A | 25 | Very low | 23.6 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | 169.1 | 139.9 | 117.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1715 | D | 22.3 | Very low | 23.2 | Very low | 158 Ų | 158 | 132 Ų | 132 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -61.1 | 156.9 | 168.8 | -72.1 | -54.2 | 0 | 0 | 0 | 114.7 | ||||
| 1716 | C | 21.7 | Very low | 23.3 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 44.8 | 135.4 | 136.9 | -146.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 1717 | V | 22.5 | Very low | 23.4 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | trans | 144.9 | 105.5 | 133.8 | 172.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1718 | T | 22.2 | Very low | 23.2 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | trans | 37.6 | 144.9 | 138.3 | 69.9 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 1719 | T | 22.2 | Very low | 23.3 | Very low | 139 Ų | 139 | 133.5 Ų | 133.5 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | 97.2 | 119.4 | 141.4 | 64.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1720 | G | 22.1 | Very low | 23.5 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | 114.6 | 113.6 | 114.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1721 | A | 23 | Very low | 23.7 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | 85 | 106.6 | 132.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1722 | T | 23.8 | Very low | 23.9 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | 28.9 | 137.3 | 123.8 | 50.7 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1723 | A | 23.7 | Very low | 23.8 | Very low | 89 Ų | 89 | 141.3 Ų | 141.3 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | 124.8 | 144.2 | 148.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1724 | Q | 22.2 | Very low | 23.9 | Very low | 165 Ų | 165 | 144 Ų | 144 | 77% | 0.771 | 80% | 0.795 | S | S | * | * | cis | -175.1 | 168.5 | -6.4 | -117.9 | 172.5 | -25.7 | 0 | 0 | 105.9 | ||||
| 1725 | Q | 23.4 | Very low | 24.2 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | 86.3 | 100.1 | 147.1 | -80.7 | 162.2 | -23.2 | 0 | 0 | 121.7 | ||||
| 1726 | D | 25.5 | Very low | 25 | Very low | 148 Ų | 148 | 146.4 Ų | 146.4 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | 30.1 | 118.9 | 104.1 | -63.9 | -31.2 | 0 | 0 | 0 | 120 | |||||
| 1727 | M | 26.6 | Very low | 25.6 | Very low | 178 Ų | 178 | 146.1 Ų | 146.1 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -164.9 | 106.8 | 133.5 | -85.3 | -140.4 | -77.4 | 0 | 0 | 108.4 | ||||
| 1728 | L | 23.3 | Very low | 26.4 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | 81.4 | 109.1 | 75.5 | -78.7 | 170.3 | 0 | 0 | 0 | 115.7 | |||||
| 1729 | H | 24.8 | Very low | 27.2 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | trans | 36.2 | 122.7 | 139.4 | -77 | -87 | 0 | 0 | 0 | 121.4 | ||||
| 1730 | S | 25.9 | Very low | 28.5 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | 150.8 | 118.9 | 106 | 56.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1731 | R | 27.6 | Very low | 30 | Very low | 250 Ų | 250 | 142.5 Ų | 142.5 | 94% | 0.943 | 76% | 0.76 | S | S | * | * | 174.7 | 105.5 | 127.7 | -99.8 | 176.8 | 172.1 | 178.2 | -2.2 | 110.6 | |||||
| 1732 | E | 25.9 | Very low | 31 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | trans | -75.6 | 159.5 | 164.4 | -57.2 | 177.2 | 147.7 | 0 | 0 | 111.4 | ||||
| 1733 | R | 23.9 | Very low | 32.5 | Very low | 221 Ų | 221 | 141.6 Ų | 141.6 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | trans | 105.8 | 126.1 | 150.2 | -67.2 | 172 | -169.2 | -154.7 | -0.4 | 117.9 | ||||
| 1734 | E | 25.2 | Very low | 33.8 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | trans | 89.3 | 87.6 | 168.9 | -58.8 | -175.8 | 175.1 | 0 | 0 | 117.5 | ||||
| 1735 | N | 30.6 | Very low | 35.2 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 83% | 0.829 | 72% | 0.718 | S | S | * | * | trans | -176.4 | 77.8 | 136.8 | -88.8 | -22 | 0 | 0 | 0 | 111.1 | S1737 | N1735-S1737 VanDerWaalsContact C-N 3.29Å; N1735-S1737 PolarHBondContact O-N 3.38Å | ||
| 1736 | V | 38.3 | Very low | 36.6 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 93% | 0.927 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 50.7 | 179.3 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1737 | S | 35.4 | Very low | 38.1 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 80% | 0.797 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.1 | 12.5 | 166 | 92.3 | 0 | 0 | 0 | 0 | 114.8 | N1735 | N1735-S1737 VanDerWaalsContact C-N 3.29Å; N1735-S1737 PolarHBondContact O-N 3.38Å |
| 1738 | G | 39.1 | Very low | 39.3 | Very low | 38 Ų | 38 | 132.9 Ų | 132.9 | 39% | 0.392 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -103.9 | -12 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | L1742 | G1738-L1742 PolarHBondContact O-N 3.23Š|
| 1739 | N | 39.5 | Very low | 40.3 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 64% | 0.642 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -77 | -33 | -170.8 | -80.2 | -0.5 | 0 | 0 | 0 | 113.8 | V1741 L1742 E1743 | N1739-V1741 PolarHBondContact O-N 3.33Å; N1739-L1742 PolarHBondContact O-N 3.32Å; N1739-E1743 PolarHBondContact O-N 2.71Å |
| 1740 | D | 48.8 | Very low | 41.1 | Very low | 128 Ų | 128 | 132 Ų | 132 | 68% | 0.684 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.3 | -37.2 | 179.8 | -64.2 | -14.1 | 0 | 0 | 0 | 111.6 | E1743 E1744 | D1740-E1743 PolarHBondContact O-N 2.91Å; D1740-E1744 WeakPolarHBondContact O-CB 3.29Å; D1740-E1744 PolarHBondContact O-N 3.02Å |
| 1741 | V | 52.8 | Low | 42.2 | Very low | 81 Ų | 81 | 132 Ų | 132 | 49% | 0.491 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -70.4 | -34.9 | 176.3 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | N1739 Q1745 | N1739-V1741 PolarHBondContact O-N 3.33Å; V1741-Q1745 VanDerWaalsContact O-CB 3.29Å; V1741-Q1745 WeakPolarHBondContact O-CB 3.33Å; V1741-Q1745 VanDerWaalsContact O-CG 3.31Å; V1741-Q1745 WeakPolarHBondContact O-CG 3.39Å; V1741-Q1745 PolarHBondContact O-N 2.91Å |
| 1742 | L | 44 | Very low | 43 | Very low | 91 Ų | 91 | 125.3 Ų | 125.3 | 48% | 0.476 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -75.1 | -34.3 | 177.8 | -137.5 | 102.2 | 0 | 0 | 0 | 111.8 | G1738 N1739 Q1746 | G1738-L1742 PolarHBondContact O-N 3.23Å; N1739-L1742 PolarHBondContact O-N 3.32Å; L1742-Q1746 WeakPolarHBondContact O-CB 3.48Å; L1742-Q1746 WeakPolarHBondContact O-CG 3.5Å; L1742-Q1746 PolarHBondContact O-N 2.87Å |
| 1743 | E | 55.3 | Low | 43.7 | Very low | 120 Ų | 120 | 124.1 Ų | 124.1 | 56% | 0.561 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.5 | -44.9 | 170.8 | -96.7 | -172.9 | 164 | 0 | 0 | 111.2 | N1739 D1740 Q1745 Q1746 I1747 | N1739-E1743 PolarHBondContact O-N 2.71Å; D1740-E1743 PolarHBondContact O-N 2.91Å; E1743-Q1745 VanDerWaalsContact C-N 3.35Å; E1743-Q1745 PolarHBondContact O-N 3.27Å; E1743-Q1746 PolarHBondContact O-N 3.06Å; E1743-I1747 WeakPolarHBondContact O-CB 3.28Å; E1743-I1747 WeakPolarHBondContact O-CD1 3.29Å; E1743-I1747 WeakPolarHBondContact O-CG1 3.1Å; E1743-I1747 PolarHBondContact O-N 2.89Å |
| 1744 | E | 51.7 | Low | 44.5 | Very low | 142 Ų | 142 | 117.1 Ų | 117.1 | 66% | 0.664 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.4 | -42.3 | 174.3 | -86.4 | -169 | 152.8 | 0 | 0 | 111.9 | D1740 I1747 L1748 | D1740-E1744 WeakPolarHBondContact O-CB 3.29Å; D1740-E1744 PolarHBondContact O-N 3.02Å; E1744-I1747 PolarHBondContact O-N 2.91Å; E1744-L1748 VanDerWaalsContact O-CB 3.23Å; E1744-L1748 WeakPolarHBondContact O-CB 3.26Å; E1744-L1748 PolarHBondContact O-N 3.01Å |
| 1745 | Q | 52.1 | Low | 45.1 | Very low | 116 Ų | 116 | 114.8 Ų | 114.8 | 54% | 0.542 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68 | -37.5 | 175.5 | -78.3 | -177.6 | -6.1 | 0 | 0 | 112.2 | V1741 E1743 Q1749 | V1741-Q1745 VanDerWaalsContact O-CB 3.29Å; V1741-Q1745 WeakPolarHBondContact O-CB 3.33Å; V1741-Q1745 VanDerWaalsContact O-CG 3.31Å; V1741-Q1745 WeakPolarHBondContact O-CG 3.39Å; V1741-Q1745 PolarHBondContact O-N 2.91Å; E1743-Q1745 VanDerWaalsContact C-N 3.35Å; E1743-Q1745 PolarHBondContact O-N 3.27Å; Q1745-Q1749 WeakPolarHBondContact O-CB 3.31Å; Q1745-Q1749 PolarHBondContact O-N 2.9Å |
| 1746 | Q | 52.8 | Low | 45.4 | Very low | 104 Ų | 104 | 112.1 Ų | 112.1 | 49% | 0.486 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.2 | -36.9 | 175.2 | -78.5 | -179 | 13.2 | 0 | 0 | 111.8 | L1742 E1743 R1750 | L1742-Q1746 WeakPolarHBondContact O-CB 3.48Å; L1742-Q1746 WeakPolarHBondContact O-CG 3.5Å; L1742-Q1746 PolarHBondContact O-N 2.87Å; E1743-Q1746 PolarHBondContact O-N 3.06Å; Q1746-R1750 VanDerWaalsContact O-CB 3.3Å; Q1746-R1750 WeakPolarHBondContact O-CB 3.41Å; Q1746-R1750 PolarHBondContact O-N 3.09Å |
| 1747 | I | 56.2 | Low | 45.5 | Very low | 93 Ų | 93 | 107.2 Ų | 107.2 | 48% | 0.477 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.5 | -49.3 | 173.9 | -68.9 | 163.3 | 0 | 0 | 0 | 109.3 | E1743 E1744 Q1749 R1750 E1751 | E1743-I1747 WeakPolarHBondContact O-CB 3.28Å; E1743-I1747 WeakPolarHBondContact O-CD1 3.29Å; E1743-I1747 WeakPolarHBondContact O-CG1 3.1Å; E1743-I1747 PolarHBondContact O-N 2.89Å; E1744-I1747 PolarHBondContact O-N 2.91Å; I1747-Q1749 VanDerWaalsContact C-N 3.33Å; I1747-Q1749 PolarHBondContact O-N 2.92Å; I1747-R1750 CarbonylContact O-C 3.55Å; I1747-R1750 WeakPolarHBondContact O-CB 3.43Å; I1747-R1750 PolarHBondContact O-N 3.1Å; I1747-R1750 VanDerWaalsContact O-N 3.14Å; I1747-E1751 HydrophobicContact CG2-CG 4.39Å; I1747-E1751 WeakPolarHBondContact O-CB 3.45Å; I1747-E1751 WeakPolarHBondContact O-CG 3.44Å; I1747-E1751 PolarHBondContact O-N 3.46Å |
| 1748 | L | 51.9 | Low | 45.6 | Very low | 99 Ų | 99 | 106.2 Ų | 106.2 | 52% | 0.518 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 178.2 | -168.5 | 76.5 | 0 | 0 | 0 | 111.8 | E1744 E1751 L1752 | E1744-L1748 VanDerWaalsContact O-CB 3.23Å; E1744-L1748 WeakPolarHBondContact O-CB 3.26Å; E1744-L1748 PolarHBondContact O-N 3.01Å; L1748-E1751 PolarHBondContact O-N 3.29Å; L1748-L1752 HydrophobicContact CD2-CD1 4.4Å; L1748-L1752 HydrophobicContact CG-CD1 4.04Å; L1748-L1752 VanDerWaalsContact O-CB 3.29Å; L1748-L1752 WeakPolarHBondContact O-CB 3.38Å; L1748-L1752 VanDerWaalsContact O-CG 3.3Å; L1748-L1752 WeakPolarHBondContact O-CG 3.2Å; L1748-L1752 PolarHBondContact O-N 3.32Å |
| 1749 | Q | 44.6 | Very low | 45.5 | Very low | 118 Ų | 118 | 111.4 Ų | 111.4 | 55% | 0.551 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -72 | -31.5 | 177.1 | -158.1 | 174.4 | 29.2 | 0 | 0 | 111.3 | Q1745 I1747 M1753 | Q1745-Q1749 WeakPolarHBondContact O-CB 3.31Å; Q1745-Q1749 PolarHBondContact O-N 2.9Å; I1747-Q1749 VanDerWaalsContact C-N 3.33Å; I1747-Q1749 PolarHBondContact O-N 2.92Å; Q1749-M1753 WeakPolarHBondContact O-CB 3.2Å; Q1749-M1753 VanDerWaalsContact O-CG 3.24Å; Q1749-M1753 WeakPolarHBondContact O-CG 3.42Å; Q1749-M1753 PolarHBondContact O-N 3.46Å |
| 1750 | R | 42.2 | Very low | 45.7 | Very low | 181 Ų | 181 | 107.9 Ų | 107.9 | 68% | 0.683 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.1 | -39.9 | 169.3 | -128.2 | 173.5 | -173.3 | 116.3 | -0.3 | 111.7 | Q1746 I1747 M1753 L1754 | Q1746-R1750 VanDerWaalsContact O-CB 3.3Å; Q1746-R1750 WeakPolarHBondContact O-CB 3.41Å; Q1746-R1750 PolarHBondContact O-N 3.09Å; I1747-R1750 CarbonylContact O-C 3.55Å; I1747-R1750 WeakPolarHBondContact O-CB 3.43Å; I1747-R1750 PolarHBondContact O-N 3.1Å; I1747-R1750 VanDerWaalsContact O-N 3.14Å; R1750-M1753 PolarHBondContact O-N 2.65Å; R1750-L1754 WeakPolarHBondContact O-CB 3.4Å; R1750-L1754 VanDerWaalsContact O-CD1 3.28Å; R1750-L1754 WeakPolarHBondContact O-CD1 3.17Å; R1750-L1754 WeakPolarHBondContact O-CG 3.36Å; R1750-L1754 PolarHBondContact O-N 3.14Å |
| 1751 | E | 48.5 | Very low | 45.9 | Very low | 108 Ų | 108 | 104 Ų | 104 | 51% | 0.505 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.5 | -45.9 | 176.3 | -75.2 | -177.6 | 166.3 | 0 | 0 | 111 | I1747 L1748 L1754 L1755 | I1747-E1751 HydrophobicContact CG2-CG 4.39Å; I1747-E1751 WeakPolarHBondContact O-CB 3.45Å; I1747-E1751 WeakPolarHBondContact O-CG 3.44Å; I1747-E1751 PolarHBondContact O-N 3.46Å; L1748-E1751 PolarHBondContact O-N 3.29Å; E1751-L1754 PolarHBondContact O-N 3.26Å; E1751-L1755 VanDerWaalsContact O-CD1 3.31Å; E1751-L1755 WeakPolarHBondContact O-CD1 3.31Å; E1751-L1755 WeakPolarHBondContact O-CG 3.15Å; E1751-L1755 PolarHBondContact O-N 3.15Å |
| 1752 | L | 45.4 | Very low | 46.2 | Very low | 108 Ų | 108 | 106.5 Ų | 106.5 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.5 | -37.8 | 175.1 | -74.9 | 166 | 0 | 0 | 0 | 112.5 | L1748 L1754 L1755 | L1748-L1752 HydrophobicContact CD2-CD1 4.4Å; L1748-L1752 HydrophobicContact CG-CD1 4.04Å; L1748-L1752 VanDerWaalsContact O-CB 3.29Å; L1748-L1752 WeakPolarHBondContact O-CB 3.38Å; L1748-L1752 VanDerWaalsContact O-CG 3.3Å; L1748-L1752 WeakPolarHBondContact O-CG 3.2Å; L1748-L1752 PolarHBondContact O-N 3.32Å; L1752-L1754 VanDerWaalsContact C-N 3.28Å; L1752-L1754 PolarHBondContact O-N 2.95Å; L1752-L1755 PolarHBondContact O-N 2.81Å |
| 1753 | M | 40.6 | Very low | 47.3 | Very low | 137 Ų | 137 | 104 Ų | 104 | 68% | 0.675 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.6 | -22.4 | 173.8 | -81.2 | -168.5 | 171.7 | 0 | 0 | 113.5 | Q1749 R1750 L1755 | Q1749-M1753 WeakPolarHBondContact O-CB 3.2Å; Q1749-M1753 VanDerWaalsContact O-CG 3.24Å; Q1749-M1753 WeakPolarHBondContact O-CG 3.42Å; Q1749-M1753 PolarHBondContact O-N 3.46Å; R1750-M1753 PolarHBondContact O-N 2.65Å; M1753-L1755 VanDerWaalsContact C-N 3.33Å |
| 1754 | L | 39.1 | Very low | 48.4 | Very low | 74 Ų | 74 | 100.9 Ų | 100.9 | 39% | 0.387 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -6 | 175 | -73.9 | 163.6 | 0 | 0 | 0 | 113.1 | R1750 E1751 L1752 | R1750-L1754 WeakPolarHBondContact O-CB 3.4Å; R1750-L1754 VanDerWaalsContact O-CD1 3.28Å; R1750-L1754 WeakPolarHBondContact O-CD1 3.17Å; R1750-L1754 WeakPolarHBondContact O-CG 3.36Å; R1750-L1754 PolarHBondContact O-N 3.14Å; E1751-L1754 PolarHBondContact O-N 3.26Å; L1752-L1754 VanDerWaalsContact C-N 3.28Å; L1752-L1754 PolarHBondContact O-N 2.95Å |
| 1755 | L | 38.7 | Very low | 49.6 | Very low | 130 Ų | 130 | 99.9 Ų | 99.9 | 68% | 0.681 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -99 | 0.7 | -178.1 | -85 | 154.8 | 0 | 0 | 0 | 113.6 | E1751 L1752 M1753 P1757 | E1751-L1755 VanDerWaalsContact O-CD1 3.31Å; E1751-L1755 WeakPolarHBondContact O-CD1 3.31Å; E1751-L1755 WeakPolarHBondContact O-CG 3.15Å; E1751-L1755 PolarHBondContact O-N 3.15Å; L1752-L1755 PolarHBondContact O-N 2.81Å; M1753-L1755 VanDerWaalsContact C-N 3.33Å; L1755-P1757 WeakPolarHBondContact O-CD 3Å |
| 1756 | D | 35.7 | Very low | 50.6 | Low | 99 Ų | 99 | 95.7 Ų | 95.7 | 53% | 0.529 | 49% | 0.485 | S | S | . | . | trans | -96.4 | 107.4 | -179.1 | -163.1 | -13.4 | 0 | 0 | 0 | 112.1 | D1758 | D1756-D1758 VanDerWaalsContact C-N 3.27Å; D1756-D1758 PolarHBondContact O-N 2.95Å; D1756-D1758 PolarHBondContact OD1-N 2.81Å | ||
| 1757 | P | 40.7 | Very low | 52 | Low | 50 Ų | 50 | 91.1 Ų | 91.1 | 33% | 0.325 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -9.8 | -173.8 | -12.7 | 28.2 | 0 | 0 | 0 | 115.1 | L1755 K1759 | L1755-P1757 WeakPolarHBondContact O-CD 3Å; P1757-K1759 PolarHBondContact O-N 3.35Å |
| 1758 | D | 37.2 | Very low | 53.1 | Low | 93 Ų | 93 | 89.9 Ų | 89.9 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -18.3 | 179.6 | -85.2 | -8.6 | 0 | 0 | 0 | 112.4 | K57 D1756 G1760 | K57-D1758 WeakPolarHBondContact CE-OD2 3.13Å; K57-D1758 IonicContact NZ-OD2 2.67Å; K57-D1758 PolarHBondContact NZ-OD2 2.84Å; D1756-D1758 VanDerWaalsContact C-N 3.27Å; D1756-D1758 PolarHBondContact O-N 2.95Å; D1756-D1758 PolarHBondContact OD1-N 2.81Å; D1758-G1760 PolarHBondContact O-N 3.38Å |
| 1759 | K | 37.6 | Very low | 54.1 | Low | 148 Ų | 148 | 91.2 Ų | 91.2 | 64% | 0.643 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -81.4 | 93.9 | 157.5 | -85.1 | -175.2 | 176.2 | 178 | 0 | 107.9 | P1757 L1761 | P1757-K1759 PolarHBondContact O-N 3.35Å; K1759-L1761 PolarHBondContact O-N 3.49Å |
| 1760 | G | 44 | Very low | 55.4 | Low | 45 Ų | 45 | 86.7 Ų | 86.7 | 46% | 0.464 | 44% | 0.438 | S | S | . | . | trans | -46.9 | 115.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | D1758 Q1762 | D1758-G1760 PolarHBondContact O-N 3.38Å; G1760-Q1762 WeakPolarHBondContact O-CA 3.23Å; G1760-Q1762 WeakPolarHBondContact O-CG 3.31Å; G1760-Q1762 PolarHBondContact O-N 3.43Å | ||
| 1761 | L | 52.2 | Low | 57.3 | Low | 48 Ų | 48 | 78.5 Ų | 78.5 | 25% | 0.251 | 41% | 0.408 | S | S | . | . | trans | -19.9 | 93.8 | -175.8 | -61.2 | 162.1 | 0 | 0 | 0 | 111.8 | K1759 D1766 F1767 | K1759-L1761 PolarHBondContact O-N 3.49Å; L1761-D1766 HydrophobicContact CB-CB 4.27Å; L1761-D1766 HydrophobicContact CD2-CB 3.4Å; L1761-D1766 VanDerWaalsContact CD2-CB 3.4Å; L1761-D1766 HydrophobicContact CG-CB 4.44Å; L1761-F1767 HydrophobicContact CB-CD1 4.33Å; L1761-F1767 HydrophobicContact CB-CD2 4.04Å; L1761-F1767 HydrophobicContact CB-CE1 3.95Å; L1761-F1767 HydrophobicContact CB-CE2 3.63Å; L1761-F1767 HydrophobicContact CB-CG 4.37Å; L1761-F1767 HydrophobicContact CB-CZ 3.58Å; L1761-F1767 HydrophobicContact CD1-CD1 3.73Å; L1761-F1767 HydrophobicContact CD1-CE1 3.53Å; L1761-F1767 HydrophobicContact CD1-CG 4.42Å; L1761-F1767 HydrophobicContact CD1-CZ 4.06Å; L1761-F1767 HydrophobicContact CG-CE1 4.38Å; L1761-F1767 HydrophobicContact CG-CZ 4.47Å; L1761-F1767 VanDerWaalsContact O-CE2 3.25Å; L1761-F1767 WeakPolarHBondContact O-CE2 3.48Å | ||
| 1762 | Q | 58.8 | Low | 58.4 | Low | 133 Ų | 133 | 82.2 Ų | 82.2 | 62% | 0.621 | 42% | 0.422 | S | S | * | . | trans | -93.6 | -8.6 | -169.9 | -63.9 | -166.9 | -24.1 | 0 | 0 | 112.3 | G1760 Y1787 | G1760-Q1762 WeakPolarHBondContact O-CA 3.23Å; G1760-Q1762 WeakPolarHBondContact O-CG 3.31Å; G1760-Q1762 PolarHBondContact O-N 3.43Å; Q1762-Y1787 VanDerWaalsContact O-CE2 3.3Å; Q1762-Y1787 WeakPolarHBondContact O-CE2 3.34Å; Q1762-Y1787 PolarHBondContact O-OH 3.34Å | ||
| 1763 | S | 67.8 | Low | 59.5 | Low | 37 Ų | 37 | 79.6 Ų | 79.6 | 26% | 0.259 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -130.4 | 155.2 | -177.5 | 83.4 | 0 | 0 | 0 | 0 | 112.1 | Q1765 D1766 F1767 | S1763-Q1765 PolarHBondContact O-N 2.96Å; S1763-Q1765 PolarHBondContact OG-N 3.44Å; S1763-D1766 WeakPolarHBondContact CB-OD2 3.28Å; S1763-D1766 PolarHBondContact N-OD2 3.13Å; S1763-D1766 PolarHBondContact O-N 3.07Å; S1763-D1766 PolarHBondContact OG-N 3.28Å; S1763-D1766 PolarHBondContact OG-OD1 3.25Å; S1763-D1766 PolarHBondContact OG-OD2 3.01Å; S1763-F1767 WeakPolarHBondContact O-CD2 3.48Å; S1763-F1767 PolarHBondContact O-N 3.23Å |
| 1764 | T | 78.6 | Confident | 61.2 | Low | 55 Ų | 55 | 75.1 Ų | 75.1 | 34% | 0.337 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.2 | -31.1 | 175.4 | 55 | 0 | 0 | 0 | 0 | 112.5 | D1766 F1767 D1768 Y1784 Y1787 F1788 | T1764-D1766 VanDerWaalsContact C-N 3.35Å; T1764-F1767 PolarHBondContact O-N 3.44Å; T1764-D1768 PolarHBondContact O-N 2.99Å; T1764-Y1784 VanDerWaalsContact CB-OH 3.32Å; T1764-Y1784 WeakPolarHBondContact CB-OH 3.46Å; T1764-Y1784 HydrophobicContact CG2-CE2 4.26Å; T1764-Y1784 PolarHBondContact O-OH 2.61Å; T1764-Y1787 HydrophobicContact CG2-CE1 4.01Å; T1764-F1788 HydrophobicContact CG2-CE1 3.9Å; T1764-F1788 HydrophobicContact CG2-CE2 4.49Å; T1764-F1788 HydrophobicContact CG2-CZ 3.5Å |
| 1765 | Q | 75.9 | Confident | 63.3 | Low | 121 Ų | 121 | 73.6 Ų | 73.6 | 57% | 0.565 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -67.1 | -36.6 | 179.3 | -64.2 | -175.7 | 9.2 | 0 | 0 | 111.9 | S1763 D1768 R1769 | S1763-Q1765 PolarHBondContact O-N 2.96Å; S1763-Q1765 PolarHBondContact OG-N 3.44Å; Q1765-D1768 PolarHBondContact O-N 2.79Å; Q1765-R1769 WeakPolarHBondContact O-CG 3.23Å; Q1765-R1769 PolarHBondContact O-N 3.15Å |
| 1766 | D | 73.3 | Confident | 65.5 | Low | 29 Ų | 29 | 69.6 Ų | 69.6 | 16% | 0.155 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.8 | -42.1 | -179.9 | -50.2 | -39.1 | 0 | 0 | 0 | 110.5 | L1761 S1763 T1764 R1769 A1770 | L1761-D1766 HydrophobicContact CB-CB 4.27Å; L1761-D1766 HydrophobicContact CD2-CB 3.4Å; L1761-D1766 VanDerWaalsContact CD2-CB 3.4Å; L1761-D1766 HydrophobicContact CG-CB 4.44Å; S1763-D1766 WeakPolarHBondContact CB-OD2 3.28Å; S1763-D1766 PolarHBondContact N-OD2 3.13Å; S1763-D1766 PolarHBondContact O-N 3.07Å; S1763-D1766 PolarHBondContact OG-N 3.28Å; S1763-D1766 PolarHBondContact OG-OD1 3.25Å; S1763-D1766 PolarHBondContact OG-OD2 3.01Å; T1764-D1766 VanDerWaalsContact C-N 3.35Å; D1766-R1769 PolarHBondContact O-N 3.15Å; D1766-A1770 PolarHBondContact O-N 2.9Å |
| 1767 | F | 82.5 | Confident | 67.9 | Low | 8 Ų | 8 | 66.5 Ų | 66.5 | 4% | 0.035 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 173.1 | -77 | -73.6 | 0 | 0 | 0 | 112.4 | L1761 S1763 T1764 R1769 A1770 L1771 R1783 Y1784 Y1787 | L1761-F1767 HydrophobicContact CB-CD1 4.33Å; L1761-F1767 HydrophobicContact CB-CD2 4.04Å; L1761-F1767 HydrophobicContact CB-CE1 3.95Å; L1761-F1767 HydrophobicContact CB-CE2 3.63Å; L1761-F1767 HydrophobicContact CB-CG 4.37Å; L1761-F1767 HydrophobicContact CB-CZ 3.58Å; L1761-F1767 HydrophobicContact CD1-CD1 3.73Å; L1761-F1767 HydrophobicContact CD1-CE1 3.53Å; L1761-F1767 HydrophobicContact CD1-CG 4.42Å; L1761-F1767 HydrophobicContact CD1-CZ 4.06Å; L1761-F1767 HydrophobicContact CG-CE1 4.38Å; L1761-F1767 HydrophobicContact CG-CZ 4.47Å; L1761-F1767 VanDerWaalsContact O-CE2 3.25Å; L1761-F1767 WeakPolarHBondContact O-CE2 3.48Å; S1763-F1767 WeakPolarHBondContact O-CD2 3.48Å; S1763-F1767 PolarHBondContact O-N 3.23Å; T1764-F1767 PolarHBondContact O-N 3.44Å; F1767-R1769 VanDerWaalsContact C-N 3.33Å; F1767-R1769 PolarHBondContact O-N 2.86Å; F1767-A1770 PolarHBondContact O-N 2.86Å; F1767-L1771 VanDerWaalsContact O-CB 3.31Å; F1767-L1771 WeakPolarHBondContact O-CB 3.44Å; F1767-L1771 VanDerWaalsContact O-CG 3.26Å; F1767-L1771 WeakPolarHBondContact O-CG 3.45Å; F1767-L1771 PolarHBondContact O-N 3.22Å; F1767-R1783 HydrophobicContact CE1-CB 4.04Å; F1767-Y1784 HydrophobicContact CB-CD1 3.73Å; F1767-Y1784 HydrophobicContact CB-CD2 3.57Å; F1767-Y1784 HydrophobicContact CB-CE1 3.75Å; F1767-Y1784 HydrophobicContact CB-CE2 3.62Å; F1767-Y1784 HydrophobicContact CB-CG 3.62Å; F1767-Y1784 VanDerWaalsContact CD1-CB 3.5Å; F1767-Y1784 AromaticContact CD1-CD2 3.87Å; F1767-Y1784 HydrophobicContact CD1-CD2 3.87Å; F1767-Y1784 AromaticContact CD1-CG 3.75Å; F1767-Y1784 HydrophobicContact CD1-CG 3.75Å; F1767-Y1784 AromaticContact CD2-CD2 3.4Å; F1767-Y1784 HydrophobicContact CD2-CD2 3.4Å; F1767-Y1784 VanDerWaalsContact CD2-CD2 3.4Å; F1767-Y1784 AromaticContact CD2-CE2 3.68Å; F1767-Y1784 HydrophobicContact CD2-CE2 3.68Å; F1767-Y1784 HydrophobicContact CD2-CG 4.14Å; F1767-Y1784 HydrophobicContact CE1-CD2 4.4Å; F1767-Y1784 HydrophobicContact CE1-CG 4.43Å; F1767-Y1784 HydrophobicContact CE2-CD2 4.01Å; F1767-Y1784 HydrophobicContact CG-CD1 4.21Å; F1767-Y1784 AromaticContact CG-CD2 3.33Å; F1767-Y1784 HydrophobicContact CG-CD2 3.33Å; F1767-Y1784 AromaticContact CG-CE2 3.78Å; F1767-Y1784 HydrophobicContact CG-CE2 3.78Å; F1767-Y1784 AromaticContact CG-CG 3.57Å; F1767-Y1784 HydrophobicContact CG-CG 3.57Å; F1767-Y1784 HydrophobicContact CZ-CD2 4.46Å; F1767-Y1787 HydrophobicContact CD2-CD1 4.3Å; F1767-Y1787 HydrophobicContact CD2-CG 4.28Å; F1767-Y1787 AromaticContact CE2-CD1 3.93Å; F1767-Y1787 HydrophobicContact CE2-CD1 3.93Å; F1767-Y1787 AromaticContact CE2-CD2 3.82Å; F1767-Y1787 HydrophobicContact CE2-CD2 3.82Å; F1767-Y1787 AromaticContact CE2-CG 3.48Å; F1767-Y1787 HydrophobicContact CE2-CG 3.48Å; F1767-Y1787 VanDerWaalsContact CE2-CG 3.48Å; F1767-Y1787 HydrophobicContact CZ-CG 4.14Å |
| 1768 | D | 79.1 | Confident | 70.1 | Confident | 66 Ų | 66 | 64.4 Ų | 64.4 | 35% | 0.353 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 179 | -78.7 | -39.2 | 0 | 0 | 0 | 111.8 | T1764 Q1765 F1772 K1803 | T1764-D1768 PolarHBondContact O-N 2.99Å; Q1765-D1768 PolarHBondContact O-N 2.79Å; D1768-F1772 PolarHBondContact O-N 2.93Å; D1768-K1803 IonicContact OD1-NZ 3.87Å; D1768-K1803 PolarHBondContact OD1-NZ 2.94Å |
| 1769 | R | 72.7 | Confident | 72.3 | Confident | 128 Ų | 128 | 62.3 Ų | 62.3 | 48% | 0.483 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.7 | -46.7 | 173.7 | -71.5 | -179.8 | -155.3 | -172.8 | 5.5 | 112.4 | Q1765 D1766 F1767 L1771 F1772 A1773 | Q1765-R1769 WeakPolarHBondContact O-CG 3.23Å; Q1765-R1769 PolarHBondContact O-N 3.15Å; D1766-R1769 PolarHBondContact O-N 3.15Å; F1767-R1769 VanDerWaalsContact C-N 3.33Å; F1767-R1769 PolarHBondContact O-N 2.86Å; R1769-L1771 VanDerWaalsContact C-N 3.3Å; R1769-L1771 PolarHBondContact O-N 3.18Å; R1769-F1772 WeakPolarHBondContact O-CB 3.37Å; R1769-F1772 PolarHBondContact O-N 2.89Å; R1769-A1773 PolarHBondContact O-N 2.95Å |
| 1770 | A | 71.7 | Confident | 74.6 | Confident | 22 Ų | 22 | 55.9 Ų | 55.9 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.7 | -40 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1766 F1767 A1773 S1774 L1780 | D1766-A1770 PolarHBondContact O-N 2.9Å; F1767-A1770 PolarHBondContact O-N 2.86Å; A1770-A1773 PolarHBondContact O-N 3.24Å; A1770-S1774 PolarHBondContact O-N 2.94Å; A1770-L1780 HydrophobicContact CB-CD1 4.39Å; A1770-L1780 HydrophobicContact CB-CD2 4.34Å |
| 1771 | L | 83.7 | Confident | 76.9 | Confident | 9 Ų | 9 | 54 Ų | 54 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.2 | -26.1 | 177.4 | -73 | 170.1 | 0 | 0 | 0 | 113.3 | F1767 R1769 A1773 S1774 P1775 L1780 W1781 Y1784 | F1767-L1771 VanDerWaalsContact O-CB 3.31Å; F1767-L1771 WeakPolarHBondContact O-CB 3.44Å; F1767-L1771 VanDerWaalsContact O-CG 3.26Å; F1767-L1771 WeakPolarHBondContact O-CG 3.45Å; F1767-L1771 PolarHBondContact O-N 3.22Å; R1769-L1771 VanDerWaalsContact C-N 3.3Å; R1769-L1771 PolarHBondContact O-N 3.18Å; L1771-A1773 VanDerWaalsContact C-N 3.34Å; L1771-S1774 CarbonylContact O-C 3.57Å; L1771-P1775 WeakPolarHBondContact O-CA 3.34Å; L1771-P1775 WeakPolarHBondContact O-CB 3.39Å; L1771-P1775 WeakPolarHBondContact O-CD 3.41Å; L1771-P1775 VanDerWaalsContact O-N 3.07Å; L1771-L1780 HydrophobicContact CD2-CB 3.67Å; L1771-L1780 HydrophobicContact CD2-CD1 4.43Å; L1771-L1780 HydrophobicContact CG-CB 4.48Å; L1771-W1781 HydrophobicContact CB-CZ2 4.41Å; L1771-W1781 HydrophobicContact CD1-CD2 3.88Å; L1771-W1781 HydrophobicContact CD1-CE3 3.55Å; L1771-W1781 HydrophobicContact CD1-CH2 3.7Å; L1771-W1781 HydrophobicContact CD1-CZ2 4.01Å; L1771-W1781 HydrophobicContact CD1-CZ3 3.47Å; L1771-W1781 VanDerWaalsContact CD1-CZ3 3.47Å; L1771-W1781 HydrophobicContact CD2-CD2 3.56Å; L1771-W1781 VanDerWaalsContact CD2-CE2 3.42Å; L1771-W1781 HydrophobicContact CD2-CE3 4.15Å; L1771-W1781 HydrophobicContact CD2-CG 3.83Å; L1771-W1781 HydrophobicContact CD2-CH2 4.43Å; L1771-W1781 HydrophobicContact CD2-CZ2 3.88Å; L1771-W1781 HydrophobicContact CG-CD2 4.36Å; L1771-W1781 HydrophobicContact CG-CE3 4.5Å; L1771-W1781 HydrophobicContact CG-CH2 4.47Å; L1771-W1781 HydrophobicContact CG-CZ2 4.33Å; L1771-Y1784 HydrophobicContact CD1-CD1 3.6Å; L1771-Y1784 HydrophobicContact CD1-CE1 4.14Å |
| 1772 | F | 71.3 | Confident | 78.7 | Confident | 186 Ų | 186 | 53.8 Ų | 53.8 | 82% | 0.816 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.2 | -40.9 | 170.6 | -168.7 | -91.5 | 0 | 0 | 0 | 111.5 | D1768 R1769 | D1768-F1772 PolarHBondContact O-N 2.93Å; R1769-F1772 WeakPolarHBondContact O-CB 3.37Å; R1769-F1772 PolarHBondContact O-N 2.89Å |
| 1773 | A | 67.1 | Low | 79.8 | Confident | 53 Ų | 53 | 52.1 Ų | 52.1 | 44% | 0.438 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -73.5 | -39 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | R1769 A1770 L1771 | R1769-A1773 PolarHBondContact O-N 2.95Å; A1770-A1773 PolarHBondContact O-N 3.24Å; L1771-A1773 VanDerWaalsContact C-N 3.34Å |
| 1774 | S | 76.3 | Confident | 81 | Confident | 43 Ų | 43 | 51 Ų | 51 | 30% | 0.301 | 27% | 0.271 | S | S | . | . | trans | -132.2 | 65.6 | -175.9 | -71.3 | 0 | 0 | 0 | 0 | 113.1 | A1770 L1771 N1776 S1777 | A1770-S1774 PolarHBondContact O-N 2.94Å; L1771-S1774 CarbonylContact O-C 3.57Å; S1774-N1776 PolarHBondContact O-N 3.44Å; S1774-S1777 PolarHBondContact O-N 3.41Å | ||
| 1775 | P | 84.1 | Confident | 81.6 | Confident | 43 Ų | 43 | 48.6 Ų | 48.6 | 28% | 0.279 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.4 | -172.5 | 23.2 | -33.4 | 0 | 0 | 0 | 114.4 | L1771 W1781 T1807 I1808 | L1771-P1775 WeakPolarHBondContact O-CA 3.34Å; L1771-P1775 WeakPolarHBondContact O-CB 3.39Å; L1771-P1775 WeakPolarHBondContact O-CD 3.41Å; L1771-P1775 VanDerWaalsContact O-N 3.07Å; P1775-W1781 PolarHBondContact O-NE1 3.46Å; P1775-T1807 HydrophobicContact CB-CG2 3.77Å; P1775-I1808 WeakPolarHBondContact O-CG1 3.36Å |
| 1776 | N | 84.5 | Confident | 82.1 | Confident | 45 Ų | 45 | 44.8 Ų | 44.8 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -4.2 | -176.5 | -70.7 | -52.7 | 0 | 0 | 0 | 114.7 | S1774 S1778 L1809 E1815 | S1774-N1776 PolarHBondContact O-N 3.44Å; N1776-S1778 PolarHBondContact O-N 3.27Å; N1776-L1809 WeakPolarHBondContact OD1-CB 3.32Å; N1776-L1809 WeakPolarHBondContact OD1-CG 3.32Å; N1776-L1809 PolarHBondContact OD1-N 2.98Å; N1776-E1815 WeakPolarHBondContact O-CG 3.45Å |
| 1777 | S | 86.5 | Confident | 82.7 | Confident | 34 Ų | 34 | 45.3 Ų | 45.3 | 24% | 0.238 | 25% | 0.246 | C | C | . | . | trans | -83.5 | 111.6 | -175.9 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | S1774 A1779 L1780 W1781 | S1774-S1777 PolarHBondContact O-N 3.41Å; S1777-A1779 PolarHBondContact O-N 3.46Å; S1777-L1780 PolarHBondContact O-N 2.79Å; S1777-L1780 PolarHBondContact OG-N 3.09Å; S1777-W1781 PolarHBondContact O-N 3.15Å | ||
| 1778 | S | 87.5 | Confident | 83 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 5% | 0.049 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64 | -28.8 | 175.2 | 61.4 | 0 | 0 | 0 | 0 | 113 | N1776 W1781 T1782 E1815 N1818 | N1776-S1778 PolarHBondContact O-N 3.27Å; S1778-W1781 PolarHBondContact O-N 2.73Å; S1778-T1782 WeakPolarHBondContact O-CB 3.39Å; S1778-T1782 WeakPolarHBondContact O-CG2 3.46Å; S1778-T1782 PolarHBondContact O-N 2.94Å; S1778-T1782 PolarHBondContact O-OG1 3.41Å; S1778-E1815 WeakPolarHBondContact CB-O 3Å; S1778-E1815 WeakPolarHBondContact CB-OE2 3.16Å; S1778-E1815 PolarHBondContact N-OE2 3.26Å; S1778-E1815 PolarHBondContact OG-OE2 3.11Å; S1778-N1818 WeakPolarHBondContact OG-CB 3.5Å; S1778-N1818 PolarHBondContact OG-ND2 2.77Å |
| 1779 | A | 83 | Confident | 83.2 | Confident | 49 Ų | 49 | 44.2 Ų | 44.2 | 41% | 0.405 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1777 T1782 R1783 | S1777-A1779 PolarHBondContact O-N 3.46Å; A1779-T1782 WeakPolarHBondContact CA-OG1 3.41Å; A1779-T1782 PolarHBondContact O-N 3.26Å; A1779-T1782 PolarHBondContact O-OG1 2.79Å; A1779-R1783 WeakPolarHBondContact O-CG 3.2Å; A1779-R1783 PolarHBondContact O-N 3.41Å |
| 1780 | L | 85.1 | Confident | 83.6 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 7% | 0.068 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 176.3 | -74.2 | 176.2 | 0 | 0 | 0 | 111.6 | V24 A1770 L1771 S1777 R1783 Y1784 | V24-L1780 HydrophobicContact CG1-CD1 4.22Å; V24-L1780 HydrophobicContact CG1-CD2 4.32Å; V24-L1780 HydrophobicContact CG2-CD1 4.33Å; A1770-L1780 HydrophobicContact CB-CD1 4.39Å; A1770-L1780 HydrophobicContact CB-CD2 4.34Å; L1771-L1780 HydrophobicContact CD2-CB 3.67Å; L1771-L1780 HydrophobicContact CD2-CD1 4.43Å; L1771-L1780 HydrophobicContact CG-CB 4.48Å; S1777-L1780 PolarHBondContact O-N 2.79Å; S1777-L1780 PolarHBondContact OG-N 3.09Å; L1780-R1783 PolarHBondContact O-N 2.94Å; L1780-Y1784 PolarHBondContact O-N 2.83Å |
| 1781 | W | 93.5 | Very high | 84.2 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.7 | -42 | 177.3 | -74.8 | 114.6 | 0 | 0 | 0 | 112.6 | L1771 P1775 S1777 S1778 Y1784 M1785 V1800 K1803 A1804 T1807 I1819 | L1771-W1781 HydrophobicContact CB-CZ2 4.41Å; L1771-W1781 HydrophobicContact CD1-CD2 3.88Å; L1771-W1781 HydrophobicContact CD1-CE3 3.55Å; L1771-W1781 HydrophobicContact CD1-CH2 3.7Å; L1771-W1781 HydrophobicContact CD1-CZ2 4.01Å; L1771-W1781 HydrophobicContact CD1-CZ3 3.47Å; L1771-W1781 VanDerWaalsContact CD1-CZ3 3.47Å; L1771-W1781 HydrophobicContact CD2-CD2 3.56Å; L1771-W1781 VanDerWaalsContact CD2-CE2 3.42Å; L1771-W1781 HydrophobicContact CD2-CE3 4.15Å; L1771-W1781 HydrophobicContact CD2-CG 3.83Å; L1771-W1781 HydrophobicContact CD2-CH2 4.43Å; L1771-W1781 HydrophobicContact CD2-CZ2 3.88Å; L1771-W1781 HydrophobicContact CG-CD2 4.36Å; L1771-W1781 HydrophobicContact CG-CE3 4.5Å; L1771-W1781 HydrophobicContact CG-CH2 4.47Å; L1771-W1781 HydrophobicContact CG-CZ2 4.33Å; P1775-W1781 PolarHBondContact O-NE1 3.46Å; S1777-W1781 PolarHBondContact O-N 3.15Å; S1778-W1781 PolarHBondContact O-N 2.73Å; W1781-Y1784 HydrophobicContact CZ3-CD1 4.49Å; W1781-Y1784 PolarHBondContact O-N 3.38Å; W1781-M1785 WeakPolarHBondContact O-CG 3.26Å; W1781-M1785 PolarHBondContact O-N 2.83Å; W1781-V1800 HydrophobicContact CE3-CG1 3.75Å; W1781-V1800 HydrophobicContact CZ3-CG1 4.16Å; W1781-K1803 HydrophobicContact CH2-CB 4.31Å; W1781-K1803 HydrophobicContact CH2-CD 3.83Å; W1781-K1803 HydrophobicContact CH2-CG 3.75Å; W1781-K1803 HydrophobicContact CZ3-CB 4.09Å; W1781-K1803 HydrophobicContact CZ3-CD 3.89Å; W1781-K1803 HydrophobicContact CZ3-CG 3.96Å; W1781-A1804 HydrophobicContact CB-CB 3.67Å; W1781-A1804 HydrophobicContact CD2-CB 3.32Å; W1781-A1804 HydrophobicContact CE3-CB 3.67Å; W1781-A1804 HydrophobicContact CG-CB 3.31Å; W1781-A1804 HydrophobicContact CZ3-CB 4.43Å; W1781-T1807 HydrophobicContact CZ2-CG2 3.96Å; W1781-I1819 HydrophobicContact CB-CD1 3.62Å; W1781-I1819 HydrophobicContact CG-CD1 4.44Å |
| 1782 | T | 89.3 | Confident | 84.3 | Confident | 45 Ų | 45 | 55.8 Ų | 55.8 | 28% | 0.276 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69 | -36.3 | 177.9 | 47.2 | 0 | 0 | 0 | 0 | 112.6 | S1778 A1779 Y1784 M1785 A1786 I1819 A1822 | S1778-T1782 WeakPolarHBondContact O-CB 3.39Å; S1778-T1782 WeakPolarHBondContact O-CG2 3.46Å; S1778-T1782 PolarHBondContact O-N 2.94Å; S1778-T1782 PolarHBondContact O-OG1 3.41Å; A1779-T1782 WeakPolarHBondContact CA-OG1 3.41Å; A1779-T1782 PolarHBondContact O-N 3.26Å; A1779-T1782 PolarHBondContact O-OG1 2.79Å; T1782-Y1784 VanDerWaalsContact C-N 3.32Å; T1782-M1785 WeakPolarHBondContact O-CB 3.08Å; T1782-M1785 PolarHBondContact O-N 2.92Å; T1782-A1786 WeakPolarHBondContact O-CB 3.28Å; T1782-A1786 PolarHBondContact O-N 3.06Å; T1782-I1819 HydrophobicContact CG2-CD1 3.99Å; T1782-A1822 HydrophobicContact CG2-CB 3.52Å |
| 1783 | R | 83.2 | Confident | 85.1 | Confident | 98 Ų | 98 | 48.9 Ų | 48.9 | 37% | 0.37 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 169.2 | -72.8 | 177.6 | 88 | 178.2 | 7.4 | 111.8 | M27 F1767 A1779 L1780 M1785 A1786 Y1787 | M27-R1783 VanDerWaalsContact CE-NH1 3.27Å; M27-R1783 PolarHBondContact SD-NH1 2.76Å; M27-R1783 VanDerWaalsContact SD-NH1 3.45Å; F1767-R1783 HydrophobicContact CE1-CB 4.04Å; A1779-R1783 WeakPolarHBondContact O-CG 3.2Å; A1779-R1783 PolarHBondContact O-N 3.41Å; L1780-R1783 PolarHBondContact O-N 2.94Å; R1783-M1785 VanDerWaalsContact C-N 3.34Å; R1783-A1786 PolarHBondContact O-N 3.39Å; R1783-Y1787 PolarHBondContact O-N 2.97Å |
| 1784 | Y | 91.7 | Very high | 86.3 | Confident | 12 Ų | 12 | 47.7 Ų | 47.7 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.4 | -35.7 | 176.4 | -166.2 | -168.7 | 0 | 0 | 0 | 112.3 | T1764 F1767 L1771 L1780 W1781 T1782 Y1787 F1788 V1800 | T1764-Y1784 VanDerWaalsContact CB-OH 3.32Å; T1764-Y1784 WeakPolarHBondContact CB-OH 3.46Å; T1764-Y1784 HydrophobicContact CG2-CE2 4.26Å; T1764-Y1784 PolarHBondContact O-OH 2.61Å; F1767-Y1784 HydrophobicContact CB-CD1 3.73Å; F1767-Y1784 HydrophobicContact CB-CD2 3.57Å; F1767-Y1784 HydrophobicContact CB-CE1 3.75Å; F1767-Y1784 HydrophobicContact CB-CE2 3.62Å; F1767-Y1784 HydrophobicContact CB-CG 3.62Å; F1767-Y1784 VanDerWaalsContact CD1-CB 3.5Å; F1767-Y1784 AromaticContact CD1-CD2 3.87Å; F1767-Y1784 HydrophobicContact CD1-CD2 3.87Å; F1767-Y1784 AromaticContact CD1-CG 3.75Å; F1767-Y1784 HydrophobicContact CD1-CG 3.75Å; F1767-Y1784 AromaticContact CD2-CD2 3.4Å; F1767-Y1784 HydrophobicContact CD2-CD2 3.4Å; F1767-Y1784 VanDerWaalsContact CD2-CD2 3.4Å; F1767-Y1784 AromaticContact CD2-CE2 3.68Å; F1767-Y1784 HydrophobicContact CD2-CE2 3.68Å; F1767-Y1784 HydrophobicContact CD2-CG 4.14Å; F1767-Y1784 HydrophobicContact CE1-CD2 4.4Å; F1767-Y1784 HydrophobicContact CE1-CG 4.43Å; F1767-Y1784 HydrophobicContact CE2-CD2 4.01Å; F1767-Y1784 HydrophobicContact CG-CD1 4.21Å; F1767-Y1784 AromaticContact CG-CD2 3.33Å; F1767-Y1784 HydrophobicContact CG-CD2 3.33Å; F1767-Y1784 AromaticContact CG-CE2 3.78Å; F1767-Y1784 HydrophobicContact CG-CE2 3.78Å; F1767-Y1784 AromaticContact CG-CG 3.57Å; F1767-Y1784 HydrophobicContact CG-CG 3.57Å; F1767-Y1784 HydrophobicContact CZ-CD2 4.46Å; L1771-Y1784 HydrophobicContact CD1-CD1 3.6Å; L1771-Y1784 HydrophobicContact CD1-CE1 4.14Å; L1780-Y1784 PolarHBondContact O-N 2.83Å; W1781-Y1784 HydrophobicContact CZ3-CD1 4.49Å; W1781-Y1784 PolarHBondContact O-N 3.38Å; T1782-Y1784 VanDerWaalsContact C-N 3.32Å; Y1784-Y1787 HydrophobicContact CD2-CD1 4.19Å; Y1784-Y1787 HydrophobicContact CE2-CD1 4.21Å; Y1784-F1788 HydrophobicContact CD2-CD2 4.04Å; Y1784-F1788 AromaticContact CD2-CE2 3.74Å; Y1784-F1788 HydrophobicContact CD2-CE2 3.74Å; Y1784-F1788 AromaticContact CE2-CD2 3.95Å; Y1784-F1788 HydrophobicContact CE2-CD2 3.95Å; Y1784-F1788 AromaticContact CE2-CE2 3.2Å; Y1784-F1788 HydrophobicContact CE2-CE2 3.2Å; Y1784-F1788 AromaticContact CE2-CZ 3.77Å; Y1784-F1788 HydrophobicContact CE2-CZ 3.77Å; Y1784-F1788 AromaticContact CZ-CE2 3.69Å; Y1784-F1788 WeakPolarHBondContact O-CD2 3.32Å; Y1784-F1788 PolarHBondContact O-N 3.19Å; Y1784-V1800 HydrophobicContact CD1-CB 4.49Å; Y1784-V1800 HydrophobicContact CD1-CG1 3.6Å; Y1784-V1800 HydrophobicContact CD1-CG2 3.94Å; Y1784-V1800 HydrophobicContact CD2-CG2 4.49Å; Y1784-V1800 HydrophobicContact CE1-CG1 4.44Å; Y1784-V1800 HydrophobicContact CE1-CG2 4.06Å; Y1784-V1800 HydrophobicContact CG-CG1 3.8Å; Y1784-V1800 HydrophobicContact CG-CG2 4.2Å |
| 1785 | M | 90.6 | Very high | 86.9 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.03 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 169.4 | -65.6 | 173.2 | 64.3 | 0 | 0 | 111.2 | W1781 T1782 R1783 Y1787 F1788 L1789 A1797 V1800 G1801 A1822 L1823 L1826 | W1781-M1785 WeakPolarHBondContact O-CG 3.26Å; W1781-M1785 PolarHBondContact O-N 2.83Å; T1782-M1785 WeakPolarHBondContact O-CB 3.08Å; T1782-M1785 PolarHBondContact O-N 2.92Å; R1783-M1785 VanDerWaalsContact C-N 3.34Å; M1785-Y1787 VanDerWaalsContact C-N 3.33Å; M1785-Y1787 PolarHBondContact O-N 3.43Å; M1785-F1788 PolarHBondContact O-N 3.32Å; M1785-L1789 WeakPolarHBondContact O-CG 3.3Å; M1785-L1789 PolarHBondContact O-N 3.04Å; M1785-A1797 HydrophobicContact CB-CB 4.43Å; M1785-A1797 WeakPolarHBondContact CG-O 3.47Å; M1785-A1797 WeakPolarHBondContact O-CB 3.35Å; M1785-V1800 HydrophobicContact CG-CB 4.06Å; M1785-V1800 HydrophobicContact CG-CG1 3.78Å; M1785-G1801 VanDerWaalsContact SD-CA 3.51Å; M1785-A1822 HydrophobicContact CE-CB 4.16Å; M1785-A1822 HydrophobicContact SD-CB 4.16Å; M1785-L1823 HydrophobicContact CE-CD2 3.9Å; M1785-L1823 HydrophobicContact CE-CG 4.25Å; M1785-L1826 HydrophobicContact CE-CD1 3.7Å |
| 1786 | A | 86.3 | Confident | 87.1 | Confident | 40 Ų | 40 | 54 Ų | 54 | 33% | 0.331 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1782 R1783 F1788 L1789 E1790 | T1782-A1786 WeakPolarHBondContact O-CB 3.28Å; T1782-A1786 PolarHBondContact O-N 3.06Å; R1783-A1786 PolarHBondContact O-N 3.39Å; A1786-F1788 VanDerWaalsContact C-N 3.34Å; A1786-F1788 PolarHBondContact O-N 3.24Å; A1786-L1789 CarbonylContact O-C 3.6Å; A1786-L1789 WeakPolarHBondContact O-CA 3.27Å; A1786-L1789 WeakPolarHBondContact O-CB 3.48Å; A1786-L1789 PolarHBondContact O-N 2.86Å; A1786-E1790 WeakPolarHBondContact O-CG 3.48Å; A1786-E1790 PolarHBondContact O-N 3.49Å |
| 1787 | Y | 87.5 | Confident | 87.4 | Confident | 40 Ų | 40 | 51.9 Ų | 51.9 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.9 | -45.1 | 174.1 | 168 | -98.5 | 0 | 0 | 0 | 112.5 | Q1762 T1764 F1767 R1783 Y1784 M1785 E1790 L1791 | Q1762-Y1787 VanDerWaalsContact O-CE2 3.3Å; Q1762-Y1787 WeakPolarHBondContact O-CE2 3.34Å; Q1762-Y1787 PolarHBondContact O-OH 3.34Å; T1764-Y1787 HydrophobicContact CG2-CE1 4.01Å; F1767-Y1787 HydrophobicContact CD2-CD1 4.3Å; F1767-Y1787 HydrophobicContact CD2-CG 4.28Å; F1767-Y1787 AromaticContact CE2-CD1 3.93Å; F1767-Y1787 HydrophobicContact CE2-CD1 3.93Å; F1767-Y1787 AromaticContact CE2-CD2 3.82Å; F1767-Y1787 HydrophobicContact CE2-CD2 3.82Å; F1767-Y1787 AromaticContact CE2-CG 3.48Å; F1767-Y1787 HydrophobicContact CE2-CG 3.48Å; F1767-Y1787 VanDerWaalsContact CE2-CG 3.48Å; F1767-Y1787 HydrophobicContact CZ-CG 4.14Å; R1783-Y1787 PolarHBondContact O-N 2.97Å; Y1784-Y1787 HydrophobicContact CD2-CD1 4.19Å; Y1784-Y1787 HydrophobicContact CE2-CD1 4.21Å; M1785-Y1787 VanDerWaalsContact C-N 3.33Å; M1785-Y1787 PolarHBondContact O-N 3.43Å; Y1787-E1790 PolarHBondContact O-N 3.39Å; Y1787-L1791 HydrophobicContact CD1-CD1 4.28Å; Y1787-L1791 HydrophobicContact CE1-CD1 3.61Å; Y1787-L1791 HydrophobicContact CE2-CD1 4.18Å; Y1787-L1791 WeakPolarHBondContact O-CG 3.34Å; Y1787-L1791 PolarHBondContact O-N 3.4Å |
| 1788 | F | 89.3 | Confident | 87.8 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 5% | 0.053 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.8 | -31 | 175.5 | -76.8 | -61.6 | 0 | 0 | 0 | 112.9 | T1764 Y1784 M1785 A1786 L1791 N1792 D1793 K1796 A1797 V1800 | T1764-F1788 HydrophobicContact CG2-CE1 3.9Å; T1764-F1788 HydrophobicContact CG2-CE2 4.49Å; T1764-F1788 HydrophobicContact CG2-CZ 3.5Å; Y1784-F1788 HydrophobicContact CD2-CD2 4.04Å; Y1784-F1788 AromaticContact CD2-CE2 3.74Å; Y1784-F1788 HydrophobicContact CD2-CE2 3.74Å; Y1784-F1788 AromaticContact CE2-CD2 3.95Å; Y1784-F1788 HydrophobicContact CE2-CD2 3.95Å; Y1784-F1788 AromaticContact CE2-CE2 3.2Å; Y1784-F1788 HydrophobicContact CE2-CE2 3.2Å; Y1784-F1788 AromaticContact CE2-CZ 3.77Å; Y1784-F1788 HydrophobicContact CE2-CZ 3.77Å; Y1784-F1788 AromaticContact CZ-CE2 3.69Å; Y1784-F1788 WeakPolarHBondContact O-CD2 3.32Å; Y1784-F1788 PolarHBondContact O-N 3.19Å; M1785-F1788 PolarHBondContact O-N 3.32Å; A1786-F1788 VanDerWaalsContact C-N 3.34Å; A1786-F1788 PolarHBondContact O-N 3.24Å; F1788-L1791 HydrophobicContact CD1-CD1 4.36Å; F1788-L1791 CarbonylContact O-C 3.57Å; F1788-L1791 PolarHBondContact O-N 3.45Å; F1788-N1792 PolarHBondContact O-N 3.46Å; F1788-D1793 HydrophobicContact CD1-CB 4.37Å; F1788-D1793 WeakPolarHBondContact O-CA 3.4Å; F1788-D1793 PolarHBondContact O-N 3.17Å; F1788-K1796 HydrophobicContact CB-CB 4.21Å; F1788-K1796 HydrophobicContact CD1-CB 3.65Å; F1788-K1796 HydrophobicContact CD1-CD 3.78Å; F1788-K1796 HydrophobicContact CD1-CG 4.38Å; F1788-K1796 HydrophobicContact CD2-CB 3.96Å; F1788-K1796 HydrophobicContact CE1-CB 3.91Å; F1788-K1796 HydrophobicContact CE1-CD 3.36Å; F1788-K1796 HydrophobicContact CE1-CG 4.29Å; F1788-K1796 HydrophobicContact CE2-CB 4.17Å; F1788-K1796 HydrophobicContact CG-CB 3.68Å; F1788-K1796 HydrophobicContact CZ-CB 4.15Å; F1788-K1796 HydrophobicContact CZ-CD 3.85Å; F1788-A1797 HydrophobicContact CB-CB 3.9Å; F1788-V1800 HydrophobicContact CD2-CG2 3.68Å; F1788-V1800 HydrophobicContact CE2-CG2 3.53Å |
| 1789 | L | 83.1 | Confident | 88 | Confident | 40 Ų | 40 | 55.4 Ų | 55.4 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66 | -38.7 | 172.3 | -67.7 | 174.7 | 0 | 0 | 0 | 112 | M1785 A1786 L1791 N1792 V1794 A1797 L1826 F1830 | M1785-L1789 WeakPolarHBondContact O-CG 3.3Å; M1785-L1789 PolarHBondContact O-N 3.04Å; A1786-L1789 CarbonylContact O-C 3.6Å; A1786-L1789 WeakPolarHBondContact O-CA 3.27Å; A1786-L1789 WeakPolarHBondContact O-CB 3.48Å; A1786-L1789 PolarHBondContact O-N 2.86Å; L1789-L1791 PolarHBondContact O-N 3.02Å; L1789-N1792 WeakPolarHBondContact O-CA 3.19Å; L1789-N1792 PolarHBondContact O-N 3.46Å; L1789-V1794 HydrophobicContact CD2-CB 4.45Å; L1789-V1794 HydrophobicContact CD2-CG1 4.32Å; L1789-V1794 HydrophobicContact CD2-CG2 4.16Å; L1789-A1797 HydrophobicContact CD2-CB 3.89Å; L1789-A1797 HydrophobicContact CG-CB 3.88Å; L1789-L1826 HydrophobicContact CD1-CD1 4.21Å; L1789-L1826 HydrophobicContact CD2-CD1 4.01Å; L1789-L1826 HydrophobicContact CD2-CG 4.2Å; L1789-L1826 HydrophobicContact CG-CD1 4.38Å; L1789-F1830 HydrophobicContact CD1-CE2 4.17Å; L1789-F1830 HydrophobicContact CD2-CD2 3.89Å; L1789-F1830 HydrophobicContact CD2-CE2 3.83Å; L1789-F1830 HydrophobicContact CD2-CZ 4.4Å |
| 1790 | E | 79.7 | Confident | 88.5 | Confident | 160 Ų | 160 | 53.6 Ų | 53.6 | 75% | 0.748 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.9 | -31.5 | 173.4 | -72.9 | 176.3 | -176.5 | 0 | 0 | 112 | A1786 Y1787 N1792 | A1786-E1790 WeakPolarHBondContact O-CG 3.48Å; A1786-E1790 PolarHBondContact O-N 3.49Å; Y1787-E1790 PolarHBondContact O-N 3.39Å; E1790-N1792 PolarHBondContact O-N 2.94Å |
| 1791 | L | 85.3 | Confident | 88.9 | Confident | 101 Ų | 101 | 53 Ų | 53 | 53% | 0.529 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 6.2 | 171.6 | -64.1 | 176.9 | 0 | 0 | 0 | 113.8 | Y1787 F1788 L1789 D1793 | Y1787-L1791 HydrophobicContact CD1-CD1 4.28Å; Y1787-L1791 HydrophobicContact CE1-CD1 3.61Å; Y1787-L1791 HydrophobicContact CE2-CD1 4.18Å; Y1787-L1791 WeakPolarHBondContact O-CG 3.34Å; Y1787-L1791 PolarHBondContact O-N 3.4Å; F1788-L1791 HydrophobicContact CD1-CD1 4.36Å; F1788-L1791 CarbonylContact O-C 3.57Å; F1788-L1791 PolarHBondContact O-N 3.45Å; L1789-L1791 PolarHBondContact O-N 3.02Å; L1791-D1793 PolarHBondContact O-N 3.36Å |
| 1792 | N | 85.1 | Confident | 88.9 | Confident | 140 Ų | 140 | 56.6 Ų | 56.6 | 75% | 0.749 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 22 | -172.1 | -80.4 | -24.3 | 0 | 0 | 0 | 114.6 | F1788 L1789 E1790 V1794 | F1788-N1792 PolarHBondContact O-N 3.46Å; L1789-N1792 WeakPolarHBondContact O-CA 3.19Å; L1789-N1792 PolarHBondContact O-N 3.46Å; E1790-N1792 PolarHBondContact O-N 2.94Å; N1792-V1794 PolarHBondContact O-N 3.4Å |
| 1793 | D | 89.1 | Confident | 89 | Confident | 41 Ų | 41 | 59 Ų | 59 | 22% | 0.219 | 29% | 0.293 | C | S | . | . | trans | -99.5 | 74 | 178.2 | -164.4 | -26.1 | 0 | 0 | 0 | 111 | F1788 L1791 D1795 K1796 A1797 | F1788-D1793 HydrophobicContact CD1-CB 4.37Å; F1788-D1793 WeakPolarHBondContact O-CA 3.4Å; F1788-D1793 PolarHBondContact O-N 3.17Å; L1791-D1793 PolarHBondContact O-N 3.36Å; D1793-D1795 PolarHBondContact O-N 3.44Å; D1793-K1796 HydrophobicContact CB-CB 4.41Å; D1793-K1796 PolarHBondContact O-N 2.88Å; D1793-K1796 WeakPolarHBondContact OD1-CB 3.35Å; D1793-K1796 WeakPolarHBondContact OD1-CG 3.41Å; D1793-K1796 PolarHBondContact OD1-N 3.5Å; D1793-K1796 WeakPolarHBondContact OD2-CD 3.06Å; D1793-K1796 WeakPolarHBondContact OD2-CE 3.46Å; D1793-K1796 WeakPolarHBondContact OD2-CG 3.49Å; D1793-K1796 IonicContact OD2-NZ 3.36Å; D1793-K1796 PolarHBondContact OD2-NZ 3.38Å; D1793-A1797 PolarHBondContact O-N 3.28Å; D1793-A1797 VanDerWaalsContact O-N 3.12Å | ||
| 1794 | V | 90.8 | Very high | 89.5 | Confident | 28 Ų | 28 | 54.3 Ų | 54.3 | 17% | 0.17 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62 | -33.2 | -176.7 | -172.7 | 0 | 0 | 0 | 0 | 111.8 | L1789 N1792 A1797 R1798 L1826 F1830 | L1789-V1794 HydrophobicContact CD2-CB 4.45Å; L1789-V1794 HydrophobicContact CD2-CG1 4.32Å; L1789-V1794 HydrophobicContact CD2-CG2 4.16Å; N1792-V1794 PolarHBondContact O-N 3.4Å; V1794-A1797 PolarHBondContact O-N 3.46Å; V1794-R1798 PolarHBondContact O-N 3.1Å; V1794-L1826 HydrophobicContact CG1-CD2 3.79Å; V1794-L1826 HydrophobicContact CG1-CG 4.4Å; V1794-F1830 HydrophobicContact CG1-CB 3.65Å; V1794-F1830 HydrophobicContact CG1-CG 4.29Å; V1794-F1830 HydrophobicContact CG2-CB 4.03Å; V1794-F1830 HydrophobicContact CG2-CD1 4.13Å; V1794-F1830 HydrophobicContact CG2-CG 4.09Å |
| 1795 | D | 89.7 | Confident | 89.4 | Confident | 115 Ų | 115 | 54.3 Ų | 54.3 | 62% | 0.615 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -66.4 | -44 | 179.9 | -69.9 | -33.6 | 0 | 0 | 0 | 111.8 | D1793 R1798 A1799 | D1793-D1795 PolarHBondContact O-N 3.44Å; D1795-R1798 PolarHBondContact O-N 2.84Å; D1795-R1798 IonicContact OD1-CZ 3.11Å; D1795-R1798 IonicContact OD1-NH1 3.57Å; D1795-R1798 PolarHBondContact OD1-NH1 3.48Å; D1795-A1799 PolarHBondContact O-N 2.78Å |
| 1796 | K | 88.9 | Confident | 89.3 | Confident | 104 Ų | 104 | 59.7 Ų | 59.7 | 45% | 0.452 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.9 | -38.5 | 173.5 | -73.8 | -171.7 | -166.7 | 127.4 | 0 | 112.1 | F1788 D1793 R1798 A1799 V1800 | F1788-K1796 HydrophobicContact CB-CB 4.21Å; F1788-K1796 HydrophobicContact CD1-CB 3.65Å; F1788-K1796 HydrophobicContact CD1-CD 3.78Å; F1788-K1796 HydrophobicContact CD1-CG 4.38Å; F1788-K1796 HydrophobicContact CD2-CB 3.96Å; F1788-K1796 HydrophobicContact CE1-CB 3.91Å; F1788-K1796 HydrophobicContact CE1-CD 3.36Å; F1788-K1796 HydrophobicContact CE1-CG 4.29Å; F1788-K1796 HydrophobicContact CE2-CB 4.17Å; F1788-K1796 HydrophobicContact CG-CB 3.68Å; F1788-K1796 HydrophobicContact CZ-CB 4.15Å; F1788-K1796 HydrophobicContact CZ-CD 3.85Å; D1793-K1796 HydrophobicContact CB-CB 4.41Å; D1793-K1796 PolarHBondContact O-N 2.88Å; D1793-K1796 WeakPolarHBondContact OD1-CB 3.35Å; D1793-K1796 WeakPolarHBondContact OD1-CG 3.41Å; D1793-K1796 PolarHBondContact OD1-N 3.5Å; D1793-K1796 WeakPolarHBondContact OD2-CD 3.06Å; D1793-K1796 WeakPolarHBondContact OD2-CE 3.46Å; D1793-K1796 WeakPolarHBondContact OD2-CG 3.49Å; D1793-K1796 IonicContact OD2-NZ 3.36Å; D1793-K1796 PolarHBondContact OD2-NZ 3.38Å; K1796-R1798 VanDerWaalsContact C-N 3.31Å; K1796-R1798 PolarHBondContact O-N 3.46Å; K1796-A1799 WeakPolarHBondContact O-CB 3.45Å; K1796-A1799 PolarHBondContact O-N 2.65Å; K1796-A1799 VanDerWaalsContact O-N 3.07Å; K1796-V1800 WeakPolarHBondContact O-CG2 3.48Å; K1796-V1800 PolarHBondContact O-N 3.28Å |
| 1797 | A | 91.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.6 | -42.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1785 F1788 L1789 D1793 V1794 V1800 G1801 L1826 | M1785-A1797 HydrophobicContact CB-CB 4.43Å; M1785-A1797 WeakPolarHBondContact CG-O 3.47Å; M1785-A1797 WeakPolarHBondContact O-CB 3.35Å; F1788-A1797 HydrophobicContact CB-CB 3.9Å; L1789-A1797 HydrophobicContact CD2-CB 3.89Å; L1789-A1797 HydrophobicContact CG-CB 3.88Å; D1793-A1797 PolarHBondContact O-N 3.28Å; D1793-A1797 VanDerWaalsContact O-N 3.12Å; V1794-A1797 PolarHBondContact O-N 3.46Å; A1797-V1800 PolarHBondContact O-N 3.25Å; A1797-G1801 PolarHBondContact O-N 2.84Å; A1797-L1826 HydrophobicContact CB-CD1 3.64Å |
| 1798 | R | 93.3 | Very high | 89.3 | Confident | 56 Ų | 56 | 58.5 Ų | 58.5 | 21% | 0.211 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 170.7 | -72.9 | -171.1 | -152.2 | 93.9 | 3.6 | 112 | V1794 D1795 K1796 V1800 G1801 R1802 L1826 E1827 | V1794-R1798 PolarHBondContact O-N 3.1Å; D1795-R1798 PolarHBondContact O-N 2.84Å; D1795-R1798 IonicContact OD1-CZ 3.11Å; D1795-R1798 IonicContact OD1-NH1 3.57Å; D1795-R1798 PolarHBondContact OD1-NH1 3.48Å; K1796-R1798 VanDerWaalsContact C-N 3.31Å; K1796-R1798 PolarHBondContact O-N 3.46Å; R1798-V1800 VanDerWaalsContact C-N 3.26Å; R1798-V1800 PolarHBondContact O-N 3.29Å; R1798-G1801 PolarHBondContact O-N 2.99Å; R1798-R1802 WeakPolarHBondContact O-CB 3.44Å; R1798-R1802 VanDerWaalsContact O-CG 3.26Å; R1798-R1802 WeakPolarHBondContact O-CG 3.36Å; R1798-R1802 PolarHBondContact O-N 2.94Å; R1798-L1826 HydrophobicContact CG-CD2 3.58Å; R1798-E1827 WeakPolarHBondContact CD-OE1 3.41Å; R1798-E1827 IonicContact CZ-OE1 3.35Å; R1798-E1827 IonicContact NE-OE1 2.63Å; R1798-E1827 PolarHBondContact NE-OE1 2.86Å; R1798-E1827 IonicContact NE-OE2 2.74Å |
| 1799 | A | 91.5 | Very high | 88.8 | Confident | 60 Ų | 60 | 61.1 Ų | 61.1 | 50% | 0.496 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.7 | -39.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D1795 K1796 R1802 K1803 | D1795-A1799 PolarHBondContact O-N 2.78Å; K1796-A1799 WeakPolarHBondContact O-CB 3.45Å; K1796-A1799 PolarHBondContact O-N 2.65Å; K1796-A1799 VanDerWaalsContact O-N 3.07Å; A1799-R1802 PolarHBondContact O-N 2.84Å; A1799-K1803 WeakPolarHBondContact O-CB 3.42Å; A1799-K1803 PolarHBondContact O-N 3.27Å |
| 1800 | V | 93.8 | Very high | 88.5 | Confident | 10 Ų | 10 | 59.3 Ų | 59.3 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.9 | -49.1 | 174.4 | 173 | 0 | 0 | 0 | 0 | 111.5 | W1781 Y1784 M1785 F1788 K1796 A1797 R1798 R1802 K1803 A1804 | W1781-V1800 HydrophobicContact CE3-CG1 3.75Å; W1781-V1800 HydrophobicContact CZ3-CG1 4.16Å; Y1784-V1800 HydrophobicContact CD1-CB 4.49Å; Y1784-V1800 HydrophobicContact CD1-CG1 3.6Å; Y1784-V1800 HydrophobicContact CD1-CG2 3.94Å; Y1784-V1800 HydrophobicContact CD2-CG2 4.49Å; Y1784-V1800 HydrophobicContact CE1-CG1 4.44Å; Y1784-V1800 HydrophobicContact CE1-CG2 4.06Å; Y1784-V1800 HydrophobicContact CG-CG1 3.8Å; Y1784-V1800 HydrophobicContact CG-CG2 4.2Å; M1785-V1800 HydrophobicContact CG-CB 4.06Å; M1785-V1800 HydrophobicContact CG-CG1 3.78Å; F1788-V1800 HydrophobicContact CD2-CG2 3.68Å; F1788-V1800 HydrophobicContact CE2-CG2 3.53Å; K1796-V1800 WeakPolarHBondContact O-CG2 3.48Å; K1796-V1800 PolarHBondContact O-N 3.28Å; A1797-V1800 PolarHBondContact O-N 3.25Å; R1798-V1800 VanDerWaalsContact C-N 3.26Å; R1798-V1800 PolarHBondContact O-N 3.29Å; V1800-R1802 VanDerWaalsContact C-N 3.28Å; V1800-R1802 PolarHBondContact O-N 3.39Å; V1800-K1803 WeakPolarHBondContact O-CB 3.34Å; V1800-K1803 PolarHBondContact O-N 2.69Å; V1800-K1803 VanDerWaalsContact O-N 3.1Å; V1800-A1804 PolarHBondContact O-N 2.74Å |
| 1801 | G | 93.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.8 | -37.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1785 A1797 R1798 A1804 L1805 I1819 | M1785-G1801 VanDerWaalsContact SD-CA 3.51Å; A1797-G1801 PolarHBondContact O-N 2.84Å; R1798-G1801 PolarHBondContact O-N 2.99Å; G1801-A1804 WeakPolarHBondContact O-CB 3.43Å; G1801-A1804 PolarHBondContact O-N 3.23Å; G1801-L1805 PolarHBondContact O-N 2.92Å; G1801-L1805 VanDerWaalsContact O-N 3.1Å; G1801-I1819 WeakPolarHBondContact O-CG2 3.04Å |
| 1802 | R | 93.9 | Very high | 87.9 | Confident | 81 Ų | 81 | 55.5 Ų | 55.5 | 31% | 0.306 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 172.9 | -65.9 | -63.5 | -168.9 | 168.8 | 7.4 | 112 | R1798 A1799 V1800 L1805 K1806 E1842 | R1798-R1802 WeakPolarHBondContact O-CB 3.44Å; R1798-R1802 VanDerWaalsContact O-CG 3.26Å; R1798-R1802 WeakPolarHBondContact O-CG 3.36Å; R1798-R1802 PolarHBondContact O-N 2.94Å; A1799-R1802 PolarHBondContact O-N 2.84Å; V1800-R1802 VanDerWaalsContact C-N 3.28Å; V1800-R1802 PolarHBondContact O-N 3.39Å; R1802-L1805 PolarHBondContact O-N 2.81Å; R1802-K1806 WeakPolarHBondContact O-CG 3.31Å; R1802-K1806 PolarHBondContact O-N 3.34Å; R1802-E1842 IonicContact CZ-OE2 2.75Å; R1802-E1842 IonicContact NH1-OE2 3.23Å; R1802-E1842 PolarHBondContact NH1-OE2 2.98Å; R1802-E1842 IonicContact NH2-OE1 2.62Å; R1802-E1842 PolarHBondContact NH2-OE1 3.36Å; R1802-E1842 IonicContact NH2-OE2 2.77Å; R1802-E1842 PolarHBondContact NH2-OE2 2.92Å |
| 1803 | K | 91.5 | Very high | 87.7 | Confident | 94 Ų | 94 | 54.4 Ų | 54.4 | 41% | 0.409 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 174.1 | -171.1 | -178.8 | 175.5 | -170.7 | 0 | 110 | D1768 W1781 A1799 V1800 L1805 K1806 T1807 | D1768-K1803 IonicContact OD1-NZ 3.87Å; D1768-K1803 PolarHBondContact OD1-NZ 2.94Å; W1781-K1803 HydrophobicContact CH2-CB 4.31Å; W1781-K1803 HydrophobicContact CH2-CD 3.83Å; W1781-K1803 HydrophobicContact CH2-CG 3.75Å; W1781-K1803 HydrophobicContact CZ3-CB 4.09Å; W1781-K1803 HydrophobicContact CZ3-CD 3.89Å; W1781-K1803 HydrophobicContact CZ3-CG 3.96Å; A1799-K1803 WeakPolarHBondContact O-CB 3.42Å; A1799-K1803 PolarHBondContact O-N 3.27Å; V1800-K1803 WeakPolarHBondContact O-CB 3.34Å; V1800-K1803 PolarHBondContact O-N 2.69Å; V1800-K1803 VanDerWaalsContact O-N 3.1Å; K1803-L1805 PolarHBondContact O-N 3.3Å; K1803-K1806 WeakPolarHBondContact O-CA 3.4Å; K1803-K1806 WeakPolarHBondContact O-CB 3.23Å; K1803-K1806 PolarHBondContact O-N 3.01Å; K1803-T1807 PolarHBondContact O-N 2.67Å; K1803-T1807 PolarHBondContact O-OG1 3.1Å; K1803-T1807 VanDerWaalsContact O-OG1 3.05Å |
| 1804 | A | 93.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.4 | -47.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | W1781 V1800 G1801 K1806 T1807 I1808 I1819 | W1781-A1804 HydrophobicContact CB-CB 3.67Å; W1781-A1804 HydrophobicContact CD2-CB 3.32Å; W1781-A1804 HydrophobicContact CE3-CB 3.67Å; W1781-A1804 HydrophobicContact CG-CB 3.31Å; W1781-A1804 HydrophobicContact CZ3-CB 4.43Å; V1800-A1804 PolarHBondContact O-N 2.74Å; G1801-A1804 WeakPolarHBondContact O-CB 3.43Å; G1801-A1804 PolarHBondContact O-N 3.23Å; A1804-K1806 PolarHBondContact O-N 3.16Å; A1804-T1807 PolarHBondContact O-N 3.48Å; A1804-T1807 VanDerWaalsContact O-N 3.16Å; A1804-I1808 HydrophobicContact CB-CD1 4.44Å; A1804-I1808 WeakPolarHBondContact O-CB 3.4Å; A1804-I1808 WeakPolarHBondContact O-CG1 3.3Å; A1804-I1808 PolarHBondContact O-N 2.85Å; A1804-I1819 HydrophobicContact CB-CD1 3.98Å; A1804-I1819 HydrophobicContact CB-CG1 4.02Å; A1804-I1819 HydrophobicContact CB-CG2 4.05Å |
| 1805 | L | 90.9 | Very high | 87.2 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 6% | 0.063 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.6 | -19.8 | 175.3 | -71.5 | 176.3 | 0 | 0 | 0 | 113.7 | G1801 R1802 K1803 R1816 I1819 W1820 L1823 | G1801-L1805 PolarHBondContact O-N 2.92Å; G1801-L1805 VanDerWaalsContact O-N 3.1Å; R1802-L1805 PolarHBondContact O-N 2.81Å; K1803-L1805 PolarHBondContact O-N 3.3Å; L1805-R1816 HydrophobicContact CD2-CB 4.3Å; L1805-R1816 PolarHBondContact O-NH1 3.43Å; L1805-R1816 PolarHBondContact O-NH2 2.9Å; L1805-I1819 HydrophobicContact CD1-CG2 4.38Å; L1805-I1819 HydrophobicContact CD2-CB 3.92Å; L1805-I1819 HydrophobicContact CD2-CG2 3.88Å; L1805-I1819 HydrophobicContact CG-CB 4.29Å; L1805-I1819 HydrophobicContact CG-CG2 3.67Å; L1805-W1820 HydrophobicContact CD1-CD2 3.89Å; L1805-W1820 HydrophobicContact CD1-CE3 4.04Å; L1805-W1820 HydrophobicContact CD1-CH2 3.85Å; L1805-W1820 HydrophobicContact CD1-CZ2 3.67Å; L1805-W1820 HydrophobicContact CD1-CZ3 4.03Å; L1805-W1820 HydrophobicContact CD2-CD2 4.36Å; L1805-W1820 HydrophobicContact CD2-CG 4.35Å; L1805-L1823 HydrophobicContact CD1-CD1 3.61Å; L1805-L1823 HydrophobicContact CG-CD1 4.47Å |
| 1806 | K | 87 | Confident | 87.4 | Confident | 120 Ų | 120 | 55 Ų | 55 | 52% | 0.522 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -84.1 | -38.5 | 172.1 | -64.5 | -177.4 | -177.3 | 176.6 | 0 | 111.5 | R1802 K1803 A1804 | R1802-K1806 WeakPolarHBondContact O-CG 3.31Å; R1802-K1806 PolarHBondContact O-N 3.34Å; K1803-K1806 WeakPolarHBondContact O-CA 3.4Å; K1803-K1806 WeakPolarHBondContact O-CB 3.23Å; K1803-K1806 PolarHBondContact O-N 3.01Å; A1804-K1806 PolarHBondContact O-N 3.16Å |
| 1807 | T | 86.2 | Confident | 87.6 | Confident | 54 Ų | 54 | 51 Ų | 51 | 33% | 0.331 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -84.8 | -42.1 | -171.8 | -53 | 0 | 0 | 0 | 0 | 113.6 | P1775 W1781 K1803 A1804 L1809 | P1775-T1807 HydrophobicContact CB-CG2 3.77Å; W1781-T1807 HydrophobicContact CZ2-CG2 3.96Å; K1803-T1807 PolarHBondContact O-N 2.67Å; K1803-T1807 PolarHBondContact O-OG1 3.1Å; K1803-T1807 VanDerWaalsContact O-OG1 3.05Å; A1804-T1807 PolarHBondContact O-N 3.48Å; A1804-T1807 VanDerWaalsContact O-N 3.16Å; T1807-L1809 PolarHBondContact O-N 3.09Å |
| 1808 | I | 89.1 | Confident | 87.6 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -64.4 | 123.6 | -179.6 | -61.1 | 175.8 | 0 | 0 | 0 | 109.7 | P1775 A1804 A1810 N1812 E1815 R1816 I1819 | P1775-I1808 WeakPolarHBondContact O-CG1 3.36Å; A1804-I1808 HydrophobicContact CB-CD1 4.44Å; A1804-I1808 WeakPolarHBondContact O-CB 3.4Å; A1804-I1808 WeakPolarHBondContact O-CG1 3.3Å; A1804-I1808 PolarHBondContact O-N 2.85Å; I1808-A1810 PolarHBondContact O-N 3.41Å; I1808-N1812 HydrophobicContact CG2-CB 4.21Å; I1808-E1815 HydrophobicContact CD1-CB 4.38Å; I1808-E1815 HydrophobicContact CG2-CB 3.87Å; I1808-R1816 HydrophobicContact CB-CG 4.05Å; I1808-R1816 HydrophobicContact CG2-CG 3.69Å; I1808-R1816 PolarHBondContact O-NH1 3.39Å; I1808-I1819 HydrophobicContact CD1-CD1 4.27Å; I1808-I1819 HydrophobicContact CD1-CG1 3.68Å |
| 1809 | L | 78.4 | Confident | 87.7 | Confident | 66 Ų | 66 | 51.3 Ų | 51.3 | 35% | 0.346 | 26% | 0.257 | S | S | . | . | trans | -57.1 | 128.6 | 179.1 | -66.6 | 174.2 | 0 | 0 | 0 | 110.2 | N1776 T1807 K1811 N1812 | N1776-L1809 WeakPolarHBondContact OD1-CB 3.32Å; N1776-L1809 WeakPolarHBondContact OD1-CG 3.32Å; N1776-L1809 PolarHBondContact OD1-N 2.98Å; T1807-L1809 PolarHBondContact O-N 3.09Å; L1809-K1811 HydrophobicContact CB-CG 4.05Å; L1809-K1811 PolarHBondContact O-N 3.38Å; L1809-K1811 VanDerWaalsContact O-N 3.09Å; L1809-N1812 WeakPolarHBondContact O-CB 3.34Å; L1809-N1812 PolarHBondContact O-N 3.39Å | ||
| 1810 | A | 76.1 | Confident | 87.9 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 2% | 0.017 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -5.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116 | Y704 T706 I1808 N1812 | Y704-A1810 HydrophobicContact CD2-CB 3.2Å; Y704-A1810 HydrophobicContact CE1-CB 4.5Å; Y704-A1810 HydrophobicContact CE2-CB 3Å; Y704-A1810 HydrophobicContact CG-CB 4.06Å; Y704-A1810 PolarHBondContact OH-O 3.07Å; T706-A1810 HydrophobicContact CG2-CB 3.6Å; I1808-A1810 PolarHBondContact O-N 3.41Å; A1810-N1812 PolarHBondContact O-N 2.98Å |
| 1811 | K | 72.9 | Confident | 87.9 | Confident | 132 Ų | 132 | 49.9 Ų | 49.9 | 57% | 0.574 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -24 | 161.9 | 61.3 | 168.3 | -172.8 | 179.1 | 0 | 113.3 | L1809 E1813 | L1809-K1811 HydrophobicContact CB-CG 4.05Å; L1809-K1811 PolarHBondContact O-N 3.38Å; L1809-K1811 VanDerWaalsContact O-N 3.09Å; K1811-E1813 VanDerWaalsContact C-N 3.3Å; K1811-E1813 PolarHBondContact O-N 2.89Å |
| 1812 | N | 79.4 | Confident | 87.8 | Confident | 50 Ų | 50 | 50.8 Ų | 50.8 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | trans | -91.2 | 67.6 | 178.5 | -64.1 | -3 | 0 | 0 | 0 | 108.9 | I1808 L1809 A1810 T1814 E1815 R1816 | I1808-N1812 HydrophobicContact CG2-CB 4.21Å; L1809-N1812 WeakPolarHBondContact O-CB 3.34Å; L1809-N1812 PolarHBondContact O-N 3.39Å; A1810-N1812 PolarHBondContact O-N 2.98Å; N1812-T1814 VanDerWaalsContact C-N 3.29Å; N1812-T1814 PolarHBondContact O-N 2.81Å; N1812-E1815 HydrophobicContact CB-CB 3.99Å; N1812-E1815 HydrophobicContact CB-CG 3.86Å; N1812-E1815 PolarHBondContact O-N 2.92Å; N1812-R1816 PolarHBondContact O-N 3.16Å; N1812-R1816 VanDerWaalsContact O-N 3.16Å | ||
| 1813 | E | 80.4 | Confident | 87.9 | Confident | 117 Ų | 117 | 47 Ų | 47 | 55% | 0.547 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.8 | -40.2 | -174.6 | -66.3 | -179 | 177.6 | 0 | 0 | 111.9 | K1811 R1816 F1817 | K1811-E1813 VanDerWaalsContact C-N 3.3Å; K1811-E1813 PolarHBondContact O-N 2.89Å; E1813-R1816 PolarHBondContact O-N 2.82Å; E1813-F1817 WeakPolarHBondContact O-CB 3.2Å; E1813-F1817 PolarHBondContact O-N 3.43Å |
| 1814 | T | 83.4 | Confident | 88 | Confident | 101 Ų | 101 | 42.5 Ų | 42.5 | 62% | 0.62 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -61.5 | -46.3 | 177.4 | -34.2 | 0 | 0 | 0 | 0 | 112.2 | N1812 R1816 F1817 N1818 | N1812-T1814 VanDerWaalsContact C-N 3.29Å; N1812-T1814 PolarHBondContact O-N 2.81Å; T1814-R1816 VanDerWaalsContact C-N 3.31Å; T1814-R1816 PolarHBondContact O-N 3.36Å; T1814-F1817 PolarHBondContact O-N 2.81Å; T1814-N1818 VanDerWaalsContact O-CG 3.27Å; T1814-N1818 PolarHBondContact O-N 3.44Å; T1814-N1818 PolarHBondContact O-OD1 3.02Å |
| 1815 | E | 87.8 | Confident | 87.9 | Confident | 60 Ų | 60 | 45.9 Ų | 45.9 | 28% | 0.28 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.6 | -42.1 | 177.8 | -62.9 | -66 | 161 | 0 | 0 | 111.1 | N1776 S1778 I1808 N1812 N1818 I1819 | N1776-E1815 WeakPolarHBondContact O-CG 3.45Å; S1778-E1815 WeakPolarHBondContact CB-O 3Å; S1778-E1815 WeakPolarHBondContact CB-OE2 3.16Å; S1778-E1815 PolarHBondContact N-OE2 3.26Å; S1778-E1815 PolarHBondContact OG-OE2 3.11Å; I1808-E1815 HydrophobicContact CD1-CB 4.38Å; I1808-E1815 HydrophobicContact CG2-CB 3.87Å; N1812-E1815 HydrophobicContact CB-CB 3.99Å; N1812-E1815 HydrophobicContact CB-CG 3.86Å; N1812-E1815 PolarHBondContact O-N 2.92Å; E1815-N1818 PolarHBondContact O-N 2.93Å; E1815-I1819 PolarHBondContact O-N 3.39Å |
| 1816 | R | 92.1 | Very high | 88 | Confident | 36 Ų | 36 | 45.5 Ų | 45.5 | 14% | 0.136 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.9 | -38.4 | 177.5 | -68.2 | 175.4 | 66.5 | 92.2 | 10.3 | 112.3 | L1805 I1808 N1812 E1813 T1814 N1818 I1819 W1820 | L1805-R1816 HydrophobicContact CD2-CB 4.3Å; L1805-R1816 PolarHBondContact O-NH1 3.43Å; L1805-R1816 PolarHBondContact O-NH2 2.9Å; I1808-R1816 HydrophobicContact CB-CG 4.05Å; I1808-R1816 HydrophobicContact CG2-CG 3.69Å; I1808-R1816 PolarHBondContact O-NH1 3.39Å; N1812-R1816 PolarHBondContact O-N 3.16Å; N1812-R1816 VanDerWaalsContact O-N 3.16Å; E1813-R1816 PolarHBondContact O-N 2.82Å; T1814-R1816 VanDerWaalsContact C-N 3.31Å; T1814-R1816 PolarHBondContact O-N 3.36Å; R1816-N1818 VanDerWaalsContact C-N 3.28Å; R1816-N1818 PolarHBondContact O-N 3.21Å; R1816-I1819 PolarHBondContact O-N 2.75Å; R1816-W1820 VanDerWaalsContact O-CD1 3.25Å; R1816-W1820 PolarHBondContact O-N 3.42Å |
| 1817 | F | 93 | Very high | 88.2 | Confident | 19 Ų | 19 | 40 Ų | 40 | 8% | 0.083 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.9 | -39.7 | 175.4 | -174.5 | -105.7 | 0 | 0 | 0 | 111 | E1813 T1814 I1819 W1820 L1821 N1847 L1851 L1852 | E1813-F1817 WeakPolarHBondContact O-CB 3.2Å; E1813-F1817 PolarHBondContact O-N 3.43Å; T1814-F1817 PolarHBondContact O-N 2.81Å; F1817-I1819 VanDerWaalsContact C-N 3.33Å; F1817-I1819 PolarHBondContact O-N 3.41Å; F1817-W1820 WeakPolarHBondContact O-CB 3.34Å; F1817-W1820 PolarHBondContact O-N 3.37Å; F1817-W1820 VanDerWaalsContact O-N 3.11Å; F1817-L1821 HydrophobicContact CD1-CD1 4.04Å; F1817-L1821 HydrophobicContact CD1-CG 4.24Å; F1817-L1821 HydrophobicContact CE1-CD1 3.66Å; F1817-L1821 HydrophobicContact CE1-CD2 4.15Å; F1817-L1821 HydrophobicContact CE1-CG 3.92Å; F1817-L1821 HydrophobicContact CZ-CD1 4.39Å; F1817-L1821 HydrophobicContact CZ-CD2 4.04Å; F1817-L1821 HydrophobicContact CZ-CG 4.24Å; F1817-L1821 PolarHBondContact O-N 3.31Å; F1817-N1847 HydrophobicContact CD2-CB 4.04Å; F1817-N1847 HydrophobicContact CE2-CB 4.2Å; F1817-L1851 HydrophobicContact CD1-CD2 4.43Å; F1817-L1851 HydrophobicContact CE1-CD2 3.98Å; F1817-L1851 HydrophobicContact CE1-CG 4.1Å; F1817-L1851 HydrophobicContact CE2-CD2 4.13Å; F1817-L1851 HydrophobicContact CE2-CG 4.24Å; F1817-L1851 HydrophobicContact CZ-CD2 3.83Å; F1817-L1851 HydrophobicContact CZ-CG 3.68Å; F1817-L1852 HydrophobicContact CE2-CB 4.44Å; F1817-L1852 HydrophobicContact CE2-CD1 3.69Å; F1817-L1852 HydrophobicContact CZ-CD1 4.36Å |
| 1818 | N | 91.6 | Very high | 88.5 | Confident | 63 Ų | 63 | 38 Ų | 38 | 34% | 0.337 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.2 | -39.9 | 174.7 | -67.8 | -12.7 | 0 | 0 | 0 | 112.4 | S1778 T1814 E1815 R1816 L1821 A1822 | S1778-N1818 WeakPolarHBondContact OG-CB 3.5Å; S1778-N1818 PolarHBondContact OG-ND2 2.77Å; T1814-N1818 VanDerWaalsContact O-CG 3.27Å; T1814-N1818 PolarHBondContact O-N 3.44Å; T1814-N1818 PolarHBondContact O-OD1 3.02Å; E1815-N1818 PolarHBondContact O-N 2.93Å; R1816-N1818 VanDerWaalsContact C-N 3.28Å; R1816-N1818 PolarHBondContact O-N 3.21Å; N1818-L1821 PolarHBondContact O-N 3.45Å; N1818-A1822 PolarHBondContact O-N 3.32Å |
| 1819 | I | 95.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65 | -39.4 | 173.3 | -58.6 | -56.8 | 0 | 0 | 0 | 111.7 | W1781 T1782 G1801 A1804 L1805 I1808 E1815 R1816 F1817 L1821 A1822 L1823 | W1781-I1819 HydrophobicContact CB-CD1 3.62Å; W1781-I1819 HydrophobicContact CG-CD1 4.44Å; T1782-I1819 HydrophobicContact CG2-CD1 3.99Å; G1801-I1819 WeakPolarHBondContact O-CG2 3.04Å; A1804-I1819 HydrophobicContact CB-CD1 3.98Å; A1804-I1819 HydrophobicContact CB-CG1 4.02Å; A1804-I1819 HydrophobicContact CB-CG2 4.05Å; L1805-I1819 HydrophobicContact CD1-CG2 4.38Å; L1805-I1819 HydrophobicContact CD2-CB 3.92Å; L1805-I1819 HydrophobicContact CD2-CG2 3.88Å; L1805-I1819 HydrophobicContact CG-CB 4.29Å; L1805-I1819 HydrophobicContact CG-CG2 3.67Å; I1808-I1819 HydrophobicContact CD1-CD1 4.27Å; I1808-I1819 HydrophobicContact CD1-CG1 3.68Å; E1815-I1819 PolarHBondContact O-N 3.39Å; R1816-I1819 PolarHBondContact O-N 2.75Å; F1817-I1819 VanDerWaalsContact C-N 3.33Å; F1817-I1819 PolarHBondContact O-N 3.41Å; I1819-L1821 VanDerWaalsContact C-N 3.35Å; I1819-A1822 PolarHBondContact O-N 3.11Å; I1819-L1823 HydrophobicContact CG2-CD1 4.26Å; I1819-L1823 PolarHBondContact O-N 3.12Å |
| 1820 | W | 95.3 | Very high | 89 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.1 | -42.6 | 173.7 | -77.9 | 118 | 0 | 0 | 0 | 112.1 | L1805 R1816 F1817 A1822 L1823 L1824 E1842 A1843 V1846 N1847 | L1805-W1820 HydrophobicContact CD1-CD2 3.89Å; L1805-W1820 HydrophobicContact CD1-CE3 4.04Å; L1805-W1820 HydrophobicContact CD1-CH2 3.85Å; L1805-W1820 HydrophobicContact CD1-CZ2 3.67Å; L1805-W1820 HydrophobicContact CD1-CZ3 4.03Å; L1805-W1820 HydrophobicContact CD2-CD2 4.36Å; L1805-W1820 HydrophobicContact CD2-CG 4.35Å; R1816-W1820 VanDerWaalsContact O-CD1 3.25Å; R1816-W1820 PolarHBondContact O-N 3.42Å; F1817-W1820 WeakPolarHBondContact O-CB 3.34Å; F1817-W1820 PolarHBondContact O-N 3.37Å; F1817-W1820 VanDerWaalsContact O-N 3.11Å; W1820-A1822 VanDerWaalsContact C-N 3.33Å; W1820-A1822 PolarHBondContact O-N 2.62Å; W1820-L1823 HydrophobicContact CE3-CD1 4.23Å; W1820-L1823 HydrophobicContact CZ3-CD1 4.43Å; W1820-L1823 PolarHBondContact O-N 3.43Å; W1820-L1824 WeakPolarHBondContact O-CB 3.37Å; W1820-L1824 VanDerWaalsContact O-CG 3.3Å; W1820-L1824 WeakPolarHBondContact O-CG 3.26Å; W1820-L1824 PolarHBondContact O-N 3.32Å; W1820-E1842 HydrophobicContact CH2-CB 3.84Å; W1820-E1842 HydrophobicContact CZ3-CB 4.19Å; W1820-A1843 HydrophobicContact CD2-CB 3.89Å; W1820-A1843 HydrophobicContact CE3-CB 3.63Å; W1820-A1843 HydrophobicContact CG-CB 4.34Å; W1820-A1843 HydrophobicContact CZ3-CB 4.04Å; W1820-V1846 HydrophobicContact CZ2-CG2 4.33Å; W1820-N1847 PolarHBondContact NE1-ND2 3.36Å |
| 1821 | L | 93.8 | Very high | 89.5 | Confident | 26 Ų | 26 | 47.3 Ų | 47.3 | 14% | 0.136 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.4 | -39.7 | 174.2 | -67.6 | -178 | 0 | 0 | 0 | 112.1 | F1817 N1818 I1819 L1824 N1825 H1855 | F1817-L1821 HydrophobicContact CD1-CD1 4.04Å; F1817-L1821 HydrophobicContact CD1-CG 4.24Å; F1817-L1821 HydrophobicContact CE1-CD1 3.66Å; F1817-L1821 HydrophobicContact CE1-CD2 4.15Å; F1817-L1821 HydrophobicContact CE1-CG 3.92Å; F1817-L1821 HydrophobicContact CZ-CD1 4.39Å; F1817-L1821 HydrophobicContact CZ-CD2 4.04Å; F1817-L1821 HydrophobicContact CZ-CG 4.24Å; F1817-L1821 PolarHBondContact O-N 3.31Å; N1818-L1821 PolarHBondContact O-N 3.45Å; I1819-L1821 VanDerWaalsContact C-N 3.35Å; L1821-L1824 HydrophobicContact CD2-CD1 4.46Å; L1821-L1824 PolarHBondContact O-N 3.29Å; L1821-N1825 PolarHBondContact O-N 2.82Å; L1821-N1825 PolarHBondContact O-ND2 3.22Å; L1821-H1855 HydrophobicContact CD2-CB 3.56Å |
| 1822 | A | 92.2 | Very high | 90.2 | Very high | 20 Ų | 20 | 44.3 Ų | 44.3 | 17% | 0.165 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.6 | -42.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1782 M1785 N1818 I1819 W1820 N1825 L1826 | T1782-A1822 HydrophobicContact CG2-CB 3.52Å; M1785-A1822 HydrophobicContact CE-CB 4.16Å; M1785-A1822 HydrophobicContact SD-CB 4.16Å; N1818-A1822 PolarHBondContact O-N 3.32Å; I1819-A1822 PolarHBondContact O-N 3.11Å; W1820-A1822 VanDerWaalsContact C-N 3.33Å; W1820-A1822 PolarHBondContact O-N 2.62Å; A1822-N1825 PolarHBondContact O-N 3.4Å; A1822-L1826 VanDerWaalsContact O-CB 3.31Å; A1822-L1826 WeakPolarHBondContact O-CB 3.36Å; A1822-L1826 PolarHBondContact O-N 3.46Å |
| 1823 | L | 94.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 173.5 | -74.8 | 169.7 | 0 | 0 | 0 | 111.9 | M1785 L1805 I1819 W1820 L1826 E1827 | M1785-L1823 HydrophobicContact CE-CD2 3.9Å; M1785-L1823 HydrophobicContact CE-CG 4.25Å; L1805-L1823 HydrophobicContact CD1-CD1 3.61Å; L1805-L1823 HydrophobicContact CG-CD1 4.47Å; I1819-L1823 HydrophobicContact CG2-CD1 4.26Å; I1819-L1823 PolarHBondContact O-N 3.12Å; W1820-L1823 HydrophobicContact CE3-CD1 4.23Å; W1820-L1823 HydrophobicContact CZ3-CD1 4.43Å; W1820-L1823 PolarHBondContact O-N 3.43Å; L1823-L1826 PolarHBondContact O-N 3.14Å; L1823-E1827 WeakPolarHBondContact O-CG 3.37Å; L1823-E1827 PolarHBondContact O-N 2.83Å |
| 1824 | L | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.4 | -41.8 | 176.1 | -75.6 | 166.4 | 0 | 0 | 0 | 112.4 | W1820 L1821 N1828 M1836 I1839 V1840 L1852 L1856 I1859 | W1820-L1824 WeakPolarHBondContact O-CB 3.37Å; W1820-L1824 VanDerWaalsContact O-CG 3.3Å; W1820-L1824 WeakPolarHBondContact O-CG 3.26Å; W1820-L1824 PolarHBondContact O-N 3.32Å; L1821-L1824 HydrophobicContact CD2-CD1 4.46Å; L1821-L1824 PolarHBondContact O-N 3.29Å; L1824-N1828 WeakPolarHBondContact O-CB 3.39Å; L1824-N1828 PolarHBondContact O-N 2.92Å; L1824-M1836 HydrophobicContact CB-CE 4.43Å; L1824-M1836 HydrophobicContact CD2-CE 3.77Å; L1824-M1836 HydrophobicContact CD2-SD 4.33Å; L1824-I1839 HydrophobicContact CD2-CG2 3.62Å; L1824-I1839 HydrophobicContact CG-CG2 4.08Å; L1824-V1840 HydrophobicContact CD2-CB 4.47Å; L1824-V1840 HydrophobicContact CD2-CG2 3.47Å; L1824-V1840 VanDerWaalsContact CD2-CG2 3.47Å; L1824-L1852 HydrophobicContact CD1-CD1 3.85Å; L1824-L1852 HydrophobicContact CD1-CG 4.4Å; L1824-L1856 HydrophobicContact CD2-CD1 4.29Å; L1824-I1859 HydrophobicContact CB-CD1 3.99Å |
| 1825 | N | 92.4 | Very high | 91 | Very high | 72 Ų | 72 | 42 Ų | 42 | 39% | 0.385 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.8 | -44.3 | 174 | -75.2 | -38.4 | 0 | 0 | 0 | 111.1 | L1821 A1822 N1828 E1829 I1859 | L1821-N1825 PolarHBondContact O-N 2.82Å; L1821-N1825 PolarHBondContact O-ND2 3.22Å; A1822-N1825 PolarHBondContact O-N 3.4Å; N1825-N1828 PolarHBondContact O-N 3.07Å; N1825-E1829 WeakPolarHBondContact O-CB 3.39Å; N1825-E1829 PolarHBondContact O-N 3.08Å; N1825-I1859 VanDerWaalsContact OD1-CD1 3.31Å; N1825-I1859 WeakPolarHBondContact OD1-CD1 3.37Å; N1825-I1859 VanDerWaalsContact OD1-CG1 3.25Å; N1825-I1859 WeakPolarHBondContact OD1-CG1 3.15Å; N1825-I1859 WeakPolarHBondContact OD1-CG2 3.47Å |
| 1826 | L | 92.1 | Very high | 91.1 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.4 | -47.4 | 178.3 | -175.4 | 157.2 | 0 | 0 | 0 | 111.9 | M1785 L1789 V1794 A1797 R1798 A1822 L1823 E1829 F1830 | M1785-L1826 HydrophobicContact CE-CD1 3.7Å; L1789-L1826 HydrophobicContact CD1-CD1 4.21Å; L1789-L1826 HydrophobicContact CD2-CD1 4.01Å; L1789-L1826 HydrophobicContact CD2-CG 4.2Å; L1789-L1826 HydrophobicContact CG-CD1 4.38Å; V1794-L1826 HydrophobicContact CG1-CD2 3.79Å; V1794-L1826 HydrophobicContact CG1-CG 4.4Å; A1797-L1826 HydrophobicContact CB-CD1 3.64Å; R1798-L1826 HydrophobicContact CG-CD2 3.58Å; A1822-L1826 VanDerWaalsContact O-CB 3.31Å; A1822-L1826 WeakPolarHBondContact O-CB 3.36Å; A1822-L1826 PolarHBondContact O-N 3.46Å; L1823-L1826 PolarHBondContact O-N 3.14Å; L1826-E1829 PolarHBondContact O-N 3.24Å; L1826-F1830 HydrophobicContact CG-CD2 4.49Å; L1826-F1830 PolarHBondContact O-N 2.94Å |
| 1827 | E | 92.2 | Very high | 91 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.9 | -34.2 | 176.2 | -68.1 | -55.9 | 151.1 | 0 | 0 | 112.8 | R1798 L1823 E1829 G1831 S1835 M1836 I1839 | R1798-E1827 WeakPolarHBondContact CD-OE1 3.41Å; R1798-E1827 IonicContact CZ-OE1 3.35Å; R1798-E1827 IonicContact NE-OE1 2.63Å; R1798-E1827 PolarHBondContact NE-OE1 2.86Å; R1798-E1827 IonicContact NE-OE2 2.74Å; L1823-E1827 WeakPolarHBondContact O-CG 3.37Å; L1823-E1827 PolarHBondContact O-N 2.83Å; E1827-E1829 VanDerWaalsContact C-N 3.26Å; E1827-E1829 PolarHBondContact O-N 2.9Å; E1827-G1831 CarbonylContact O-C 3.52Å; E1827-G1831 WeakPolarHBondContact O-CA 3.43Å; E1827-G1831 PolarHBondContact O-N 3.12Å; E1827-G1831 WeakPolarHBondContact OE2-CA 3.46Å; E1827-S1835 WeakPolarHBondContact OE2-CB 3.38Å; E1827-S1835 PolarHBondContact OE2-OG 3.15Å; E1827-M1836 HydrophobicContact CB-CB 4.45Å; E1827-M1836 HydrophobicContact CB-SD 3.63Å; E1827-I1839 HydrophobicContact CG-CB 4.27Å; E1827-I1839 HydrophobicContact CG-CD1 3.32Å; E1827-I1839 HydrophobicContact CG-CG1 4.36Å; E1827-I1839 HydrophobicContact CG-CG2 4.28Å; E1827-I1839 WeakPolarHBondContact OE1-CD1 3.38Å |
| 1828 | N | 92.6 | Very high | 90.8 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 7% | 0.07 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.5 | -35 | 177.4 | -177.6 | 64.3 | 0 | 0 | 0 | 111.8 | L1824 N1825 M1836 I1859 Y1860 S1863 K1865 | L1824-N1828 WeakPolarHBondContact O-CB 3.39Å; L1824-N1828 PolarHBondContact O-N 2.92Å; N1825-N1828 PolarHBondContact O-N 3.07Å; N1828-M1836 HydrophobicContact CB-CE 4.02Å; N1828-M1836 HydrophobicContact CB-SD 4.09Å; N1828-I1859 HydrophobicContact CB-CG2 3.94Å; N1828-Y1860 WeakPolarHBondContact OD1-CE1 3.49Å; N1828-S1863 WeakPolarHBondContact ND2-CB 3.29Å; N1828-S1863 PolarHBondContact ND2-OG 3.29Å; N1828-K1865 WeakPolarHBondContact O-CE 3.25Å; N1828-K1865 PolarHBondContact O-NZ 2.89Å; N1828-K1865 VanDerWaalsContact OD1-CD 3.3Å; N1828-K1865 WeakPolarHBondContact OD1-CD 3.49Å; N1828-K1865 VanDerWaalsContact OD1-CE 3.27Å; N1828-K1865 WeakPolarHBondContact OD1-CE 3.4Å; N1828-K1865 PolarHBondContact OD1-NZ 2.89Å |
| 1829 | E | 88.2 | Confident | 90.9 | Very high | 148 Ų | 148 | 44.5 Ų | 44.5 | 69% | 0.692 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -91.5 | -38.6 | -175.8 | -163.8 | 155.5 | -167.5 | 0 | 0 | 112.9 | N1825 L1826 E1827 | N1825-E1829 WeakPolarHBondContact O-CB 3.39Å; N1825-E1829 PolarHBondContact O-N 3.08Å; L1826-E1829 PolarHBondContact O-N 3.24Å; E1827-E1829 VanDerWaalsContact C-N 3.26Å; E1827-E1829 PolarHBondContact O-N 2.9Å |
| 1830 | F | 88.5 | Confident | 90.7 | Very high | 91 Ų | 91 | 45.3 Ų | 45.3 | 40% | 0.399 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -121.5 | -5.5 | -174 | -54.3 | -80.3 | 0 | 0 | 0 | 114.8 | L1789 V1794 L1826 | L1789-F1830 HydrophobicContact CD1-CE2 4.17Å; L1789-F1830 HydrophobicContact CD2-CD2 3.89Å; L1789-F1830 HydrophobicContact CD2-CE2 3.83Å; L1789-F1830 HydrophobicContact CD2-CZ 4.4Å; V1794-F1830 HydrophobicContact CG1-CB 3.65Å; V1794-F1830 HydrophobicContact CG1-CG 4.29Å; V1794-F1830 HydrophobicContact CG2-CB 4.03Å; V1794-F1830 HydrophobicContact CG2-CD1 4.13Å; V1794-F1830 HydrophobicContact CG2-CG 4.09Å; L1826-F1830 HydrophobicContact CG-CD2 4.49Å; L1826-F1830 PolarHBondContact O-N 2.94Å |
| 1831 | G | 86.9 | Confident | 90.5 | Very high | 26 Ų | 26 | 47.1 Ų | 47.1 | 27% | 0.268 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -91.5 | 172 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1827 S1835 | E1827-G1831 CarbonylContact O-C 3.52Å; E1827-G1831 WeakPolarHBondContact O-CA 3.43Å; E1827-G1831 PolarHBondContact O-N 3.12Å; E1827-G1831 WeakPolarHBondContact OE2-CA 3.46Å; G1831-S1835 WeakPolarHBondContact CA-OG 3.27Å |
| 1832 | S | 87.1 | Confident | 90.4 | Very high | 69 Ų | 69 | 49.2 Ų | 49.2 | 48% | 0.483 | 27% | 0.267 | S | S | . | . | trans | -88 | 164.8 | 167.6 | 70.9 | 0 | 0 | 0 | 0 | 110.5 | D1834 S1835 M1836 | S1832-D1834 PolarHBondContact O-N 3.33Å; S1832-S1835 PolarHBondContact N-OG 2.67Å; S1832-S1835 PolarHBondContact O-N 2.88Å; S1832-S1835 PolarHBondContact O-OG 3.21Å; S1832-S1835 PolarHBondContact OG-N 3.43Å; S1832-M1836 WeakPolarHBondContact O-CB 3.22Å; S1832-M1836 PolarHBondContact O-N 3.13Å | ||
| 1833 | Q | 84.2 | Confident | 90.4 | Very high | 73 Ų | 73 | 48.3 Ų | 48.3 | 34% | 0.341 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.4 | -38.4 | 175.1 | -170.9 | 63.1 | 48.1 | 0 | 0 | 111.4 | S1835 M1836 D1837 | Q1833-S1835 PolarHBondContact O-N 2.93Å; Q1833-M1836 WeakPolarHBondContact O-CB 3.46Å; Q1833-M1836 PolarHBondContact O-N 2.84Å; Q1833-D1837 PolarHBondContact NE2-OD1 3.1Å; Q1833-D1837 WeakPolarHBondContact O-CB 3.38Å; Q1833-D1837 VanDerWaalsContact O-CG 3.23Å; Q1833-D1837 PolarHBondContact O-N 3.34Å |
| 1834 | D | 86.1 | Confident | 90.1 | Very high | 116 Ų | 116 | 49.4 Ų | 49.4 | 62% | 0.62 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.2 | -37.1 | 176.2 | -69.8 | -15.4 | 0 | 0 | 0 | 113 | S1832 K1838 | S1832-D1834 PolarHBondContact O-N 3.33Å; D1834-K1838 VanDerWaalsContact O-CG 3.3Å; D1834-K1838 WeakPolarHBondContact O-CG 3.29Å; D1834-K1838 PolarHBondContact O-N 2.94Å |
| 1835 | S | 89.9 | Confident | 89.7 | Confident | 29 Ų | 29 | 56 Ų | 56 | 20% | 0.203 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -73 | -38.7 | 177.3 | 68.6 | 0 | 0 | 0 | 0 | 111.3 | E1827 G1831 S1832 Q1833 K1838 I1839 | E1827-S1835 WeakPolarHBondContact OE2-CB 3.38Å; E1827-S1835 PolarHBondContact OE2-OG 3.15Å; G1831-S1835 WeakPolarHBondContact CA-OG 3.27Å; S1832-S1835 PolarHBondContact N-OG 2.67Å; S1832-S1835 PolarHBondContact O-N 2.88Å; S1832-S1835 PolarHBondContact O-OG 3.21Å; S1832-S1835 PolarHBondContact OG-N 3.43Å; Q1833-S1835 PolarHBondContact O-N 2.93Å; S1835-K1838 PolarHBondContact O-N 3.23Å; S1835-I1839 PolarHBondContact O-N 3.13Å |
| 1836 | M | 91.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59 | -49.4 | 173 | -171.6 | 65.9 | -177.3 | 0 | 0 | 111.2 | L1824 E1827 N1828 S1832 Q1833 K1838 I1839 V1840 L1856 Y1860 | L1824-M1836 HydrophobicContact CB-CE 4.43Å; L1824-M1836 HydrophobicContact CD2-CE 3.77Å; L1824-M1836 HydrophobicContact CD2-SD 4.33Å; E1827-M1836 HydrophobicContact CB-CB 4.45Å; E1827-M1836 HydrophobicContact CB-SD 3.63Å; N1828-M1836 HydrophobicContact CB-CE 4.02Å; N1828-M1836 HydrophobicContact CB-SD 4.09Å; S1832-M1836 WeakPolarHBondContact O-CB 3.22Å; S1832-M1836 PolarHBondContact O-N 3.13Å; Q1833-M1836 WeakPolarHBondContact O-CB 3.46Å; Q1833-M1836 PolarHBondContact O-N 2.84Å; M1836-K1838 VanDerWaalsContact C-N 3.33Å; M1836-K1838 PolarHBondContact O-N 3.38Å; M1836-I1839 PolarHBondContact O-N 3.4Å; M1836-V1840 HydrophobicContact CE-CG2 4.1Å; M1836-V1840 HydrophobicContact CG-CG2 4.44Å; M1836-V1840 WeakPolarHBondContact O-CB 3.36Å; M1836-V1840 VanDerWaalsContact O-CG2 3.27Å; M1836-V1840 WeakPolarHBondContact O-CG2 3.35Å; M1836-V1840 PolarHBondContact O-N 3.46Å; M1836-L1856 HydrophobicContact CE-CD1 3.4Å; M1836-Y1860 HydrophobicContact CE-CE1 3.96Å |
| 1837 | D | 88.3 | Confident | 89.2 | Confident | 80 Ų | 80 | 55.8 Ų | 55.8 | 43% | 0.428 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.7 | -38.2 | -178.5 | -69.6 | -13.5 | 0 | 0 | 0 | 111.9 | Q1833 A1841 | Q1833-D1837 PolarHBondContact NE2-OD1 3.1Å; Q1833-D1837 WeakPolarHBondContact O-CB 3.38Å; Q1833-D1837 VanDerWaalsContact O-CG 3.23Å; Q1833-D1837 PolarHBondContact O-N 3.34Å; D1837-A1841 WeakPolarHBondContact O-CB 3.34Å; D1837-A1841 PolarHBondContact O-N 2.96Å |
| 1838 | K | 89.9 | Confident | 89 | Confident | 143 Ų | 143 | 60.5 Ų | 60.5 | 62% | 0.622 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.3 | -47.9 | 173.5 | -76.6 | 173.6 | -175.6 | 173.9 | 0 | 112.1 | D1834 S1835 M1836 A1841 E1842 | D1834-K1838 VanDerWaalsContact O-CG 3.3Å; D1834-K1838 WeakPolarHBondContact O-CG 3.29Å; D1834-K1838 PolarHBondContact O-N 2.94Å; S1835-K1838 PolarHBondContact O-N 3.23Å; M1836-K1838 VanDerWaalsContact C-N 3.33Å; M1836-K1838 PolarHBondContact O-N 3.38Å; K1838-A1841 PolarHBondContact O-N 3.16Å; K1838-E1842 WeakPolarHBondContact O-CG 3.49Å; K1838-E1842 PolarHBondContact O-N 3.32Å |
| 1839 | I | 92.5 | Very high | 88.8 | Confident | 7 Ų | 7 | 63.9 Ų | 63.9 | 4% | 0.036 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69 | -35.6 | -179.2 | -95.7 | 159.3 | 0 | 0 | 0 | 111.9 | L1824 E1827 S1835 M1836 E1842 A1843 | L1824-I1839 HydrophobicContact CD2-CG2 3.62Å; L1824-I1839 HydrophobicContact CG-CG2 4.08Å; E1827-I1839 HydrophobicContact CG-CB 4.27Å; E1827-I1839 HydrophobicContact CG-CD1 3.32Å; E1827-I1839 HydrophobicContact CG-CG1 4.36Å; E1827-I1839 HydrophobicContact CG-CG2 4.28Å; E1827-I1839 WeakPolarHBondContact OE1-CD1 3.38Å; S1835-I1839 PolarHBondContact O-N 3.13Å; M1836-I1839 PolarHBondContact O-N 3.4Å; I1839-E1842 PolarHBondContact O-N 2.85Å; I1839-A1843 VanDerWaalsContact O-CB 3.24Å; I1839-A1843 WeakPolarHBondContact O-CB 3.28Å; I1839-A1843 PolarHBondContact O-N 3.08Å |
| 1840 | V | 91.7 | Very high | 88.8 | Confident | 17 Ų | 17 | 59.3 Ų | 59.3 | 10% | 0.103 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 171.7 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | L1824 M1836 A1843 L1844 L1856 | L1824-V1840 HydrophobicContact CD2-CB 4.47Å; L1824-V1840 HydrophobicContact CD2-CG2 3.47Å; L1824-V1840 VanDerWaalsContact CD2-CG2 3.47Å; M1836-V1840 HydrophobicContact CE-CG2 4.1Å; M1836-V1840 HydrophobicContact CG-CG2 4.44Å; M1836-V1840 WeakPolarHBondContact O-CB 3.36Å; M1836-V1840 VanDerWaalsContact O-CG2 3.27Å; M1836-V1840 WeakPolarHBondContact O-CG2 3.35Å; M1836-V1840 PolarHBondContact O-N 3.46Å; V1840-A1843 PolarHBondContact O-N 2.9Å; V1840-L1844 HydrophobicContact CG1-CD1 3.86Å; V1840-L1844 HydrophobicContact CG1-CG 4.38Å; V1840-L1844 WeakPolarHBondContact O-CB 3.48Å; V1840-L1844 VanDerWaalsContact O-CG 3.27Å; V1840-L1844 WeakPolarHBondContact O-CG 3.45Å; V1840-L1844 PolarHBondContact O-N 2.76Å; V1840-L1856 HydrophobicContact CG1-CD2 4.11Å; V1840-L1856 HydrophobicContact CG2-CD1 4.34Å; V1840-L1856 HydrophobicContact CG2-CD2 3.9Å |
| 1841 | A | 90.5 | Very high | 88.8 | Confident | 52 Ų | 52 | 58.6 Ų | 58.6 | 43% | 0.43 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1837 K1838 A1843 L1844 E1845 | D1837-A1841 WeakPolarHBondContact O-CB 3.34Å; D1837-A1841 PolarHBondContact O-N 2.96Å; K1838-A1841 PolarHBondContact O-N 3.16Å; A1841-A1843 PolarHBondContact O-N 2.91Å; A1841-L1844 PolarHBondContact O-N 3.11Å; A1841-E1845 PolarHBondContact O-N 2.9Å |
| 1842 | E | 92.6 | Very high | 89 | Confident | 70 Ų | 70 | 57.3 Ų | 57.3 | 33% | 0.327 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 177.6 | -69.3 | 175.7 | -163.2 | 0 | 0 | 112.6 | R1802 W1820 K1838 I1839 L1844 E1845 | R1802-E1842 IonicContact CZ-OE2 2.75Å; R1802-E1842 IonicContact NH1-OE2 3.23Å; R1802-E1842 PolarHBondContact NH1-OE2 2.98Å; R1802-E1842 IonicContact NH2-OE1 2.62Å; R1802-E1842 PolarHBondContact NH2-OE1 3.36Å; R1802-E1842 IonicContact NH2-OE2 2.77Å; R1802-E1842 PolarHBondContact NH2-OE2 2.92Å; W1820-E1842 HydrophobicContact CH2-CB 3.84Å; W1820-E1842 HydrophobicContact CZ3-CB 4.19Å; K1838-E1842 WeakPolarHBondContact O-CG 3.49Å; K1838-E1842 PolarHBondContact O-N 3.32Å; I1839-E1842 PolarHBondContact O-N 2.85Å; E1842-L1844 VanDerWaalsContact C-N 3.34Å; E1842-L1844 PolarHBondContact O-N 2.85Å; E1842-E1845 PolarHBondContact O-N 3.4Å |
| 1843 | A | 92.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67 | -35.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | W1820 I1839 V1840 A1841 E1845 V1846 N1847 L1852 | W1820-A1843 HydrophobicContact CD2-CB 3.89Å; W1820-A1843 HydrophobicContact CE3-CB 3.63Å; W1820-A1843 HydrophobicContact CG-CB 4.34Å; W1820-A1843 HydrophobicContact CZ3-CB 4.04Å; I1839-A1843 VanDerWaalsContact O-CB 3.24Å; I1839-A1843 WeakPolarHBondContact O-CB 3.28Å; I1839-A1843 PolarHBondContact O-N 3.08Å; V1840-A1843 PolarHBondContact O-N 2.9Å; A1841-A1843 PolarHBondContact O-N 2.91Å; A1843-E1845 VanDerWaalsContact C-N 3.29Å; A1843-E1845 PolarHBondContact O-N 2.91Å; A1843-V1846 PolarHBondContact O-N 2.9Å; A1843-N1847 WeakPolarHBondContact O-CB 3.15Å; A1843-N1847 PolarHBondContact O-N 3.21Å; A1843-N1847 VanDerWaalsContact O-N 3.09Å; A1843-N1847 PolarHBondContact O-ND2 3.44Å; A1843-L1852 HydrophobicContact CB-CD1 4.03Å; A1843-L1852 HydrophobicContact CB-CD2 3.68Å |
| 1844 | L | 89.5 | Confident | 89.4 | Confident | 23 Ų | 23 | 51.4 Ų | 51.4 | 12% | 0.12 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.5 | -29 | 176 | -75.9 | 168.8 | 0 | 0 | 0 | 112.6 | V1840 A1841 E1842 V1846 H1849 L1852 Y1853 | V1840-L1844 HydrophobicContact CG1-CD1 3.86Å; V1840-L1844 HydrophobicContact CG1-CG 4.38Å; V1840-L1844 WeakPolarHBondContact O-CB 3.48Å; V1840-L1844 VanDerWaalsContact O-CG 3.27Å; V1840-L1844 WeakPolarHBondContact O-CG 3.45Å; V1840-L1844 PolarHBondContact O-N 2.76Å; A1841-L1844 PolarHBondContact O-N 3.11Å; E1842-L1844 VanDerWaalsContact C-N 3.34Å; E1842-L1844 PolarHBondContact O-N 2.85Å; L1844-V1846 VanDerWaalsContact C-N 3.27Å; L1844-V1846 PolarHBondContact O-N 2.84Å; L1844-H1849 HydrophobicContact CD2-CB 4.1Å; L1844-H1849 PolarHBondContact O-CD2 2.91Å; L1844-H1849 VanDerWaalsContact O-CD2 3.28Å; L1844-H1849 PolarHBondContact O-NE2 3.31Å; L1844-H1849 VanDerWaalsContact O-NE2 3.16Å; L1844-L1852 HydrophobicContact CB-CD2 4.37Å; L1844-L1852 HydrophobicContact CD2-CB 4.31Å; L1844-L1852 HydrophobicContact CD2-CD2 3.55Å; L1844-L1852 HydrophobicContact CG-CD2 3.58Å; L1844-Y1853 HydrophobicContact CD1-CE1 3.78Å; L1844-Y1853 WeakPolarHBondContact CD1-OH 3.31Å; L1844-Y1853 HydrophobicContact CD2-CD1 4.27Å; L1844-Y1853 HydrophobicContact CD2-CE1 3.9Å; L1844-Y1853 HydrophobicContact CD2-CE2 4.1Å; L1844-Y1853 HydrophobicContact CG-CE1 4.39Å |
| 1845 | E | 85.8 | Confident | 89.6 | Confident | 138 Ų | 138 | 48.7 Ų | 48.7 | 65% | 0.645 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -67.1 | -28.7 | 178.4 | -71.6 | -173.4 | 168.4 | 0 | 0 | 113.3 | A1841 E1842 A1843 | A1841-E1845 PolarHBondContact O-N 2.9Å; E1842-E1845 PolarHBondContact O-N 3.4Å; A1843-E1845 VanDerWaalsContact C-N 3.29Å; A1843-E1845 PolarHBondContact O-N 2.91Å |
| 1846 | V | 85.8 | Confident | 89.7 | Confident | 46 Ų | 46 | 47.5 Ų | 47.5 | 28% | 0.279 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -106.8 | -27.8 | -171.7 | -161.1 | 0 | 0 | 0 | 0 | 112.8 | I742 W1820 A1843 L1844 | I742-V1846 HydrophobicContact CD1-CG2 3.85Å; W1820-V1846 HydrophobicContact CZ2-CG2 4.33Å; A1843-V1846 PolarHBondContact O-N 2.9Å; L1844-V1846 VanDerWaalsContact C-N 3.27Å; L1844-V1846 PolarHBondContact O-N 2.84Å |
| 1847 | N | 88.1 | Confident | 89.7 | Confident | 27 Ų | 27 | 47.6 Ų | 47.6 | 14% | 0.144 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -109.2 | 164.9 | -172.6 | -56.4 | -69.3 | 0 | 0 | 0 | 112.6 | F1817 W1820 A1843 H1849 | F1817-N1847 HydrophobicContact CD2-CB 4.04Å; F1817-N1847 HydrophobicContact CE2-CB 4.2Å; W1820-N1847 PolarHBondContact NE1-ND2 3.36Å; A1843-N1847 WeakPolarHBondContact O-CB 3.15Å; A1843-N1847 PolarHBondContact O-N 3.21Å; A1843-N1847 VanDerWaalsContact O-N 3.09Å; A1843-N1847 PolarHBondContact O-ND2 3.44Å; N1847-H1849 PolarHBondContact O-N 3.5Å |
| 1848 | D | 87 | Confident | 89.8 | Confident | 101 Ų | 101 | 49.2 Ų | 49.2 | 54% | 0.54 | 25% | 0.246 | S | C | . | . | trans | -63.3 | 125 | 172.5 | -177.9 | -87.9 | 0 | 0 | 0 | 110.6 | F1850 L1851 L1852 | D1848-F1850 VanDerWaalsContact C-N 3.33Å; D1848-F1850 PolarHBondContact O-N 3.37Å; D1848-F1850 WeakPolarHBondContact OD1-CA 3.47Å; D1848-F1850 WeakPolarHBondContact OD1-CB 3.36Å; D1848-F1850 PolarHBondContact OD1-N 2.99Å; D1848-L1851 HydrophobicContact CB-CB 4.07Å; D1848-L1851 PolarHBondContact O-N 3.33Å; D1848-L1851 PolarHBondContact OD1-N 3.08Å; D1848-L1852 WeakPolarHBondContact O-CB 3.44Å; D1848-L1852 PolarHBondContact O-N 3.38Å | ||
| 1849 | H | 88.9 | Confident | 89.8 | Confident | 85 Ų | 85 | 43 Ų | 43 | 39% | 0.394 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.2 | -39.7 | -174.4 | -70.4 | -154.6 | 0 | 0 | 0 | 112.2 | L1844 N1847 Y1853 F1880 | L1844-H1849 HydrophobicContact CD2-CB 4.1Å; L1844-H1849 PolarHBondContact O-CD2 2.91Å; L1844-H1849 VanDerWaalsContact O-CD2 3.28Å; L1844-H1849 PolarHBondContact O-NE2 3.31Å; L1844-H1849 VanDerWaalsContact O-NE2 3.16Å; N1847-H1849 PolarHBondContact O-N 3.5Å; H1849-Y1853 HydrophobicContact CB-CD2 4.44Å; H1849-Y1853 HydrophobicContact CB-CE2 4.32Å; H1849-Y1853 WeakPolarHBondContact O-CB 3.32Å; H1849-Y1853 WeakPolarHBondContact O-CD2 3.43Å; H1849-Y1853 VanDerWaalsContact O-CG 3.27Å; H1849-Y1853 PolarHBondContact O-N 3.39Å; H1849-F1880 HydrophobicContact CB-CZ 3.82Å |
| 1850 | F | 87.7 | Confident | 89.7 | Confident | 51 Ų | 51 | 43.2 Ų | 43.2 | 22% | 0.224 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.3 | -44.3 | -178.6 | 180 | -104.6 | 0 | 0 | 0 | 110.3 | D1848 S1854 F1880 E1885 C1886 M1889 | D1848-F1850 VanDerWaalsContact C-N 3.33Å; D1848-F1850 PolarHBondContact O-N 3.37Å; D1848-F1850 WeakPolarHBondContact OD1-CA 3.47Å; D1848-F1850 WeakPolarHBondContact OD1-CB 3.36Å; D1848-F1850 PolarHBondContact OD1-N 2.99Å; F1850-S1854 WeakPolarHBondContact O-CB 3.45Å; F1850-S1854 PolarHBondContact O-N 3.44Å; F1850-S1854 PolarHBondContact O-OG 2.94Å; F1850-F1880 HydrophobicContact CB-CD1 4.28Å; F1850-F1880 HydrophobicContact CB-CE1 3.98Å; F1850-F1880 HydrophobicContact CB-CZ 4.1Å; F1850-F1880 HydrophobicContact CD2-CB 4.23Å; F1850-F1880 HydrophobicContact CD2-CD1 4.19Å; F1850-F1880 HydrophobicContact CD2-CD2 4.06Å; F1850-F1880 AromaticContact CD2-CG 3.88Å; F1850-F1880 HydrophobicContact CD2-CG 3.88Å; F1850-E1885 HydrophobicContact CZ-CB 4.03Å; F1850-C1886 HydrophobicContact CE2-CB 3.85Å; F1850-M1889 HydrophobicContact CE2-CE 3.74Å; F1850-M1889 HydrophobicContact CZ-CE 3.68Å |
| 1851 | L | 88 | Confident | 89.4 | Confident | 76 Ų | 76 | 44.1 Ų | 44.1 | 40% | 0.398 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.4 | -48.6 | 176.4 | -173.8 | 65 | 0 | 0 | 0 | 111.5 | F1817 D1848 S1854 H1855 | F1817-L1851 HydrophobicContact CD1-CD2 4.43Å; F1817-L1851 HydrophobicContact CE1-CD2 3.98Å; F1817-L1851 HydrophobicContact CE1-CG 4.1Å; F1817-L1851 HydrophobicContact CE2-CD2 4.13Å; F1817-L1851 HydrophobicContact CE2-CG 4.24Å; F1817-L1851 HydrophobicContact CZ-CD2 3.83Å; F1817-L1851 HydrophobicContact CZ-CG 3.68Å; D1848-L1851 HydrophobicContact CB-CB 4.07Å; D1848-L1851 PolarHBondContact O-N 3.33Å; D1848-L1851 PolarHBondContact OD1-N 3.08Å; L1851-S1854 WeakPolarHBondContact O-CB 3.36Å; L1851-S1854 PolarHBondContact O-N 3.16Å; L1851-H1855 PolarHBondContact O-CD2 3.15Å; L1851-H1855 PolarHBondContact O-N 2.87Å; L1851-H1855 VanDerWaalsContact O-N 3.13Å |
| 1852 | L | 91.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.1 | -48 | -179.7 | -165.9 | 81.8 | 0 | 0 | 0 | 111.7 | F1817 L1824 A1843 L1844 D1848 S1854 H1855 L1856 | F1817-L1852 HydrophobicContact CE2-CB 4.44Å; F1817-L1852 HydrophobicContact CE2-CD1 3.69Å; F1817-L1852 HydrophobicContact CZ-CD1 4.36Å; L1824-L1852 HydrophobicContact CD1-CD1 3.85Å; L1824-L1852 HydrophobicContact CD1-CG 4.4Å; A1843-L1852 HydrophobicContact CB-CD1 4.03Å; A1843-L1852 HydrophobicContact CB-CD2 3.68Å; L1844-L1852 HydrophobicContact CB-CD2 4.37Å; L1844-L1852 HydrophobicContact CD2-CB 4.31Å; L1844-L1852 HydrophobicContact CD2-CD2 3.55Å; L1844-L1852 HydrophobicContact CG-CD2 3.58Å; D1848-L1852 WeakPolarHBondContact O-CB 3.44Å; D1848-L1852 PolarHBondContact O-N 3.38Å; L1852-S1854 VanDerWaalsContact C-N 3.29Å; L1852-S1854 PolarHBondContact O-N 3.14Å; L1852-H1855 PolarHBondContact O-N 2.79Å; L1852-L1856 WeakPolarHBondContact O-CB 3.24Å; L1852-L1856 PolarHBondContact O-N 3.36Å |
| 1853 | Y | 91.7 | Very high | 88.9 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.5 | -34.4 | 177.8 | -70.4 | -41.9 | 0 | 0 | 0 | 112.8 | L1844 H1849 H1855 L1856 L1857 L1872 E1875 K1879 F1880 | L1844-Y1853 HydrophobicContact CD1-CE1 3.78Å; L1844-Y1853 WeakPolarHBondContact CD1-OH 3.31Å; L1844-Y1853 HydrophobicContact CD2-CD1 4.27Å; L1844-Y1853 HydrophobicContact CD2-CE1 3.9Å; L1844-Y1853 HydrophobicContact CD2-CE2 4.1Å; L1844-Y1853 HydrophobicContact CG-CE1 4.39Å; H1849-Y1853 HydrophobicContact CB-CD2 4.44Å; H1849-Y1853 HydrophobicContact CB-CE2 4.32Å; H1849-Y1853 WeakPolarHBondContact O-CB 3.32Å; H1849-Y1853 WeakPolarHBondContact O-CD2 3.43Å; H1849-Y1853 VanDerWaalsContact O-CG 3.27Å; H1849-Y1853 PolarHBondContact O-N 3.39Å; Y1853-H1855 VanDerWaalsContact C-N 3.34Å; Y1853-H1855 PolarHBondContact O-N 3.01Å; Y1853-L1856 HydrophobicContact CD1-CD2 4.46Å; Y1853-L1856 PolarHBondContact O-N 3.29Å; Y1853-L1857 WeakPolarHBondContact O-CB 3.44Å; Y1853-L1857 PolarHBondContact O-N 3.33Å; Y1853-L1872 HydrophobicContact CD1-CD1 3.35Å; Y1853-L1872 HydrophobicContact CE1-CD1 3.81Å; Y1853-L1872 HydrophobicContact CG-CD1 3.97Å; Y1853-E1875 PolarHBondContact OH-OE1 2.88Å; Y1853-K1879 HydrophobicContact CE2-CD 4.04Å; Y1853-K1879 PolarHBondContact OH-NZ 3.31Å; Y1853-F1880 AromaticContact CD2-CE2 3.8Å; Y1853-F1880 HydrophobicContact CD2-CE2 3.8Å; Y1853-F1880 HydrophobicContact CE2-CE2 4.1Å |
| 1854 | S | 88.7 | Confident | 88.6 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 176.1 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | F1850 L1851 L1852 M1889 | F1850-S1854 WeakPolarHBondContact O-CB 3.45Å; F1850-S1854 PolarHBondContact O-N 3.44Å; F1850-S1854 PolarHBondContact O-OG 2.94Å; L1851-S1854 WeakPolarHBondContact O-CB 3.36Å; L1851-S1854 PolarHBondContact O-N 3.16Å; L1852-S1854 VanDerWaalsContact C-N 3.29Å; L1852-S1854 PolarHBondContact O-N 3.14Å; S1854-M1889 VanDerWaalsContact CA-SD 3.59Å; S1854-M1889 VanDerWaalsContact CB-SD 3.56Å; S1854-M1889 VanDerWaalsContact OG-CE 3.29Å; S1854-M1889 WeakPolarHBondContact OG-CE 3.34Å |
| 1855 | H | 90.5 | Very high | 88.5 | Confident | 60 Ų | 60 | 57.9 Ų | 57.9 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -73.2 | -41.7 | 176.1 | -80.9 | -93.6 | 0 | 0 | 0 | 111.9 | L1821 L1851 L1852 Y1853 L1857 K1858 I1859 | L1821-H1855 HydrophobicContact CD2-CB 3.56Å; L1851-H1855 PolarHBondContact O-CD2 3.15Å; L1851-H1855 PolarHBondContact O-N 2.87Å; L1851-H1855 VanDerWaalsContact O-N 3.13Å; L1852-H1855 PolarHBondContact O-N 2.79Å; Y1853-H1855 VanDerWaalsContact C-N 3.34Å; Y1853-H1855 PolarHBondContact O-N 3.01Å; H1855-L1857 VanDerWaalsContact C-N 3.27Å; H1855-L1857 PolarHBondContact O-N 3.24Å; H1855-K1858 WeakPolarHBondContact O-CB 3.48Å; H1855-K1858 PolarHBondContact O-N 2.81Å; H1855-I1859 WeakPolarHBondContact O-CG1 3.38Å; H1855-I1859 PolarHBondContact O-N 2.87Å |
| 1856 | L | 92.1 | Very high | 88.6 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 177.3 | -175.2 | 62.2 | 0 | 0 | 0 | 112 | L1824 M1836 V1840 L1852 Y1853 K1858 I1859 Y1860 L1872 | L1824-L1856 HydrophobicContact CD2-CD1 4.29Å; M1836-L1856 HydrophobicContact CE-CD1 3.4Å; V1840-L1856 HydrophobicContact CG1-CD2 4.11Å; V1840-L1856 HydrophobicContact CG2-CD1 4.34Å; V1840-L1856 HydrophobicContact CG2-CD2 3.9Å; L1852-L1856 WeakPolarHBondContact O-CB 3.24Å; L1852-L1856 PolarHBondContact O-N 3.36Å; Y1853-L1856 HydrophobicContact CD1-CD2 4.46Å; Y1853-L1856 PolarHBondContact O-N 3.29Å; L1856-K1858 VanDerWaalsContact C-N 3.32Å; L1856-K1858 PolarHBondContact O-N 2.87Å; L1856-I1859 WeakPolarHBondContact O-CB 3.45Å; L1856-I1859 PolarHBondContact O-N 3.2Å; L1856-I1859 VanDerWaalsContact O-N 3.14Å; L1856-Y1860 HydrophobicContact CD1-CE1 4.24Å; L1856-Y1860 HydrophobicContact CD1-CE2 3.97Å; L1856-Y1860 HydrophobicContact CD2-CE2 4.01Å; L1856-Y1860 HydrophobicContact CG-CD2 4.16Å; L1856-Y1860 HydrophobicContact CG-CE2 3.71Å; L1856-Y1860 PolarHBondContact O-N 3.21Å; L1856-L1872 HydrophobicContact CB-CD2 3.9Å; L1856-L1872 HydrophobicContact CD2-CD1 4.2Å; L1856-L1872 HydrophobicContact CD2-CD2 3.92Å; L1856-L1872 HydrophobicContact CG-CD2 3.72Å |
| 1857 | L | 91.3 | Very high | 88.7 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63 | -39.4 | 175.2 | -173.7 | 62.1 | 0 | 0 | 0 | 112 | Y1853 H1855 I1859 Y1860 Q1861 L1872 V1873 M1889 Y1893 | Y1853-L1857 WeakPolarHBondContact O-CB 3.44Å; Y1853-L1857 PolarHBondContact O-N 3.33Å; H1855-L1857 VanDerWaalsContact C-N 3.27Å; H1855-L1857 PolarHBondContact O-N 3.24Å; L1857-I1859 VanDerWaalsContact C-N 3.33Å; L1857-Y1860 PolarHBondContact O-N 3.04Å; L1857-Q1861 VanDerWaalsContact O-CB 3.23Å; L1857-Q1861 WeakPolarHBondContact O-CB 3.33Å; L1857-Q1861 PolarHBondContact O-N 3.07Å; L1857-L1872 HydrophobicContact CB-CD2 3.81Å; L1857-L1872 HydrophobicContact CD1-CD2 4.2Å; L1857-V1873 HydrophobicContact CD1-CG2 3.62Å; L1857-V1873 HydrophobicContact CD2-CG2 3.78Å; L1857-V1873 HydrophobicContact CG-CG2 4.37Å; L1857-M1889 HydrophobicContact CD2-CG 3.83Å; L1857-M1889 HydrophobicContact CD2-SD 4.48Å; L1857-Y1893 HydrophobicContact CD1-CD1 4.35Å; L1857-Y1893 HydrophobicContact CD1-CD2 3.72Å; L1857-Y1893 HydrophobicContact CD1-CE1 4.48Å; L1857-Y1893 HydrophobicContact CD1-CE2 3.92Å; L1857-Y1893 HydrophobicContact CD1-CG 3.95Å; L1857-Y1893 HydrophobicContact CD2-CG 4.27Å; L1857-Y1893 HydrophobicContact CG-CD2 4.09Å; L1857-Y1893 HydrophobicContact CG-CG 4.25Å |
| 1858 | K | 89.8 | Confident | 88.7 | Confident | 114 Ų | 114 | 60.2 Ų | 60.2 | 50% | 0.496 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 173.7 | -66.2 | 174.1 | -177.9 | 175.5 | 0 | 112 | H1855 L1856 Q1861 K1862 | H1855-K1858 WeakPolarHBondContact O-CB 3.48Å; H1855-K1858 PolarHBondContact O-N 2.81Å; L1856-K1858 VanDerWaalsContact C-N 3.32Å; L1856-K1858 PolarHBondContact O-N 2.87Å; K1858-Q1861 PolarHBondContact O-N 2.91Å; K1858-K1862 WeakPolarHBondContact O-CB 3.4Å; K1858-K1862 WeakPolarHBondContact O-CG 3.36Å; K1858-K1862 PolarHBondContact O-N 2.94Å |
| 1859 | I | 89.8 | Confident | 88.9 | Confident | 14 Ų | 14 | 55.4 Ų | 55.4 | 7% | 0.072 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64 | -50.1 | 175.1 | -63.9 | 173.5 | 0 | 0 | 0 | 110 | L1824 N1825 N1828 H1855 L1856 L1857 Q1861 K1862 S1863 | L1824-I1859 HydrophobicContact CB-CD1 3.99Å; N1825-I1859 VanDerWaalsContact OD1-CD1 3.31Å; N1825-I1859 WeakPolarHBondContact OD1-CD1 3.37Å; N1825-I1859 VanDerWaalsContact OD1-CG1 3.25Å; N1825-I1859 WeakPolarHBondContact OD1-CG1 3.15Å; N1825-I1859 WeakPolarHBondContact OD1-CG2 3.47Å; N1828-I1859 HydrophobicContact CB-CG2 3.94Å; H1855-I1859 WeakPolarHBondContact O-CG1 3.38Å; H1855-I1859 PolarHBondContact O-N 2.87Å; L1856-I1859 WeakPolarHBondContact O-CB 3.45Å; L1856-I1859 PolarHBondContact O-N 3.2Å; L1856-I1859 VanDerWaalsContact O-N 3.14Å; L1857-I1859 VanDerWaalsContact C-N 3.33Å; I1859-Q1861 VanDerWaalsContact C-N 3.29Å; I1859-Q1861 PolarHBondContact O-N 3.07Å; I1859-K1862 PolarHBondContact O-N 3.37Å; I1859-S1863 WeakPolarHBondContact O-CB 3.29Å; I1859-S1863 PolarHBondContact O-N 3.4Å; I1859-S1863 PolarHBondContact O-OG 3.34Å |
| 1860 | Y | 91.2 | Very high | 89.1 | Confident | 10 Ų | 10 | 53.4 Ų | 53.4 | 4% | 0.039 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.5 | -35.6 | 176.4 | -68.2 | -31.9 | 0 | 0 | 0 | 112.9 | N1828 M1836 L1856 L1857 S1863 H1864 K1865 Q1868 L1872 | N1828-Y1860 WeakPolarHBondContact OD1-CE1 3.49Å; M1836-Y1860 HydrophobicContact CE-CE1 3.96Å; L1856-Y1860 HydrophobicContact CD1-CE1 4.24Å; L1856-Y1860 HydrophobicContact CD1-CE2 3.97Å; L1856-Y1860 HydrophobicContact CD2-CE2 4.01Å; L1856-Y1860 HydrophobicContact CG-CD2 4.16Å; L1856-Y1860 HydrophobicContact CG-CE2 3.71Å; L1856-Y1860 PolarHBondContact O-N 3.21Å; L1857-Y1860 PolarHBondContact O-N 3.04Å; Y1860-S1863 WeakPolarHBondContact CA-OG 3.27Å; Y1860-S1863 PolarHBondContact O-OG 3.44Å; Y1860-H1864 PolarHBondContact O-N 2.8Å; Y1860-H1864 VanDerWaalsContact O-N 3.1Å; Y1860-K1865 HydrophobicContact CD1-CB 4.09Å; Y1860-K1865 HydrophobicContact CD1-CD 4.25Å; Y1860-K1865 HydrophobicContact CE1-CD 4.46Å; Y1860-K1865 PolarHBondContact O-N 3.4Å; Y1860-Q1868 HydrophobicContact CD1-CB 4.24Å; Y1860-Q1868 HydrophobicContact CD2-CB 4Å; Y1860-Q1868 HydrophobicContact CE1-CB 4.14Å; Y1860-Q1868 HydrophobicContact CE2-CB 3.88Å; Y1860-Q1868 HydrophobicContact CG-CB 4.18Å; Y1860-L1872 HydrophobicContact CD2-CB 4.46Å; Y1860-L1872 HydrophobicContact CD2-CD2 3.84Å; Y1860-L1872 HydrophobicContact CE2-CD2 4.03Å |
| 1861 | Q | 85.4 | Confident | 89.2 | Confident | 36 Ų | 36 | 57.1 Ų | 57.1 | 17% | 0.168 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 173.9 | -173.9 | -174.3 | -12.7 | 0 | 0 | 112.1 | L1857 K1858 I1859 H1864 Y1893 M1896 | L1857-Q1861 VanDerWaalsContact O-CB 3.23Å; L1857-Q1861 WeakPolarHBondContact O-CB 3.33Å; L1857-Q1861 PolarHBondContact O-N 3.07Å; K1858-Q1861 PolarHBondContact O-N 2.91Å; I1859-Q1861 VanDerWaalsContact C-N 3.29Å; I1859-Q1861 PolarHBondContact O-N 3.07Å; Q1861-H1864 PolarHBondContact O-N 2.98Å; Q1861-Y1893 HydrophobicContact CB-CD2 4.12Å; Q1861-Y1893 HydrophobicContact CB-CE2 4.34Å; Q1861-Y1893 HydrophobicContact CG-CD2 4.25Å; Q1861-M1896 PolarHBondContact NE2-SD 3.21Å |
| 1862 | K | 85.6 | Confident | 89.4 | Confident | 177 Ų | 177 | 53.9 Ų | 53.9 | 77% | 0.77 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -67.4 | -34.6 | 179.3 | -77.3 | -175.9 | 175.7 | -168.8 | 0 | 113 | K1858 I1859 H1864 | K1858-K1862 WeakPolarHBondContact O-CB 3.4Å; K1858-K1862 WeakPolarHBondContact O-CG 3.36Å; K1858-K1862 PolarHBondContact O-N 2.94Å; I1859-K1862 PolarHBondContact O-N 3.37Å; K1862-H1864 VanDerWaalsContact C-N 3.27Å |
| 1863 | S | 87 | Confident | 89.5 | Confident | 43 Ų | 43 | 53.9 Ų | 53.9 | 30% | 0.301 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 5.6 | 177.1 | 55.3 | 0 | 0 | 0 | 0 | 113.8 | N1828 I1859 Y1860 K1865 | N1828-S1863 WeakPolarHBondContact ND2-CB 3.29Å; N1828-S1863 PolarHBondContact ND2-OG 3.29Å; I1859-S1863 WeakPolarHBondContact O-CB 3.29Å; I1859-S1863 PolarHBondContact O-N 3.4Å; I1859-S1863 PolarHBondContact O-OG 3.34Å; Y1860-S1863 WeakPolarHBondContact CA-OG 3.27Å; Y1860-S1863 PolarHBondContact O-OG 3.44Å; S1863-K1865 PolarHBondContact O-N 2.69Å; S1863-K1865 VanDerWaalsContact O-N 3.1Å |
| 1864 | H | 84.6 | Confident | 89.5 | Confident | 159 Ų | 159 | 57 Ų | 57 | 74% | 0.736 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 25.7 | -179.3 | -56 | -77.2 | 0 | 0 | 0 | 114.4 | Y1860 Q1861 K1862 V1866 | Y1860-H1864 PolarHBondContact O-N 2.8Å; Y1860-H1864 VanDerWaalsContact O-N 3.1Å; Q1861-H1864 PolarHBondContact O-N 2.98Å; K1862-H1864 VanDerWaalsContact C-N 3.27Å; H1864-V1866 VanDerWaalsContact C-N 3.29Å; H1864-V1866 PolarHBondContact O-N 2.85Å |
| 1865 | K | 87.3 | Confident | 89.5 | Confident | 55 Ų | 55 | 60 Ų | 60 | 24% | 0.239 | 29% | 0.293 | C | S | . | . | trans | -82.2 | 71.5 | 175.5 | -72.3 | -166 | -172.7 | 172.8 | 0 | 111.4 | N1828 Y1860 S1863 Q1867 Q1868 G1869 | N1828-K1865 WeakPolarHBondContact O-CE 3.25Å; N1828-K1865 PolarHBondContact O-NZ 2.89Å; N1828-K1865 VanDerWaalsContact OD1-CD 3.3Å; N1828-K1865 WeakPolarHBondContact OD1-CD 3.49Å; N1828-K1865 VanDerWaalsContact OD1-CE 3.27Å; N1828-K1865 WeakPolarHBondContact OD1-CE 3.4Å; N1828-K1865 PolarHBondContact OD1-NZ 2.89Å; Y1860-K1865 HydrophobicContact CD1-CB 4.09Å; Y1860-K1865 HydrophobicContact CD1-CD 4.25Å; Y1860-K1865 HydrophobicContact CE1-CD 4.46Å; Y1860-K1865 PolarHBondContact O-N 3.4Å; S1863-K1865 PolarHBondContact O-N 2.69Å; S1863-K1865 VanDerWaalsContact O-N 3.1Å; K1865-Q1867 PolarHBondContact O-N 2.67Å; K1865-Q1868 HydrophobicContact CB-CB 4.42Å; K1865-Q1868 PolarHBondContact O-N 3.32Å; K1865-G1869 PolarHBondContact O-N 3.11Å | ||
| 1866 | V | 88.5 | Confident | 89.5 | Confident | 59 Ų | 59 | 57.1 Ų | 57.1 | 36% | 0.358 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | -170.2 | -179.4 | 0 | 0 | 0 | 0 | 113.1 | H1864 G1869 D1870 Y1893 | H1864-V1866 VanDerWaalsContact C-N 3.29Å; H1864-V1866 PolarHBondContact O-N 2.85Å; V1866-G1869 PolarHBondContact O-N 3.21Å; V1866-D1870 PolarHBondContact O-N 2.97Å; V1866-Y1893 PolarHBondContact O-OH 3.36Å |
| 1867 | Q | 87.8 | Confident | 89.5 | Confident | 153 Ų | 153 | 57.4 Ų | 57.4 | 72% | 0.715 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.2 | -47 | -178.3 | -67.6 | -177.8 | 1.5 | 0 | 0 | 111.9 | K1865 G1869 D1870 L1871 | K1865-Q1867 PolarHBondContact O-N 2.67Å; Q1867-G1869 VanDerWaalsContact C-N 3.34Å; Q1867-D1870 PolarHBondContact O-N 3.01Å; Q1867-L1871 WeakPolarHBondContact O-CG 3.39Å; Q1867-L1871 PolarHBondContact O-N 3.04Å |
| 1868 | Q | 89.3 | Confident | 89.3 | Confident | 49 Ų | 49 | 62.6 Ų | 62.6 | 23% | 0.229 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.8 | -41 | 176.1 | -65.8 | 85.2 | -15.8 | 0 | 0 | 111.2 | Y1860 K1865 D1870 L1871 L1872 | Y1860-Q1868 HydrophobicContact CD1-CB 4.24Å; Y1860-Q1868 HydrophobicContact CD2-CB 4Å; Y1860-Q1868 HydrophobicContact CE1-CB 4.14Å; Y1860-Q1868 HydrophobicContact CE2-CB 3.88Å; Y1860-Q1868 HydrophobicContact CG-CB 4.18Å; K1865-Q1868 HydrophobicContact CB-CB 4.42Å; K1865-Q1868 PolarHBondContact O-N 3.32Å; Q1868-D1870 VanDerWaalsContact C-N 3.34Å; Q1868-D1870 PolarHBondContact O-N 3.34Å; Q1868-L1871 PolarHBondContact O-N 3.37Å; Q1868-L1872 WeakPolarHBondContact O-CB 3.3Å; Q1868-L1872 PolarHBondContact O-N 3.48Å |
| 1869 | G | 91 | Very high | 89.2 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1865 V1866 Q1867 L1872 V1873 Y1893 | K1865-G1869 PolarHBondContact O-N 3.11Å; V1866-G1869 PolarHBondContact O-N 3.21Å; Q1867-G1869 VanDerWaalsContact C-N 3.34Å; G1869-L1872 PolarHBondContact O-N 3.21Å; G1869-V1873 WeakPolarHBondContact O-CG2 3.48Å; G1869-V1873 PolarHBondContact O-N 2.89Å; G1869-Y1893 WeakPolarHBondContact CA-OH 3.43Å |
| 1870 | D | 92 | Very high | 89.3 | Confident | 43 Ų | 43 | 63.3 Ų | 63.3 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.2 | -40.6 | 179.1 | -68.8 | 0.5 | 0 | 0 | 0 | 112.5 | V1866 Q1867 Q1868 L1872 V1873 T1874 Y1893 R1899 | V1866-D1870 PolarHBondContact O-N 2.97Å; Q1867-D1870 PolarHBondContact O-N 3.01Å; Q1868-D1870 VanDerWaalsContact C-N 3.34Å; Q1868-D1870 PolarHBondContact O-N 3.34Å; D1870-L1872 VanDerWaalsContact C-N 3.31Å; D1870-V1873 PolarHBondContact O-N 2.91Å; D1870-T1874 WeakPolarHBondContact O-CB 3.39Å; D1870-T1874 PolarHBondContact O-N 2.77Å; D1870-T1874 PolarHBondContact O-OG1 3.06Å; D1870-Y1893 PolarHBondContact N-OH 3.19Å; D1870-Y1893 WeakPolarHBondContact OD1-CE1 3.48Å; D1870-Y1893 PolarHBondContact OD1-OH 3.24Å; D1870-R1899 IonicContact OD1-CZ 3.28Å; D1870-R1899 IonicContact OD1-NH1 3.9Å; D1870-R1899 PolarHBondContact OD1-NH1 3.3Å; D1870-R1899 IonicContact OD1-NH2 2.72Å; D1870-R1899 PolarHBondContact OD1-NH2 3.46Å; D1870-R1899 IonicContact OD2-CZ 2.83Å; D1870-R1899 IonicContact OD2-NH1 3Å; D1870-R1899 PolarHBondContact OD2-NH1 3.43Å |
| 1871 | L | 90.8 | Very high | 89.1 | Confident | 129 Ų | 129 | 71.2 Ų | 71.2 | 68% | 0.675 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.9 | -44.5 | 171.8 | -71.6 | 172 | 0 | 0 | 0 | 110.7 | Q1867 Q1868 T1874 E1875 | Q1867-L1871 WeakPolarHBondContact O-CG 3.39Å; Q1867-L1871 PolarHBondContact O-N 3.04Å; Q1868-L1871 PolarHBondContact O-N 3.37Å; L1871-T1874 WeakPolarHBondContact O-CB 3.5Å; L1871-T1874 PolarHBondContact O-N 3.18Å; L1871-E1875 PolarHBondContact O-N 3.25Å |
| 1872 | L | 92.3 | Very high | 88.9 | Confident | 7 Ų | 7 | 73.9 Ų | 73.9 | 4% | 0.037 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 178.3 | -178.7 | 63.2 | 0 | 0 | 0 | 112.5 | Y1853 L1856 L1857 Y1860 Q1868 G1869 D1870 T1874 E1875 L1876 | Y1853-L1872 HydrophobicContact CD1-CD1 3.35Å; Y1853-L1872 HydrophobicContact CE1-CD1 3.81Å; Y1853-L1872 HydrophobicContact CG-CD1 3.97Å; L1856-L1872 HydrophobicContact CB-CD2 3.9Å; L1856-L1872 HydrophobicContact CD2-CD1 4.2Å; L1856-L1872 HydrophobicContact CD2-CD2 3.92Å; L1856-L1872 HydrophobicContact CG-CD2 3.72Å; L1857-L1872 HydrophobicContact CB-CD2 3.81Å; L1857-L1872 HydrophobicContact CD1-CD2 4.2Å; Y1860-L1872 HydrophobicContact CD2-CB 4.46Å; Y1860-L1872 HydrophobicContact CD2-CD2 3.84Å; Y1860-L1872 HydrophobicContact CE2-CD2 4.03Å; Q1868-L1872 WeakPolarHBondContact O-CB 3.3Å; Q1868-L1872 PolarHBondContact O-N 3.48Å; G1869-L1872 PolarHBondContact O-N 3.21Å; D1870-L1872 VanDerWaalsContact C-N 3.31Å; L1872-T1874 VanDerWaalsContact C-N 3.28Å; L1872-T1874 PolarHBondContact O-N 2.98Å; L1872-E1875 PolarHBondContact O-N 2.94Å; L1872-L1876 WeakPolarHBondContact O-CB 3.46Å; L1872-L1876 PolarHBondContact O-N 2.94Å |
| 1873 | V | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.9 | -42 | 173.4 | 167.5 | 0 | 0 | 0 | 0 | 110.7 | L1857 G1869 D1870 L1876 L1877 A1890 Y1893 Y1894 | L1857-V1873 HydrophobicContact CD1-CG2 3.62Å; L1857-V1873 HydrophobicContact CD2-CG2 3.78Å; L1857-V1873 HydrophobicContact CG-CG2 4.37Å; G1869-V1873 WeakPolarHBondContact O-CG2 3.48Å; G1869-V1873 PolarHBondContact O-N 2.89Å; D1870-V1873 PolarHBondContact O-N 2.91Å; V1873-L1876 PolarHBondContact O-N 2.69Å; V1873-L1877 HydrophobicContact CG1-CD1 3.91Å; V1873-L1877 HydrophobicContact CG1-CG 4.31Å; V1873-L1877 WeakPolarHBondContact O-CB 3.48Å; V1873-L1877 WeakPolarHBondContact O-CG 3.31Å; V1873-L1877 PolarHBondContact O-N 2.67Å; V1873-A1890 HydrophobicContact CG1-CB 3.68Å; V1873-Y1893 HydrophobicContact CG2-CD1 3.55Å; V1873-Y1893 HydrophobicContact CG2-CE1 3.86Å; V1873-Y1893 HydrophobicContact CG2-CG 4.16Å; V1873-Y1894 HydrophobicContact CG1-CE2 3.95Å |
| 1874 | T | 91.6 | Very high | 88.8 | Confident | 71 Ų | 71 | 72.2 Ų | 72.2 | 44% | 0.436 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 177.1 | -57.9 | 0 | 0 | 0 | 0 | 110.8 | D1870 L1871 L1872 N1878 | D1870-T1874 WeakPolarHBondContact O-CB 3.39Å; D1870-T1874 PolarHBondContact O-N 2.77Å; D1870-T1874 PolarHBondContact O-OG1 3.06Å; L1871-T1874 WeakPolarHBondContact O-CB 3.5Å; L1871-T1874 PolarHBondContact O-N 3.18Å; L1872-T1874 VanDerWaalsContact C-N 3.28Å; L1872-T1874 PolarHBondContact O-N 2.98Å; T1874-N1878 VanDerWaalsContact O-CB 3.31Å; T1874-N1878 WeakPolarHBondContact O-CB 3.48Å; T1874-N1878 PolarHBondContact O-N 2.9Å; T1874-N1878 PolarHBondContact O-ND2 3.42Å |
| 1875 | E | 89.9 | Confident | 88.9 | Confident | 74 Ų | 74 | 68 Ų | 68 | 35% | 0.346 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 176.6 | -168.8 | 174.1 | -165.9 | 0 | 0 | 112.4 | Y1853 L1871 L1872 N1878 K1879 | Y1853-E1875 PolarHBondContact OH-OE1 2.88Å; L1871-E1875 PolarHBondContact O-N 3.25Å; L1872-E1875 PolarHBondContact O-N 2.94Å; E1875-N1878 PolarHBondContact O-N 3.11Å; E1875-K1879 HydrophobicContact CG-CD 4.1Å; E1875-K1879 WeakPolarHBondContact O-CB 3.31Å; E1875-K1879 WeakPolarHBondContact O-CG 3.34Å; E1875-K1879 PolarHBondContact O-N 2.93Å; E1875-K1879 WeakPolarHBondContact OE1-CE 3.41Å; E1875-K1879 IonicContact OE1-NZ 3.66Å; E1875-K1879 PolarHBondContact OE1-NZ 3.5Å |
| 1876 | L | 90 | Very high | 89 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -46.6 | 179.1 | -176.5 | 128.6 | 0 | 0 | 0 | 111.5 | L1872 V1873 N1878 K1879 F1880 C1886 M1889 | L1872-L1876 WeakPolarHBondContact O-CB 3.46Å; L1872-L1876 PolarHBondContact O-N 2.94Å; V1873-L1876 PolarHBondContact O-N 2.69Å; L1876-N1878 VanDerWaalsContact C-N 3.34Å; L1876-N1878 PolarHBondContact O-N 2.95Å; L1876-K1879 PolarHBondContact O-N 3.3Å; L1876-F1880 HydrophobicContact CG-CD2 4.45Å; L1876-F1880 WeakPolarHBondContact O-CB 3.36Å; L1876-F1880 WeakPolarHBondContact O-CD2 3.48Å; L1876-F1880 PolarHBondContact O-N 3.44Å; L1876-C1886 HydrophobicContact CD2-CB 3.64Å; L1876-C1886 HydrophobicContact CG-CB 4.44Å; L1876-M1889 HydrophobicContact CD1-CE 3.86Å; L1876-M1889 HydrophobicContact CD2-CE 4.05Å |
| 1877 | L | 90.9 | Very high | 89.3 | Confident | 9 Ų | 9 | 62.7 Ų | 62.7 | 5% | 0.047 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.4 | -36.1 | 175.4 | -68.7 | 176.6 | 0 | 0 | 0 | 111.7 | V1873 R1881 W1887 A1890 T1906 | V1873-L1877 HydrophobicContact CG1-CD1 3.91Å; V1873-L1877 HydrophobicContact CG1-CG 4.31Å; V1873-L1877 WeakPolarHBondContact O-CB 3.48Å; V1873-L1877 WeakPolarHBondContact O-CG 3.31Å; V1873-L1877 PolarHBondContact O-N 2.67Å; L1877-R1881 WeakPolarHBondContact O-CA 3.35Å; L1877-R1881 VanDerWaalsContact O-CB 3.24Å; L1877-R1881 WeakPolarHBondContact O-CB 3.37Å; L1877-R1881 PolarHBondContact O-N 2.83Å; L1877-R1881 VanDerWaalsContact O-N 3.08Å; L1877-W1887 HydrophobicContact CD1-CE3 4.49Å; L1877-W1887 HydrophobicContact CD1-CZ3 4.16Å; L1877-W1887 HydrophobicContact CD2-CD2 3.78Å; L1877-W1887 HydrophobicContact CD2-CE3 3.64Å; L1877-W1887 HydrophobicContact CD2-CG 4.37Å; L1877-W1887 HydrophobicContact CD2-CH2 4.24Å; L1877-W1887 HydrophobicContact CD2-CZ2 4.36Å; L1877-W1887 HydrophobicContact CD2-CZ3 3.89Å; L1877-A1890 HydrophobicContact CD1-CB 4.09Å; L1877-A1890 HydrophobicContact CD2-CB 4.05Å; L1877-A1890 HydrophobicContact CG-CB 4.22Å; L1877-T1906 HydrophobicContact CD1-CG2 4.22Å |
| 1878 | N | 88.4 | Confident | 89.4 | Confident | 112 Ų | 112 | 55.7 Ų | 55.7 | 60% | 0.599 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67 | -44.4 | 177.3 | -76.1 | -20.6 | 0 | 0 | 0 | 112.2 | T1874 E1875 L1876 | T1874-N1878 VanDerWaalsContact O-CB 3.31Å; T1874-N1878 WeakPolarHBondContact O-CB 3.48Å; T1874-N1878 PolarHBondContact O-N 2.9Å; T1874-N1878 PolarHBondContact O-ND2 3.42Å; E1875-N1878 PolarHBondContact O-N 3.11Å; L1876-N1878 VanDerWaalsContact C-N 3.34Å; L1876-N1878 PolarHBondContact O-N 2.95Å |
| 1879 | K | 88.2 | Confident | 89.4 | Confident | 104 Ų | 104 | 54.5 Ų | 54.5 | 45% | 0.452 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -77.9 | -34.5 | -178.3 | -71.5 | -177.6 | -176.9 | 175.1 | 0 | 113 | Y1853 E1875 L1876 | Y1853-K1879 HydrophobicContact CE2-CD 4.04Å; Y1853-K1879 PolarHBondContact OH-NZ 3.31Å; E1875-K1879 HydrophobicContact CG-CD 4.1Å; E1875-K1879 WeakPolarHBondContact O-CB 3.31Å; E1875-K1879 WeakPolarHBondContact O-CG 3.34Å; E1875-K1879 PolarHBondContact O-N 2.93Å; E1875-K1879 WeakPolarHBondContact OE1-CE 3.41Å; E1875-K1879 IonicContact OE1-NZ 3.66Å; E1875-K1879 PolarHBondContact OE1-NZ 3.5Å; L1876-K1879 PolarHBondContact O-N 3.3Å |
| 1880 | F | 91.4 | Very high | 89.4 | Confident | 40 Ų | 40 | 54.5 Ų | 54.5 | 18% | 0.175 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -121.7 | 21.9 | -168.9 | -55 | -78.1 | 0 | 0 | 0 | 114.6 | H1849 F1850 Y1853 L1876 S1882 E1883 C1886 | H1849-F1880 HydrophobicContact CB-CZ 3.82Å; F1850-F1880 HydrophobicContact CB-CD1 4.28Å; F1850-F1880 HydrophobicContact CB-CE1 3.98Å; F1850-F1880 HydrophobicContact CB-CZ 4.1Å; F1850-F1880 HydrophobicContact CD2-CB 4.23Å; F1850-F1880 HydrophobicContact CD2-CD1 4.19Å; F1850-F1880 HydrophobicContact CD2-CD2 4.06Å; F1850-F1880 AromaticContact CD2-CG 3.88Å; F1850-F1880 HydrophobicContact CD2-CG 3.88Å; Y1853-F1880 AromaticContact CD2-CE2 3.8Å; Y1853-F1880 HydrophobicContact CD2-CE2 3.8Å; Y1853-F1880 HydrophobicContact CE2-CE2 4.1Å; L1876-F1880 HydrophobicContact CG-CD2 4.45Å; L1876-F1880 WeakPolarHBondContact O-CB 3.36Å; L1876-F1880 WeakPolarHBondContact O-CD2 3.48Å; L1876-F1880 PolarHBondContact O-N 3.44Å; F1880-S1882 PolarHBondContact O-N 3.33Å; F1880-E1883 HydrophobicContact CB-CB 4.47Å; F1880-E1883 HydrophobicContact CB-CG 4.46Å; F1880-E1883 WeakPolarHBondContact O-CB 3.5Å; F1880-E1883 PolarHBondContact O-N 3.37Å; F1880-C1886 HydrophobicContact CB-CB 4.19Å; F1880-C1886 PolarHBondContact O-SG 2.8Å |
| 1881 | R | 86.5 | Confident | 89.3 | Confident | 176 Ų | 176 | 52.5 Ų | 52.5 | 66% | 0.664 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.2 | -25.3 | -178.2 | 67.2 | -177.8 | -167.6 | 153.6 | 3 | 117 | L1877 W1887 | L1877-R1881 WeakPolarHBondContact O-CA 3.35Å; L1877-R1881 VanDerWaalsContact O-CB 3.24Å; L1877-R1881 WeakPolarHBondContact O-CB 3.37Å; L1877-R1881 PolarHBondContact O-N 2.83Å; L1877-R1881 VanDerWaalsContact O-N 3.08Å; R1881-W1887 HydrophobicContact CB-CZ2 4.35Å; R1881-W1887 PolarHBondContact O-NE1 3.23Å |
| 1882 | S | 81.4 | Confident | 89.2 | Confident | 91 Ų | 91 | 50.1 Ų | 50.1 | 64% | 0.636 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -16.1 | 179.4 | 53.7 | 0 | 0 | 0 | 0 | 114.2 | F1880 | F1880-S1882 PolarHBondContact O-N 3.33Š|
| 1883 | E | 84.6 | Confident | 89.2 | Confident | 98 Ų | 98 | 49.9 Ų | 49.9 | 46% | 0.458 | 24% | 0.239 | S | C | . | . | trans | -85.8 | 121.5 | 179.2 | -67.9 | -60.7 | 159.2 | 0 | 0 | 109.9 | F1880 E1885 C1886 | F1880-E1883 HydrophobicContact CB-CB 4.47Å; F1880-E1883 HydrophobicContact CB-CG 4.46Å; F1880-E1883 WeakPolarHBondContact O-CB 3.5Å; F1880-E1883 PolarHBondContact O-N 3.37Å; E1883-E1885 VanDerWaalsContact C-N 3.27Å; E1883-E1885 PolarHBondContact O-N 3.43Å; E1883-C1886 HydrophobicContact CB-CB 4.41Å; E1883-C1886 PolarHBondContact O-N 2.98Å; E1883-C1886 PolarHBondContact O-SG 2.78Å | ||
| 1884 | Y | 86.2 | Confident | 89.1 | Confident | 88 Ų | 88 | 50.9 Ų | 50.9 | 35% | 0.345 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.7 | -31.9 | -176.1 | 85.8 | -87.8 | 0 | 0 | 0 | 112.6 | C1886 W1887 I1888 | Y1884-C1886 VanDerWaalsContact C-N 3.27Å; Y1884-C1886 PolarHBondContact O-N 3.16Å; Y1884-W1887 PolarHBondContact O-N 2.89Å; Y1884-I1888 HydrophobicContact CD2-CD1 3.55Å; Y1884-I1888 HydrophobicContact CD2-CG1 4.46Å; Y1884-I1888 HydrophobicContact CE2-CD1 3.52Å; Y1884-I1888 PolarHBondContact O-N 3.23Å |
| 1885 | E | 87.1 | Confident | 88.9 | Confident | 69 Ų | 69 | 47.9 Ų | 47.9 | 32% | 0.322 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.7 | -29.7 | 178.7 | -71.3 | -66.6 | 173.3 | 0 | 0 | 112.4 | F1850 E1883 W1887 I1888 M1889 | F1850-E1885 HydrophobicContact CZ-CB 4.03Å; E1883-E1885 VanDerWaalsContact C-N 3.27Å; E1883-E1885 PolarHBondContact O-N 3.43Å; E1885-W1887 VanDerWaalsContact C-N 3.28Å; E1885-W1887 PolarHBondContact O-N 3.41Å; E1885-I1888 PolarHBondContact O-N 3.18Å; E1885-M1889 VanDerWaalsContact O-CB 3.29Å; E1885-M1889 WeakPolarHBondContact O-CB 3.44Å; E1885-M1889 PolarHBondContact O-N 3.29Å |
| 1886 | C | 89.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.7 | -36.8 | 178.3 | 87.6 | 0 | 0 | 0 | 0 | 111.6 | F1850 L1876 F1880 E1883 Y1884 A1890 | F1850-C1886 HydrophobicContact CE2-CB 3.85Å; L1876-C1886 HydrophobicContact CD2-CB 3.64Å; L1876-C1886 HydrophobicContact CG-CB 4.44Å; F1880-C1886 HydrophobicContact CB-CB 4.19Å; F1880-C1886 PolarHBondContact O-SG 2.8Å; E1883-C1886 HydrophobicContact CB-CB 4.41Å; E1883-C1886 PolarHBondContact O-N 2.98Å; E1883-C1886 PolarHBondContact O-SG 2.78Å; Y1884-C1886 VanDerWaalsContact C-N 3.27Å; Y1884-C1886 PolarHBondContact O-N 3.16Å; C1886-A1890 WeakPolarHBondContact O-CB 3.29Å; C1886-A1890 PolarHBondContact O-N 3Å |
| 1887 | W | 93 | Very high | 88.5 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.2 | -41.6 | 177.8 | -66.3 | 100.4 | 0 | 0 | 0 | 112.1 | L1877 R1881 Y1884 E1885 M1889 A1890 C1891 T1906 R1909 S1910 S1913 L1922 | L1877-W1887 HydrophobicContact CD1-CE3 4.49Å; L1877-W1887 HydrophobicContact CD1-CZ3 4.16Å; L1877-W1887 HydrophobicContact CD2-CD2 3.78Å; L1877-W1887 HydrophobicContact CD2-CE3 3.64Å; L1877-W1887 HydrophobicContact CD2-CG 4.37Å; L1877-W1887 HydrophobicContact CD2-CH2 4.24Å; L1877-W1887 HydrophobicContact CD2-CZ2 4.36Å; L1877-W1887 HydrophobicContact CD2-CZ3 3.89Å; R1881-W1887 HydrophobicContact CB-CZ2 4.35Å; R1881-W1887 PolarHBondContact O-NE1 3.23Å; Y1884-W1887 PolarHBondContact O-N 2.89Å; E1885-W1887 VanDerWaalsContact C-N 3.28Å; E1885-W1887 PolarHBondContact O-N 3.41Å; W1887-M1889 VanDerWaalsContact C-N 3.32Å; W1887-M1889 PolarHBondContact O-N 3.04Å; W1887-A1890 PolarHBondContact O-N 2.74Å; W1887-C1891 WeakPolarHBondContact O-CB 3.28Å; W1887-C1891 PolarHBondContact O-N 3.07Å; W1887-C1891 PolarHBondContact O-SG 3.22Å; W1887-T1906 HydrophobicContact CE3-CG2 3.98Å; W1887-T1906 HydrophobicContact CZ3-CG2 4.2Å; W1887-R1909 HydrophobicContact CH2-CB 4.19Å; W1887-R1909 HydrophobicContact CZ3-CB 3.85Å; W1887-S1910 VanDerWaalsContact CD2-CB 3.49Å; W1887-S1910 VanDerWaalsContact CE3-CB 3.49Å; W1887-S1913 VanDerWaalsContact CZ2-CB 3.46Å; W1887-S1913 WeakPolarHBondContact CZ2-OG 3.35Å; W1887-L1922 HydrophobicContact CB-CD2 4.41Å |
| 1888 | I | 90.7 | Very high | 88.1 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 175.4 | -67.9 | 173.7 | 0 | 0 | 0 | 109.6 | Y1884 E1885 C1891 Q1892 L1922 R1925 M1929 | Y1884-I1888 HydrophobicContact CD2-CD1 3.55Å; Y1884-I1888 HydrophobicContact CD2-CG1 4.46Å; Y1884-I1888 HydrophobicContact CE2-CD1 3.52Å; Y1884-I1888 PolarHBondContact O-N 3.23Å; E1885-I1888 PolarHBondContact O-N 3.18Å; I1888-C1891 PolarHBondContact O-N 2.55Å; I1888-Q1892 HydrophobicContact CG2-CG 4.32Å; I1888-Q1892 WeakPolarHBondContact O-CB 3.28Å; I1888-Q1892 VanDerWaalsContact O-CG 3.3Å; I1888-Q1892 WeakPolarHBondContact O-CG 3.42Å; I1888-Q1892 PolarHBondContact O-N 3.24Å; I1888-L1922 HydrophobicContact CG1-CD2 4.29Å; I1888-R1925 HydrophobicContact CD1-CB 4Å; I1888-R1925 HydrophobicContact CD1-CG 3.77Å; I1888-R1925 HydrophobicContact CG1-CB 4.26Å; I1888-M1929 HydrophobicContact CG2-CE 4.01Å |
| 1889 | M | 88.9 | Confident | 88.1 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 12% | 0.123 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.6 | -42.6 | -178.7 | 179.5 | 166.1 | 38.1 | 0 | 0 | 112.8 | F1850 S1854 L1857 L1876 E1885 W1887 C1891 Q1892 Y1893 | F1850-M1889 HydrophobicContact CE2-CE 3.74Å; F1850-M1889 HydrophobicContact CZ-CE 3.68Å; S1854-M1889 VanDerWaalsContact CA-SD 3.59Å; S1854-M1889 VanDerWaalsContact CB-SD 3.56Å; S1854-M1889 VanDerWaalsContact OG-CE 3.29Å; S1854-M1889 WeakPolarHBondContact OG-CE 3.34Å; L1857-M1889 HydrophobicContact CD2-CG 3.83Å; L1857-M1889 HydrophobicContact CD2-SD 4.48Å; L1876-M1889 HydrophobicContact CD1-CE 3.86Å; L1876-M1889 HydrophobicContact CD2-CE 4.05Å; E1885-M1889 VanDerWaalsContact O-CB 3.29Å; E1885-M1889 WeakPolarHBondContact O-CB 3.44Å; E1885-M1889 PolarHBondContact O-N 3.29Å; W1887-M1889 VanDerWaalsContact C-N 3.32Å; W1887-M1889 PolarHBondContact O-N 3.04Å; M1889-C1891 PolarHBondContact O-N 2.94Å; M1889-Q1892 PolarHBondContact O-N 3.1Å; M1889-Y1893 WeakPolarHBondContact O-CB 3.34Å; M1889-Y1893 PolarHBondContact O-N 2.79Å |
| 1890 | A | 90.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60 | -45.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1873 L1877 C1886 W1887 Y1893 Y1894 T1906 | V1873-A1890 HydrophobicContact CG1-CB 3.68Å; L1877-A1890 HydrophobicContact CD1-CB 4.09Å; L1877-A1890 HydrophobicContact CD2-CB 4.05Å; L1877-A1890 HydrophobicContact CG-CB 4.22Å; C1886-A1890 WeakPolarHBondContact O-CB 3.29Å; C1886-A1890 PolarHBondContact O-N 3Å; W1887-A1890 PolarHBondContact O-N 2.74Å; A1890-Y1893 PolarHBondContact O-N 3.25Å; A1890-Y1894 WeakPolarHBondContact O-CD2 3.26Å; A1890-Y1894 PolarHBondContact O-N 3.29Å; A1890-Y1894 VanDerWaalsContact O-N 3.12Å; A1890-T1906 HydrophobicContact CB-CG2 4.05Å |
| 1891 | C | 90 | Very high | 87.9 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.007 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.6 | -41 | 176.6 | -71.9 | 0 | 0 | 0 | 0 | 112.6 | W1887 I1888 M1889 Y1893 Y1894 M1895 A1903 T1906 F1926 M1929 | W1887-C1891 WeakPolarHBondContact O-CB 3.28Å; W1887-C1891 PolarHBondContact O-N 3.07Å; W1887-C1891 PolarHBondContact O-SG 3.22Å; I1888-C1891 PolarHBondContact O-N 2.55Å; M1889-C1891 PolarHBondContact O-N 2.94Å; C1891-Y1893 VanDerWaalsContact C-N 3.32Å; C1891-Y1893 PolarHBondContact O-N 2.86Å; C1891-Y1894 PolarHBondContact O-N 3.02Å; C1891-M1895 WeakPolarHBondContact O-CB 3.24Å; C1891-M1895 VanDerWaalsContact O-CG 3.31Å; C1891-M1895 WeakPolarHBondContact O-CG 3.46Å; C1891-M1895 PolarHBondContact O-N 3.37Å; C1891-A1903 PolarHBondContact SG-O 2.83Å; C1891-A1903 VanDerWaalsContact SG-O 3.33Å; C1891-T1906 VanDerWaalsContact SG-CG2 3.57Å; C1891-F1926 HydrophobicContact CB-CD1 4.1Å; C1891-F1926 HydrophobicContact CB-CE1 3.58Å; C1891-F1926 WeakPolarHBondContact SG-CE1 3.47Å; C1891-M1929 HydrophobicContact CB-CE 4.19Å; C1891-M1929 HydrophobicContact CB-SD 3.97Å |
| 1892 | Q | 89.5 | Confident | 88 | Confident | 78 Ų | 78 | 47.5 Ų | 47.5 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.8 | -43.8 | 175.8 | -78.7 | -179.9 | -10.2 | 0 | 0 | 111.4 | I1888 M1889 M1895 M1896 M1929 | I1888-Q1892 HydrophobicContact CG2-CG 4.32Å; I1888-Q1892 WeakPolarHBondContact O-CB 3.28Å; I1888-Q1892 VanDerWaalsContact O-CG 3.3Å; I1888-Q1892 WeakPolarHBondContact O-CG 3.42Å; I1888-Q1892 PolarHBondContact O-N 3.24Å; M1889-Q1892 PolarHBondContact O-N 3.1Å; Q1892-M1895 PolarHBondContact O-N 2.85Å; Q1892-M1896 WeakPolarHBondContact O-CB 3.36Å; Q1892-M1896 VanDerWaalsContact O-CG 3.29Å; Q1892-M1896 WeakPolarHBondContact O-CG 3.32Å; Q1892-M1896 PolarHBondContact O-N 3.45Å; Q1892-M1929 HydrophobicContact CB-SD 4.22Å; Q1892-M1929 HydrophobicContact CG-CE 4.18Å; Q1892-M1929 HydrophobicContact CG-CG 3.92Å; Q1892-M1929 HydrophobicContact CG-SD 3.34Å; Q1892-M1929 WeakPolarHBondContact CG-SD 3.45Å |
| 1893 | Y | 91.2 | Very high | 88.5 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -46.8 | 175.9 | 165.6 | -100.8 | 0 | 0 | 0 | 112 | L1857 Q1861 V1866 G1869 D1870 V1873 M1889 A1890 C1891 M1896 T1897 R1899 | L1857-Y1893 HydrophobicContact CD1-CD1 4.35Å; L1857-Y1893 HydrophobicContact CD1-CD2 3.72Å; L1857-Y1893 HydrophobicContact CD1-CE1 4.48Å; L1857-Y1893 HydrophobicContact CD1-CE2 3.92Å; L1857-Y1893 HydrophobicContact CD1-CG 3.95Å; L1857-Y1893 HydrophobicContact CD2-CG 4.27Å; L1857-Y1893 HydrophobicContact CG-CD2 4.09Å; L1857-Y1893 HydrophobicContact CG-CG 4.25Å; Q1861-Y1893 HydrophobicContact CB-CD2 4.12Å; Q1861-Y1893 HydrophobicContact CB-CE2 4.34Å; Q1861-Y1893 HydrophobicContact CG-CD2 4.25Å; V1866-Y1893 PolarHBondContact O-OH 3.36Å; G1869-Y1893 WeakPolarHBondContact CA-OH 3.43Å; D1870-Y1893 PolarHBondContact N-OH 3.19Å; D1870-Y1893 WeakPolarHBondContact OD1-CE1 3.48Å; D1870-Y1893 PolarHBondContact OD1-OH 3.24Å; V1873-Y1893 HydrophobicContact CG2-CD1 3.55Å; V1873-Y1893 HydrophobicContact CG2-CE1 3.86Å; V1873-Y1893 HydrophobicContact CG2-CG 4.16Å; M1889-Y1893 WeakPolarHBondContact O-CB 3.34Å; M1889-Y1893 PolarHBondContact O-N 2.79Å; A1890-Y1893 PolarHBondContact O-N 3.25Å; C1891-Y1893 VanDerWaalsContact C-N 3.32Å; C1891-Y1893 PolarHBondContact O-N 2.86Å; Y1893-M1896 PolarHBondContact O-N 2.91Å; Y1893-T1897 HydrophobicContact CD2-CG2 4.25Å; Y1893-T1897 HydrophobicContact CE2-CG2 3.95Å; Y1893-T1897 WeakPolarHBondContact O-CB 3.19Å; Y1893-T1897 WeakPolarHBondContact O-CG2 3.36Å; Y1893-T1897 PolarHBondContact O-N 3.12Å; Y1893-T1897 PolarHBondContact O-OG1 2.8Å; Y1893-R1899 PolarHBondContact OH-NH2 3Å; Y1893-R1899 VanDerWaalsContact OH-NH2 3.1Å |
| 1894 | Y | 91.5 | Very high | 88.8 | Confident | 22 Ų | 22 | 41.2 Ų | 41.2 | 9% | 0.086 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.1 | -40.3 | 176.4 | -70.4 | -50.1 | 0 | 0 | 0 | 112.8 | V1873 A1890 C1891 T1897 G1898 R1899 L1902 T1906 | V1873-Y1894 HydrophobicContact CG1-CE2 3.95Å; A1890-Y1894 WeakPolarHBondContact O-CD2 3.26Å; A1890-Y1894 PolarHBondContact O-N 3.29Å; A1890-Y1894 VanDerWaalsContact O-N 3.12Å; C1891-Y1894 PolarHBondContact O-N 3.02Å; Y1894-T1897 WeakPolarHBondContact CA-OG1 3.34Å; Y1894-T1897 PolarHBondContact O-N 3.46Å; Y1894-T1897 PolarHBondContact O-OG1 3.28Å; Y1894-G1898 PolarHBondContact O-N 3.39Å; Y1894-R1899 CarbonylContact O-C 3.51Å; Y1894-R1899 WeakPolarHBondContact O-CA 3.47Å; Y1894-R1899 PolarHBondContact O-N 3.49Å; Y1894-L1902 HydrophobicContact CD1-CB 3.94Å; Y1894-L1902 HydrophobicContact CD1-CD1 4.14Å; Y1894-L1902 HydrophobicContact CD2-CB 4.24Å; Y1894-L1902 HydrophobicContact CE1-CB 4.26Å; Y1894-L1902 HydrophobicContact CE1-CD1 4.01Å; Y1894-L1902 HydrophobicContact CG-CB 3.95Å; Y1894-T1906 WeakPolarHBondContact CE2-OG1 3.25Å |
| 1895 | M | 87.7 | Confident | 89 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.039 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.6 | -47.5 | 176.1 | -73.1 | -61.6 | -147.8 | 0 | 0 | 112.1 | C1891 Q1892 T1897 G1898 T1900 A1903 M1929 E1930 C1933 | C1891-M1895 WeakPolarHBondContact O-CB 3.24Å; C1891-M1895 VanDerWaalsContact O-CG 3.31Å; C1891-M1895 WeakPolarHBondContact O-CG 3.46Å; C1891-M1895 PolarHBondContact O-N 3.37Å; Q1892-M1895 PolarHBondContact O-N 2.85Å; M1895-T1897 VanDerWaalsContact C-N 3.25Å; M1895-T1897 PolarHBondContact O-N 3.24Å; M1895-G1898 PolarHBondContact O-N 3.45Å; M1895-T1900 HydrophobicContact SD-CG2 3.95Å; M1895-A1903 HydrophobicContact CE-CB 4.33Å; M1895-A1903 HydrophobicContact CG-CB 3.72Å; M1895-A1903 HydrophobicContact SD-CB 3.72Å; M1895-M1929 HydrophobicContact CG-CB 4.44Å; M1895-E1930 VanDerWaalsContact CE-CD 3.45Å; M1895-E1930 HydrophobicContact CE-CG 3.91Å; M1895-E1930 WeakPolarHBondContact CE-OE1 3.3Å; M1895-C1933 HydrophobicContact CB-CB 3.74Å |
| 1896 | M | 84.8 | Confident | 89.2 | Confident | 109 Ų | 109 | 38.2 Ų | 38.2 | 54% | 0.537 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -71.7 | -18.9 | -178.6 | -69.4 | -176.7 | 72.3 | 0 | 0 | 113.5 | Q1861 Q1892 Y1893 G1898 C1933 | Q1861-M1896 PolarHBondContact NE2-SD 3.21Å; Q1892-M1896 WeakPolarHBondContact O-CB 3.36Å; Q1892-M1896 VanDerWaalsContact O-CG 3.29Å; Q1892-M1896 WeakPolarHBondContact O-CG 3.32Å; Q1892-M1896 PolarHBondContact O-N 3.45Å; Y1893-M1896 PolarHBondContact O-N 2.91Å; M1896-G1898 VanDerWaalsContact C-N 3.3Å; M1896-C1933 HydrophobicContact CG-CB 4.35Å |
| 1897 | T | 86.1 | Confident | 89.2 | Confident | 41 Ų | 41 | 39.3 Ų | 39.3 | 25% | 0.252 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 10.9 | 170.4 | 52.6 | 0 | 0 | 0 | 0 | 112.6 | Y1893 Y1894 M1895 R1899 | Y1893-T1897 HydrophobicContact CD2-CG2 4.25Å; Y1893-T1897 HydrophobicContact CE2-CG2 3.95Å; Y1893-T1897 WeakPolarHBondContact O-CB 3.19Å; Y1893-T1897 WeakPolarHBondContact O-CG2 3.36Å; Y1893-T1897 PolarHBondContact O-N 3.12Å; Y1893-T1897 PolarHBondContact O-OG1 2.8Å; Y1894-T1897 WeakPolarHBondContact CA-OG1 3.34Å; Y1894-T1897 PolarHBondContact O-N 3.46Å; Y1894-T1897 PolarHBondContact O-OG1 3.28Å; M1895-T1897 VanDerWaalsContact C-N 3.25Å; M1895-T1897 PolarHBondContact O-N 3.24Å; T1897-R1899 PolarHBondContact O-N 2.94Å; T1897-R1899 PolarHBondContact OG1-NE 2.86Å; T1897-R1899 PolarHBondContact OG1-NH2 2.88Å |
| 1898 | G | 83.6 | Confident | 89.1 | Confident | 51 Ų | 51 | 44.8 Ų | 44.8 | 53% | 0.526 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 6.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y1894 M1895 M1896 T1900 | Y1894-G1898 PolarHBondContact O-N 3.39Å; M1895-G1898 PolarHBondContact O-N 3.45Å; M1896-G1898 VanDerWaalsContact C-N 3.3Å; G1898-T1900 VanDerWaalsContact C-N 3.34Å; G1898-T1900 PolarHBondContact O-N 3.32Å |
| 1899 | R | 88.3 | Confident | 89.2 | Confident | 52 Ų | 52 | 50.7 Ų | 50.7 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | trans | -95.9 | 62.9 | -175.8 | -66.5 | 173.4 | -65 | 160.9 | 1.4 | 110.6 | D1870 Y1893 Y1894 T1897 E1901 L1902 A1903 | D1870-R1899 IonicContact OD1-CZ 3.28Å; D1870-R1899 IonicContact OD1-NH1 3.9Å; D1870-R1899 PolarHBondContact OD1-NH1 3.3Å; D1870-R1899 IonicContact OD1-NH2 2.72Å; D1870-R1899 PolarHBondContact OD1-NH2 3.46Å; D1870-R1899 IonicContact OD2-CZ 2.83Å; D1870-R1899 IonicContact OD2-NH1 3Å; D1870-R1899 PolarHBondContact OD2-NH1 3.43Å; Y1893-R1899 PolarHBondContact OH-NH2 3Å; Y1893-R1899 VanDerWaalsContact OH-NH2 3.1Å; Y1894-R1899 CarbonylContact O-C 3.51Å; Y1894-R1899 WeakPolarHBondContact O-CA 3.47Å; Y1894-R1899 PolarHBondContact O-N 3.49Å; T1897-R1899 PolarHBondContact O-N 2.94Å; T1897-R1899 PolarHBondContact OG1-NE 2.86Å; T1897-R1899 PolarHBondContact OG1-NH2 2.88Å; R1899-E1901 VanDerWaalsContact C-N 3.29Å; R1899-E1901 PolarHBondContact O-N 2.98Å; R1899-L1902 HydrophobicContact CB-CB 4.48Å; R1899-L1902 HydrophobicContact CB-CD1 4.27Å; R1899-L1902 PolarHBondContact O-N 2.93Å; R1899-A1903 PolarHBondContact O-N 3.43Å | ||
| 1900 | T | 87.1 | Confident | 89.4 | Confident | 33 Ų | 33 | 49.5 Ų | 49.5 | 20% | 0.202 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.6 | -34.5 | -172.3 | 55.8 | 0 | 0 | 0 | 0 | 113.4 | M1895 G1898 A1903 R1904 | M1895-T1900 HydrophobicContact SD-CG2 3.95Å; G1898-T1900 VanDerWaalsContact C-N 3.34Å; G1898-T1900 PolarHBondContact O-N 3.32Å; T1900-A1903 WeakPolarHBondContact O-CB 3.17Å; T1900-A1903 PolarHBondContact O-N 2.91Å; T1900-R1904 VanDerWaalsContact O-CG 3.24Å; T1900-R1904 WeakPolarHBondContact O-CG 3.45Å; T1900-R1904 PolarHBondContact O-N 2.79Å |
| 1901 | E | 87.2 | Confident | 89.3 | Confident | 146 Ų | 146 | 51.9 Ų | 51.9 | 68% | 0.682 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -66.3 | -42 | 178.4 | -66.4 | -169.5 | 164.1 | 0 | 0 | 112.7 | R1899 A1903 R1904 N1905 | R1899-E1901 VanDerWaalsContact C-N 3.29Å; R1899-E1901 PolarHBondContact O-N 2.98Å; E1901-A1903 VanDerWaalsContact C-N 3.31Å; E1901-A1903 PolarHBondContact O-N 2.85Å; E1901-R1904 PolarHBondContact O-N 2.86Å; E1901-N1905 PolarHBondContact O-N 2.74Å; E1901-N1905 PolarHBondContact O-ND2 3.41Å |
| 1902 | L | 89.5 | Confident | 89.2 | Confident | 75 Ų | 75 | 60.2 Ų | 60.2 | 39% | 0.393 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.9 | -38 | 174.6 | -66.7 | -179.2 | 0 | 0 | 0 | 111.4 | Y1894 R1899 N1905 T1906 | Y1894-L1902 HydrophobicContact CD1-CB 3.94Å; Y1894-L1902 HydrophobicContact CD1-CD1 4.14Å; Y1894-L1902 HydrophobicContact CD2-CB 4.24Å; Y1894-L1902 HydrophobicContact CE1-CB 4.26Å; Y1894-L1902 HydrophobicContact CE1-CD1 4.01Å; Y1894-L1902 HydrophobicContact CG-CB 3.95Å; R1899-L1902 HydrophobicContact CB-CB 4.48Å; R1899-L1902 HydrophobicContact CB-CD1 4.27Å; R1899-L1902 PolarHBondContact O-N 2.93Å; L1902-N1905 PolarHBondContact O-N 3.18Å; L1902-T1906 VanDerWaalsContact O-CB 3.31Å; L1902-T1906 WeakPolarHBondContact O-CB 3.47Å; L1902-T1906 PolarHBondContact O-N 3.41Å; L1902-T1906 PolarHBondContact O-OG1 2.75Å |
| 1903 | A | 90.5 | Very high | 89.1 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 2% | 0.017 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | C1891 M1895 R1899 T1900 E1901 T1906 M1907 | C1891-A1903 PolarHBondContact SG-O 2.83Å; C1891-A1903 VanDerWaalsContact SG-O 3.33Å; M1895-A1903 HydrophobicContact CE-CB 4.33Å; M1895-A1903 HydrophobicContact CG-CB 3.72Å; M1895-A1903 HydrophobicContact SD-CB 3.72Å; R1899-A1903 PolarHBondContact O-N 3.43Å; T1900-A1903 WeakPolarHBondContact O-CB 3.17Å; T1900-A1903 PolarHBondContact O-N 2.91Å; E1901-A1903 VanDerWaalsContact C-N 3.31Å; E1901-A1903 PolarHBondContact O-N 2.85Å; A1903-T1906 PolarHBondContact O-N 3.24Å; A1903-M1907 PolarHBondContact O-N 2.89Å |
| 1904 | R | 91 | Very high | 89.1 | Confident | 54 Ų | 54 | 60.1 Ų | 60.1 | 20% | 0.204 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.9 | -44 | 178.9 | -71.1 | 166.6 | -176.4 | 159.5 | 4.6 | 112 | T1900 E1901 T1906 M1907 E1908 E1930 | T1900-R1904 VanDerWaalsContact O-CG 3.24Å; T1900-R1904 WeakPolarHBondContact O-CG 3.45Å; T1900-R1904 PolarHBondContact O-N 2.79Å; E1901-R1904 PolarHBondContact O-N 2.86Å; R1904-T1906 VanDerWaalsContact C-N 3.29Å; R1904-T1906 PolarHBondContact O-N 3.25Å; R1904-M1907 WeakPolarHBondContact O-CB 3.12Å; R1904-M1907 PolarHBondContact O-N 2.88Å; R1904-E1908 PolarHBondContact O-N 2.93Å; R1904-E1930 IonicContact CZ-OE1 2.63Å; R1904-E1930 IonicContact NE-OE1 3.47Å; R1904-E1930 PolarHBondContact NE-OE1 2.77Å; R1904-E1930 VanDerWaalsContact NE-OE1 3.11Å; R1904-E1930 IonicContact NH2-OE1 2.79Å; R1904-E1930 IonicContact NH2-OE2 3.31Å; R1904-E1930 PolarHBondContact NH2-OE2 3.04Å |
| 1905 | N | 91.4 | Very high | 88.8 | Confident | 88 Ų | 88 | 62.8 Ų | 62.8 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 173.6 | -71.1 | -19 | 0 | 0 | 0 | 111.9 | E1901 L1902 E1908 R1909 | E1901-N1905 PolarHBondContact O-N 2.74Å; E1901-N1905 PolarHBondContact O-ND2 3.41Å; L1902-N1905 PolarHBondContact O-N 3.18Å; N1905-E1908 PolarHBondContact O-N 3.09Å; N1905-R1909 WeakPolarHBondContact O-CG 3.14Å; N1905-R1909 PolarHBondContact O-N 3.48Å |
| 1906 | T | 92 | Very high | 88.5 | Confident | 7 Ų | 7 | 71.1 Ų | 71.1 | 4% | 0.043 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.9 | -39.2 | 176.8 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | L1877 W1887 A1890 C1891 Y1894 L1902 A1903 R1904 R1909 S1910 | L1877-T1906 HydrophobicContact CD1-CG2 4.22Å; W1887-T1906 HydrophobicContact CE3-CG2 3.98Å; W1887-T1906 HydrophobicContact CZ3-CG2 4.2Å; A1890-T1906 HydrophobicContact CB-CG2 4.05Å; C1891-T1906 VanDerWaalsContact SG-CG2 3.57Å; Y1894-T1906 WeakPolarHBondContact CE2-OG1 3.25Å; L1902-T1906 VanDerWaalsContact O-CB 3.31Å; L1902-T1906 WeakPolarHBondContact O-CB 3.47Å; L1902-T1906 PolarHBondContact O-N 3.41Å; L1902-T1906 PolarHBondContact O-OG1 2.75Å; A1903-T1906 PolarHBondContact O-N 3.24Å; R1904-T1906 VanDerWaalsContact C-N 3.29Å; R1904-T1906 PolarHBondContact O-N 3.25Å; T1906-R1909 PolarHBondContact O-N 3.19Å; T1906-S1910 PolarHBondContact O-N 3.26Å |
| 1907 | M | 89.7 | Confident | 88.4 | Confident | 22 Ų | 22 | 70.7 Ų | 70.7 | 11% | 0.108 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 172 | 164 | 176.4 | -172.7 | 0 | 0 | 111.4 | A1903 R1904 R1909 S1910 F1911 F1926 L1943 | A1903-M1907 PolarHBondContact O-N 2.89Å; R1904-M1907 WeakPolarHBondContact O-CB 3.12Å; R1904-M1907 PolarHBondContact O-N 2.88Å; M1907-R1909 VanDerWaalsContact C-N 3.35Å; M1907-R1909 PolarHBondContact O-N 3.22Å; M1907-S1910 WeakPolarHBondContact O-CB 3.36Å; M1907-S1910 PolarHBondContact O-N 3.1Å; M1907-S1910 VanDerWaalsContact O-N 3.12Å; M1907-S1910 PolarHBondContact O-OG 3.44Å; M1907-F1911 HydrophobicContact CE-CE2 3.57Å; M1907-F1911 HydrophobicContact CE-CZ 3.7Å; M1907-F1911 HydrophobicContact CG-CD2 4.36Å; M1907-F1911 HydrophobicContact CG-CE2 3.65Å; M1907-F1911 HydrophobicContact CG-CZ 4.23Å; M1907-F1911 WeakPolarHBondContact O-CD2 3.36Å; M1907-F1911 PolarHBondContact O-N 2.99Å; M1907-F1911 HydrophobicContact SD-CE2 4.47Å; M1907-F1926 HydrophobicContact CB-CD1 4.1Å; M1907-F1926 HydrophobicContact CB-CD2 4.11Å; M1907-F1926 HydrophobicContact CB-CE1 4.05Å; M1907-F1926 HydrophobicContact CB-CE2 3.98Å; M1907-F1926 HydrophobicContact CB-CG 4.17Å; M1907-F1926 HydrophobicContact CB-CZ 3.97Å; M1907-F1926 HydrophobicContact CE-CB 3.58Å; M1907-F1926 HydrophobicContact CE-CD2 3.64Å; M1907-F1926 HydrophobicContact CE-CG 3.87Å; M1907-F1926 HydrophobicContact CG-CB 4.37Å; M1907-F1926 HydrophobicContact CG-CD1 4.19Å; M1907-F1926 HydrophobicContact CG-CD2 3.42Å; M1907-F1926 VanDerWaalsContact CG-CD2 3.42Å; M1907-F1926 HydrophobicContact CG-CE1 4.41Å; M1907-F1926 HydrophobicContact CG-CE2 3.61Å; M1907-F1926 HydrophobicContact CG-CG 3.74Å; M1907-F1926 HydrophobicContact CG-CZ 4.13Å; M1907-F1926 HydrophobicContact SD-CB 3.47Å; M1907-F1926 WeakPolarHBondContact SD-CB 3.13Å; M1907-F1926 HydrophobicContact SD-CD1 4.18Å; M1907-F1926 HydrophobicContact SD-CD2 3.67Å; M1907-F1926 HydrophobicContact SD-CE2 4.44Å; M1907-F1926 HydrophobicContact SD-CG 3.51Å; M1907-F1926 VanDerWaalsContact SD-CG 3.51Å; M1907-L1943 HydrophobicContact CE-CD1 3.77Å; M1907-L1943 HydrophobicContact CE-CD2 3.63Å; M1907-L1943 HydrophobicContact CE-CG 4.36Å; M1907-L1943 HydrophobicContact SD-CD1 4.47Å |
| 1908 | E | 90.5 | Very high | 88.4 | Confident | 119 Ų | 119 | 70.4 Ų | 70.4 | 56% | 0.556 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.3 | -41.1 | 177 | -70.7 | -171.4 | 177.6 | 0 | 0 | 112.9 | R1904 N1905 S1910 F1911 K1912 | R1904-E1908 PolarHBondContact O-N 2.93Å; N1905-E1908 PolarHBondContact O-N 3.09Å; E1908-S1910 VanDerWaalsContact C-N 3.26Å; E1908-S1910 PolarHBondContact O-N 3.36Å; E1908-F1911 PolarHBondContact O-N 3Å; E1908-K1912 PolarHBondContact O-N 2.87Å |
| 1909 | R | 92.5 | Very high | 88.7 | Confident | 129 Ų | 129 | 70.1 Ų | 70.1 | 49% | 0.487 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.8 | -34 | 174.5 | -73.6 | 177.5 | 62.7 | -168.1 | -1.9 | 112.3 | W1887 N1905 T1906 M1907 K1912 S1913 | W1887-R1909 HydrophobicContact CH2-CB 4.19Å; W1887-R1909 HydrophobicContact CZ3-CB 3.85Å; N1905-R1909 WeakPolarHBondContact O-CG 3.14Å; N1905-R1909 PolarHBondContact O-N 3.48Å; T1906-R1909 PolarHBondContact O-N 3.19Å; M1907-R1909 VanDerWaalsContact C-N 3.35Å; M1907-R1909 PolarHBondContact O-N 3.22Å; R1909-K1912 PolarHBondContact O-N 2.95Å; R1909-S1913 PolarHBondContact O-N 3.35Å; R1909-S1913 VanDerWaalsContact O-N 3.12Å; R1909-S1913 PolarHBondContact O-OG 3.42Å |
| 1910 | S | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 177.5 | 83.5 | 0 | 0 | 0 | 0 | 111.3 | W1887 T1906 M1907 E1908 K1912 S1913 M1914 F1926 | W1887-S1910 VanDerWaalsContact CD2-CB 3.49Å; W1887-S1910 VanDerWaalsContact CE3-CB 3.49Å; T1906-S1910 PolarHBondContact O-N 3.26Å; M1907-S1910 WeakPolarHBondContact O-CB 3.36Å; M1907-S1910 PolarHBondContact O-N 3.1Å; M1907-S1910 VanDerWaalsContact O-N 3.12Å; M1907-S1910 PolarHBondContact O-OG 3.44Å; E1908-S1910 VanDerWaalsContact C-N 3.26Å; E1908-S1910 PolarHBondContact O-N 3.36Å; S1910-K1912 VanDerWaalsContact C-N 3.3Å; S1910-K1912 PolarHBondContact O-N 3.47Å; S1910-S1913 PolarHBondContact O-N 2.95Å; S1910-M1914 VanDerWaalsContact O-CB 3.27Å; S1910-M1914 WeakPolarHBondContact O-CB 3.29Å; S1910-M1914 VanDerWaalsContact O-CG 3.28Å; S1910-M1914 WeakPolarHBondContact O-CG 3.19Å; S1910-M1914 PolarHBondContact O-N 2.89Å; S1910-F1926 WeakPolarHBondContact OG-CE2 3.44Å |
| 1911 | F | 89.8 | Confident | 88.6 | Confident | 51 Ų | 51 | 70.7 Ų | 70.7 | 22% | 0.224 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.4 | -33.2 | 178.1 | -65.1 | -52.7 | 0 | 0 | 0 | 113 | M1907 E1908 S1913 H1919 L1922 T1923 F1926 | M1907-F1911 HydrophobicContact CE-CE2 3.57Å; M1907-F1911 HydrophobicContact CE-CZ 3.7Å; M1907-F1911 HydrophobicContact CG-CD2 4.36Å; M1907-F1911 HydrophobicContact CG-CE2 3.65Å; M1907-F1911 HydrophobicContact CG-CZ 4.23Å; M1907-F1911 WeakPolarHBondContact O-CD2 3.36Å; M1907-F1911 PolarHBondContact O-N 2.99Å; M1907-F1911 HydrophobicContact SD-CE2 4.47Å; E1908-F1911 PolarHBondContact O-N 3Å; F1911-S1913 VanDerWaalsContact C-N 3.31Å; F1911-H1919 HydrophobicContact CD1-CB 4.23Å; F1911-H1919 AromaticContact CD1-CD2 3.86Å; F1911-H1919 AromaticContact CD1-CG 3.8Å; F1911-H1919 HydrophobicContact CE1-CB 4.31Å; F1911-H1919 PolarHBondContact O-CE1 3.38Å; F1911-H1919 VanDerWaalsContact O-CE1 3.24Å; F1911-H1919 PolarHBondContact O-NE2 3.2Å; F1911-L1922 HydrophobicContact CE1-CB 3.91Å; F1911-T1923 WeakPolarHBondContact CE1-OG1 3.47Å; F1911-T1923 VanDerWaalsContact CZ-OG1 3.26Å; F1911-T1923 WeakPolarHBondContact CZ-OG1 3.2Å; F1911-F1926 HydrophobicContact CE1-CE2 4.48Å; F1911-F1926 HydrophobicContact CZ-CD2 4.01Å; F1911-F1926 HydrophobicContact CZ-CE2 4.17Å |
| 1912 | K | 87.9 | Confident | 88.6 | Confident | 175 Ų | 175 | 63.8 Ų | 63.8 | 76% | 0.761 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -69.3 | -30.4 | 173.8 | -66.4 | 176.1 | -177.2 | 171.7 | 0 | 112.3 | E1908 R1909 S1910 | E1908-K1912 PolarHBondContact O-N 2.87Å; R1909-K1912 PolarHBondContact O-N 2.95Å; S1910-K1912 VanDerWaalsContact C-N 3.3Å; S1910-K1912 PolarHBondContact O-N 3.47Å |
| 1913 | S | 87.6 | Confident | 88.6 | Confident | 62 Ų | 62 | 61 Ų | 61 | 43% | 0.434 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -92.7 | -27.1 | -175.2 | -55.3 | 0 | 0 | 0 | 0 | 113.5 | W1887 R1909 S1910 F1911 | W1887-S1913 VanDerWaalsContact CZ2-CB 3.46Å; W1887-S1913 WeakPolarHBondContact CZ2-OG 3.35Å; R1909-S1913 PolarHBondContact O-N 3.35Å; R1909-S1913 VanDerWaalsContact O-N 3.12Å; R1909-S1913 PolarHBondContact O-OG 3.42Å; S1910-S1913 PolarHBondContact O-N 2.95Å; F1911-S1913 VanDerWaalsContact C-N 3.31Å |
| 1914 | M | 90.2 | Very high | 88.7 | Confident | 16 Ų | 16 | 61.3 Ų | 61.3 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -101.2 | 145.9 | -173.9 | -63.6 | -61.2 | -65.8 | 0 | 0 | 112 | S1910 V1918 H1919 L1922 | S1910-M1914 VanDerWaalsContact O-CB 3.27Å; S1910-M1914 WeakPolarHBondContact O-CB 3.29Å; S1910-M1914 VanDerWaalsContact O-CG 3.28Å; S1910-M1914 WeakPolarHBondContact O-CG 3.19Å; S1910-M1914 PolarHBondContact O-N 2.89Å; M1914-V1918 HydrophobicContact CB-CG2 4.4Å; M1914-V1918 HydrophobicContact CE-CG2 4.01Å; M1914-H1919 PolarHBondContact O-NE2 3.21Å; M1914-L1922 HydrophobicContact CB-CD1 3.78Å; M1914-L1922 HydrophobicContact CG-CD1 3.88Å |
| 1915 | P | 84.8 | Confident | 88.8 | Confident | 78 Ų | 78 | 63.9 Ų | 63.9 | 51% | 0.506 | 32% | 0.318 | S | S | . | . | trans | -66.5 | 146.3 | 178.4 | 22.9 | -28.5 | 0 | 0 | 0 | 112.2 | S1917 V1918 H1919 | P1915-S1917 PolarHBondContact O-N 3.06Å; P1915-V1918 HydrophobicContact CG-CG2 3.79Å; P1915-V1918 WeakPolarHBondContact O-CG2 3.32Å; P1915-V1918 PolarHBondContact O-N 2.64Å; P1915-H1919 PolarHBondContact O-CD2 2.86Å; P1915-H1919 VanDerWaalsContact O-CD2 3.23Å | ||
| 1916 | K | 81.6 | Confident | 88.7 | Confident | 184 Ų | 184 | 60 Ų | 60 | 80% | 0.8 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -51.3 | -27.6 | -178.4 | -68.1 | -170.4 | 177.5 | -171.6 | 0 | 114.4 | V1918 H1919 | K1916-V1918 VanDerWaalsContact C-N 3.25Å; K1916-V1918 PolarHBondContact O-N 2.91Å; K1916-H1919 WeakPolarHBondContact O-CB 3.35Å; K1916-H1919 PolarHBondContact O-N 2.87Å |
| 1917 | S | 82.9 | Confident | 88.7 | Confident | 99 Ų | 99 | 59.7 Ų | 59.7 | 69% | 0.692 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -61.5 | -29.1 | 179.5 | 58 | 0 | 0 | 0 | 0 | 114.2 | P1915 | P1915-S1917 PolarHBondContact O-N 3.06Š|
| 1918 | V | 87.1 | Confident | 88.8 | Confident | 35 Ų | 35 | 60 Ų | 60 | 21% | 0.212 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -98.8 | -2.5 | 178.7 | -99.1 | 0 | 0 | 0 | 0 | 112.7 | M1914 P1915 K1916 I1920 D1921 L1922 | M1914-V1918 HydrophobicContact CB-CG2 4.4Å; M1914-V1918 HydrophobicContact CE-CG2 4.01Å; P1915-V1918 HydrophobicContact CG-CG2 3.79Å; P1915-V1918 WeakPolarHBondContact O-CG2 3.32Å; P1915-V1918 PolarHBondContact O-N 2.64Å; K1916-V1918 VanDerWaalsContact C-N 3.25Å; K1916-V1918 PolarHBondContact O-N 2.91Å; V1918-I1920 VanDerWaalsContact C-N 3.3Å; V1918-I1920 PolarHBondContact O-N 3.11Å; V1918-D1921 PolarHBondContact O-N 2.8Å; V1918-L1922 HydrophobicContact CB-CD1 4.38Å; V1918-L1922 WeakPolarHBondContact O-CB 3.45Å; V1918-L1922 PolarHBondContact O-N 2.72Å |
| 1919 | H | 89.3 | Confident | 88.7 | Confident | 45 Ų | 45 | 54.6 Ų | 54.6 | 21% | 0.208 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.4 | -39.2 | -177.3 | -75.4 | -164.4 | 0 | 0 | 0 | 112 | F1911 M1914 P1915 K1916 D1921 L1922 T1923 | F1911-H1919 HydrophobicContact CD1-CB 4.23Å; F1911-H1919 AromaticContact CD1-CD2 3.86Å; F1911-H1919 AromaticContact CD1-CG 3.8Å; F1911-H1919 HydrophobicContact CE1-CB 4.31Å; F1911-H1919 PolarHBondContact O-CE1 3.38Å; F1911-H1919 VanDerWaalsContact O-CE1 3.24Å; F1911-H1919 PolarHBondContact O-NE2 3.2Å; M1914-H1919 PolarHBondContact O-NE2 3.21Å; P1915-H1919 PolarHBondContact O-CD2 2.86Å; P1915-H1919 VanDerWaalsContact O-CD2 3.23Å; K1916-H1919 WeakPolarHBondContact O-CB 3.35Å; K1916-H1919 PolarHBondContact O-N 2.87Å; H1919-D1921 PolarHBondContact O-N 2.7Å; H1919-L1922 PolarHBondContact O-N 3.3Å; H1919-T1923 VanDerWaalsContact O-CB 3.32Å; H1919-T1923 WeakPolarHBondContact O-CB 3.19Å; H1919-T1923 PolarHBondContact O-N 2.79Å; H1919-T1923 PolarHBondContact O-OG1 3.22Å |
| 1920 | I | 86.5 | Confident | 88.7 | Confident | 28 Ų | 28 | 48.6 Ų | 48.6 | 14% | 0.144 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 178.7 | -63.4 | 162.9 | 0 | 0 | 0 | 111.2 | V1918 T1923 S1924 I1947 K1951 | V1918-I1920 VanDerWaalsContact C-N 3.3Å; V1918-I1920 PolarHBondContact O-N 3.11Å; I1920-T1923 PolarHBondContact O-N 3.09Å; I1920-S1924 WeakPolarHBondContact O-CB 3.48Å; I1920-S1924 PolarHBondContact O-N 2.96Å; I1920-I1947 HydrophobicContact CG2-CG1 4.41Å; I1920-I1947 HydrophobicContact CG2-CG2 3.67Å; I1920-K1951 HydrophobicContact CD1-CD 4.36Å; I1920-K1951 HydrophobicContact CD1-CG 3.83Å |
| 1921 | D | 86 | Confident | 88.6 | Confident | 70 Ų | 70 | 49.1 Ų | 49.1 | 37% | 0.374 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -73.2 | -37 | -177.7 | -57.8 | -36.9 | 0 | 0 | 0 | 111.2 | V1918 H1919 S1924 R1925 R1954 | V1918-D1921 PolarHBondContact O-N 2.8Å; H1919-D1921 PolarHBondContact O-N 2.7Å; D1921-S1924 PolarHBondContact O-N 2.97Å; D1921-R1925 WeakPolarHBondContact O-CB 3.38Å; D1921-R1925 VanDerWaalsContact O-CG 3.26Å; D1921-R1925 WeakPolarHBondContact O-CG 3.23Å; D1921-R1925 PolarHBondContact O-N 2.83Å; D1921-R1954 IonicContact OD1-CZ 2.8Å; D1921-R1954 IonicContact OD1-NH1 3.13Å; D1921-R1954 PolarHBondContact OD1-NH1 2.7Å; D1921-R1954 IonicContact OD1-NH2 2.89Å; D1921-R1954 PolarHBondContact OD1-NH2 2.89Å |
| 1922 | L | 88 | Confident | 88.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.8 | -51.7 | 168.8 | -87.6 | 156.2 | 0 | 0 | 0 | 111.2 | W1887 I1888 F1911 M1914 V1918 H1919 S1924 R1925 F1926 | W1887-L1922 HydrophobicContact CB-CD2 4.41Å; I1888-L1922 HydrophobicContact CG1-CD2 4.29Å; F1911-L1922 HydrophobicContact CE1-CB 3.91Å; M1914-L1922 HydrophobicContact CB-CD1 3.78Å; M1914-L1922 HydrophobicContact CG-CD1 3.88Å; V1918-L1922 HydrophobicContact CB-CD1 4.38Å; V1918-L1922 WeakPolarHBondContact O-CB 3.45Å; V1918-L1922 PolarHBondContact O-N 2.72Å; H1919-L1922 PolarHBondContact O-N 3.3Å; L1922-S1924 VanDerWaalsContact C-N 3.3Å; L1922-S1924 PolarHBondContact O-N 3.32Å; L1922-R1925 PolarHBondContact O-N 3.37Å; L1922-R1925 VanDerWaalsContact O-N 3.12Å; L1922-F1926 HydrophobicContact CB-CD2 4.33Å; L1922-F1926 HydrophobicContact CB-CE2 3.95Å; L1922-F1926 HydrophobicContact CD2-CE2 3.65Å; L1922-F1926 HydrophobicContact CD2-CZ 3.75Å; L1922-F1926 HydrophobicContact CG-CE2 4.41Å; L1922-F1926 WeakPolarHBondContact O-CD2 3.25Å; L1922-F1926 WeakPolarHBondContact O-CG 3.29Å; L1922-F1926 PolarHBondContact O-N 2.72Å |
| 1923 | T | 90.1 | Very high | 88 | Confident | 17 Ų | 17 | 44.8 Ų | 44.8 | 10% | 0.104 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.6 | -42.2 | 178.4 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | F1911 H1919 I1920 R1925 F1926 A1927 L1943 I1947 | F1911-T1923 WeakPolarHBondContact CE1-OG1 3.47Å; F1911-T1923 VanDerWaalsContact CZ-OG1 3.26Å; F1911-T1923 WeakPolarHBondContact CZ-OG1 3.2Å; H1919-T1923 VanDerWaalsContact O-CB 3.32Å; H1919-T1923 WeakPolarHBondContact O-CB 3.19Å; H1919-T1923 PolarHBondContact O-N 2.79Å; H1919-T1923 PolarHBondContact O-OG1 3.22Å; I1920-T1923 PolarHBondContact O-N 3.09Å; T1923-R1925 PolarHBondContact O-N 2.87Å; T1923-F1926 PolarHBondContact O-N 3.31Å; T1923-A1927 VanDerWaalsContact O-CB 3.32Å; T1923-A1927 WeakPolarHBondContact O-CB 3.47Å; T1923-A1927 PolarHBondContact O-N 3.34Å; T1923-L1943 HydrophobicContact CG2-CB 4.02Å; T1923-L1943 HydrophobicContact CG2-CD2 4.06Å; T1923-I1947 HydrophobicContact CG2-CD1 3.64Å; T1923-I1947 HydrophobicContact CG2-CG1 3.71Å |
| 1924 | S | 91.7 | Very high | 87.2 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 6% | 0.056 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.3 | -39.9 | 176.3 | 175.8 | 0 | 0 | 0 | 0 | 112.3 | I1920 D1921 L1922 Q1928 I1957 | I1920-S1924 WeakPolarHBondContact O-CB 3.48Å; I1920-S1924 PolarHBondContact O-N 2.96Å; D1921-S1924 PolarHBondContact O-N 2.97Å; L1922-S1924 VanDerWaalsContact C-N 3.3Å; L1922-S1924 PolarHBondContact O-N 3.32Å; S1924-Q1928 VanDerWaalsContact O-CG 3.32Å; S1924-Q1928 WeakPolarHBondContact O-CG 3.4Å; S1924-Q1928 PolarHBondContact O-N 3Å; S1924-Q1928 PolarHBondContact O-NE2 3.27Å; S1924-Q1928 PolarHBondContact OG-NE2 3.18Å; S1924-I1957 WeakPolarHBondContact OG-CD1 3.5Å |
| 1925 | R | 92.2 | Very high | 86.6 | Confident | 109 Ų | 109 | 46.5 Ų | 46.5 | 41% | 0.411 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.6 | -39.3 | 176 | -71.7 | -72.5 | -165.6 | 178.1 | 7.6 | 112.1 | I1888 D1921 L1922 T1923 Q1928 M1929 | I1888-R1925 HydrophobicContact CD1-CB 4Å; I1888-R1925 HydrophobicContact CD1-CG 3.77Å; I1888-R1925 HydrophobicContact CG1-CB 4.26Å; D1921-R1925 WeakPolarHBondContact O-CB 3.38Å; D1921-R1925 VanDerWaalsContact O-CG 3.26Å; D1921-R1925 WeakPolarHBondContact O-CG 3.23Å; D1921-R1925 PolarHBondContact O-N 2.83Å; L1922-R1925 PolarHBondContact O-N 3.37Å; L1922-R1925 VanDerWaalsContact O-N 3.12Å; T1923-R1925 PolarHBondContact O-N 2.87Å; R1925-Q1928 PolarHBondContact O-N 3.27Å; R1925-M1929 HydrophobicContact CB-CE 4.44Å; R1925-M1929 WeakPolarHBondContact O-CE 3.19Å; R1925-M1929 WeakPolarHBondContact O-CG 3.35Å; R1925-M1929 PolarHBondContact O-N 3.27Å; R1925-M1929 VanDerWaalsContact O-N 3.08Å |
| 1926 | F | 90.2 | Very high | 86.6 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.3 | -41.4 | 173.8 | -64.8 | -51.2 | 0 | 0 | 0 | 112.4 | C1891 M1907 S1910 F1911 L1922 T1923 Q1928 M1929 E1930 L1943 | C1891-F1926 HydrophobicContact CB-CD1 4.1Å; C1891-F1926 HydrophobicContact CB-CE1 3.58Å; C1891-F1926 WeakPolarHBondContact SG-CE1 3.47Å; M1907-F1926 HydrophobicContact CB-CD1 4.1Å; M1907-F1926 HydrophobicContact CB-CD2 4.11Å; M1907-F1926 HydrophobicContact CB-CE1 4.05Å; M1907-F1926 HydrophobicContact CB-CE2 3.98Å; M1907-F1926 HydrophobicContact CB-CG 4.17Å; M1907-F1926 HydrophobicContact CB-CZ 3.97Å; M1907-F1926 HydrophobicContact CE-CB 3.58Å; M1907-F1926 HydrophobicContact CE-CD2 3.64Å; M1907-F1926 HydrophobicContact CE-CG 3.87Å; M1907-F1926 HydrophobicContact CG-CB 4.37Å; M1907-F1926 HydrophobicContact CG-CD1 4.19Å; M1907-F1926 HydrophobicContact CG-CD2 3.42Å; M1907-F1926 VanDerWaalsContact CG-CD2 3.42Å; M1907-F1926 HydrophobicContact CG-CE1 4.41Å; M1907-F1926 HydrophobicContact CG-CE2 3.61Å; M1907-F1926 HydrophobicContact CG-CG 3.74Å; M1907-F1926 HydrophobicContact CG-CZ 4.13Å; M1907-F1926 HydrophobicContact SD-CB 3.47Å; M1907-F1926 WeakPolarHBondContact SD-CB 3.13Å; M1907-F1926 HydrophobicContact SD-CD1 4.18Å; M1907-F1926 HydrophobicContact SD-CD2 3.67Å; M1907-F1926 HydrophobicContact SD-CE2 4.44Å; M1907-F1926 HydrophobicContact SD-CG 3.51Å; M1907-F1926 VanDerWaalsContact SD-CG 3.51Å; S1910-F1926 WeakPolarHBondContact OG-CE2 3.44Å; F1911-F1926 HydrophobicContact CE1-CE2 4.48Å; F1911-F1926 HydrophobicContact CZ-CD2 4.01Å; F1911-F1926 HydrophobicContact CZ-CE2 4.17Å; L1922-F1926 HydrophobicContact CB-CD2 4.33Å; L1922-F1926 HydrophobicContact CB-CE2 3.95Å; L1922-F1926 HydrophobicContact CD2-CE2 3.65Å; L1922-F1926 HydrophobicContact CD2-CZ 3.75Å; L1922-F1926 HydrophobicContact CG-CE2 4.41Å; L1922-F1926 WeakPolarHBondContact O-CD2 3.25Å; L1922-F1926 WeakPolarHBondContact O-CG 3.29Å; L1922-F1926 PolarHBondContact O-N 2.72Å; T1923-F1926 PolarHBondContact O-N 3.31Å; F1926-Q1928 VanDerWaalsContact C-N 3.33Å; F1926-Q1928 PolarHBondContact O-N 2.83Å; F1926-M1929 HydrophobicContact CD1-CE 3.29Å; F1926-M1929 HydrophobicContact CD1-SD 4.32Å; F1926-M1929 HydrophobicContact CE1-CE 3.66Å; F1926-M1929 HydrophobicContact CG-CE 4.25Å; F1926-M1929 WeakPolarHBondContact O-CB 3.36Å; F1926-M1929 PolarHBondContact O-N 3.29Å; F1926-M1929 VanDerWaalsContact O-N 3.09Å; F1926-E1930 PolarHBondContact O-N 3.02Å; F1926-L1943 HydrophobicContact CB-CD1 4.42Å |
| 1927 | A | 91.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58 | -47.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | T1923 M1929 E1930 F1931 L1943 F1944 | T1923-A1927 VanDerWaalsContact O-CB 3.32Å; T1923-A1927 WeakPolarHBondContact O-CB 3.47Å; T1923-A1927 PolarHBondContact O-N 3.34Å; A1927-M1929 VanDerWaalsContact C-N 3.28Å; A1927-M1929 PolarHBondContact O-N 2.77Å; A1927-E1930 PolarHBondContact O-N 3.17Å; A1927-F1931 VanDerWaalsContact O-CD2 3.28Å; A1927-F1931 WeakPolarHBondContact O-CD2 3.2Å; A1927-F1931 PolarHBondContact O-N 3.41Å; A1927-L1943 HydrophobicContact CB-CB 3.74Å; A1927-L1943 HydrophobicContact CB-CD1 4.2Å; A1927-F1944 HydrophobicContact CB-CD1 4.34Å; A1927-F1944 HydrophobicContact CB-CD2 3.64Å; A1927-F1944 HydrophobicContact CB-CE1 4.17Å; A1927-F1944 HydrophobicContact CB-CE2 3.41Å; A1927-F1944 VanDerWaalsContact CB-CE2 3.41Å; A1927-F1944 HydrophobicContact CB-CG 4.09Å; A1927-F1944 HydrophobicContact CB-CZ 3.72Å |
| 1928 | Q | 93 | Very high | 87.1 | Confident | 29 Ų | 29 | 37.7 Ų | 37.7 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.9 | -37 | 174.1 | -77.7 | 172.9 | 65.3 | 0 | 0 | 113.7 | S1924 R1925 F1926 F1931 K1932 F1944 V1960 L1964 | S1924-Q1928 VanDerWaalsContact O-CG 3.32Å; S1924-Q1928 WeakPolarHBondContact O-CG 3.4Å; S1924-Q1928 PolarHBondContact O-N 3Å; S1924-Q1928 PolarHBondContact O-NE2 3.27Å; S1924-Q1928 PolarHBondContact OG-NE2 3.18Å; R1925-Q1928 PolarHBondContact O-N 3.27Å; F1926-Q1928 VanDerWaalsContact C-N 3.33Å; F1926-Q1928 PolarHBondContact O-N 2.83Å; Q1928-F1931 PolarHBondContact O-N 3.06Å; Q1928-K1932 WeakPolarHBondContact O-CB 3.35Å; Q1928-K1932 VanDerWaalsContact O-CG 3.29Å; Q1928-K1932 WeakPolarHBondContact O-CG 3.45Å; Q1928-K1932 PolarHBondContact O-N 2.76Å; Q1928-F1944 HydrophobicContact CG-CZ 4.13Å; Q1928-V1960 HydrophobicContact CG-CG1 3.97Å; Q1928-L1964 HydrophobicContact CG-CD1 3.79Å |
| 1929 | M | 88.5 | Confident | 87.1 | Confident | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.5 | -40.2 | 176.7 | -76 | -178.6 | -109.3 | 0 | 0 | 112.1 | I1888 C1891 Q1892 M1895 R1925 F1926 A1927 F1931 K1932 C1933 | I1888-M1929 HydrophobicContact CG2-CE 4.01Å; C1891-M1929 HydrophobicContact CB-CE 4.19Å; C1891-M1929 HydrophobicContact CB-SD 3.97Å; Q1892-M1929 HydrophobicContact CB-SD 4.22Å; Q1892-M1929 HydrophobicContact CG-CE 4.18Å; Q1892-M1929 HydrophobicContact CG-CG 3.92Å; Q1892-M1929 HydrophobicContact CG-SD 3.34Å; Q1892-M1929 WeakPolarHBondContact CG-SD 3.45Å; M1895-M1929 HydrophobicContact CG-CB 4.44Å; R1925-M1929 HydrophobicContact CB-CE 4.44Å; R1925-M1929 WeakPolarHBondContact O-CE 3.19Å; R1925-M1929 WeakPolarHBondContact O-CG 3.35Å; R1925-M1929 PolarHBondContact O-N 3.27Å; R1925-M1929 VanDerWaalsContact O-N 3.08Å; F1926-M1929 HydrophobicContact CD1-CE 3.29Å; F1926-M1929 HydrophobicContact CD1-SD 4.32Å; F1926-M1929 HydrophobicContact CE1-CE 3.66Å; F1926-M1929 HydrophobicContact CG-CE 4.25Å; F1926-M1929 WeakPolarHBondContact O-CB 3.36Å; F1926-M1929 PolarHBondContact O-N 3.29Å; F1926-M1929 VanDerWaalsContact O-N 3.09Å; A1927-M1929 VanDerWaalsContact C-N 3.28Å; A1927-M1929 PolarHBondContact O-N 2.77Å; M1929-F1931 PolarHBondContact O-N 2.99Å; M1929-K1932 PolarHBondContact O-N 2.85Å; M1929-C1933 WeakPolarHBondContact O-CB 3.44Å; M1929-C1933 PolarHBondContact O-N 2.58Å |
| 1930 | E | 91.5 | Very high | 87.2 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.019 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.3 | -35 | 176.1 | -70.7 | -78.7 | -173.9 | 0 | 0 | 111.3 | M1895 R1904 F1926 A1927 G1935 D1936 R1939 | M1895-E1930 VanDerWaalsContact CE-CD 3.45Å; M1895-E1930 HydrophobicContact CE-CG 3.91Å; M1895-E1930 WeakPolarHBondContact CE-OE1 3.3Å; R1904-E1930 IonicContact CZ-OE1 2.63Å; R1904-E1930 IonicContact NE-OE1 3.47Å; R1904-E1930 PolarHBondContact NE-OE1 2.77Å; R1904-E1930 VanDerWaalsContact NE-OE1 3.11Å; R1904-E1930 IonicContact NH2-OE1 2.79Å; R1904-E1930 IonicContact NH2-OE2 3.31Å; R1904-E1930 PolarHBondContact NH2-OE2 3.04Å; F1926-E1930 PolarHBondContact O-N 3.02Å; A1927-E1930 PolarHBondContact O-N 3.17Å; E1930-G1935 CarbonylContact O-C 3.54Å; E1930-G1935 WeakPolarHBondContact O-CA 3.38Å; E1930-G1935 PolarHBondContact O-N 3.34Å; E1930-G1935 VanDerWaalsContact OE2-CA 3.29Å; E1930-G1935 WeakPolarHBondContact OE2-CA 3.35Å; E1930-D1936 PolarHBondContact OE2-N 3.13Å; E1930-R1939 HydrophobicContact CG-CB 4.35Å |
| 1931 | F | 90.6 | Very high | 87.4 | Confident | 10 Ų | 10 | 38.7 Ų | 38.7 | 4% | 0.044 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -73.9 | -40.9 | 172.1 | -78.5 | -83.8 | 0 | 0 | 0 | 114.4 | A1927 Q1928 M1929 P1937 C1941 F1944 Y1961 L1964 Y1968 R1969 | A1927-F1931 VanDerWaalsContact O-CD2 3.28Å; A1927-F1931 WeakPolarHBondContact O-CD2 3.2Å; A1927-F1931 PolarHBondContact O-N 3.41Å; Q1928-F1931 PolarHBondContact O-N 3.06Å; M1929-F1931 PolarHBondContact O-N 2.99Å; F1931-P1937 HydrophobicContact CD1-CB 3.88Å; F1931-P1937 HydrophobicContact CE1-CB 3.92Å; F1931-C1941 WeakPolarHBondContact CZ-SG 2.93Å; F1931-F1944 HydrophobicContact CD2-CE2 4.16Å; F1931-F1944 AromaticContact CE2-CD2 3.87Å; F1931-F1944 HydrophobicContact CE2-CD2 3.87Å; F1931-F1944 AromaticContact CE2-CE2 3.82Å; F1931-F1944 HydrophobicContact CE2-CE2 3.82Å; F1931-Y1961 HydrophobicContact CZ-CE2 4.42Å; F1931-L1964 HydrophobicContact CB-CD2 4.04Å; F1931-L1964 HydrophobicContact CD1-CB 4.02Å; F1931-L1964 HydrophobicContact CD2-CB 4.07Å; F1931-L1964 HydrophobicContact CD2-CD1 3.81Å; F1931-L1964 HydrophobicContact CD2-CG 4.4Å; F1931-L1964 HydrophobicContact CE1-CB 4.08Å; F1931-L1964 HydrophobicContact CE2-CB 4.18Å; F1931-L1964 HydrophobicContact CE2-CD1 4.2Å; F1931-L1964 HydrophobicContact CG-CB 3.99Å; F1931-L1964 HydrophobicContact CG-CD1 4.28Å; F1931-L1964 HydrophobicContact CG-CD2 4.35Å; F1931-L1964 HydrophobicContact CG-CG 4.43Å; F1931-L1964 HydrophobicContact CZ-CB 4.15Å; F1931-Y1968 HydrophobicContact CB-CD2 4.1Å; F1931-Y1968 HydrophobicContact CB-CG 4.41Å; F1931-Y1968 HydrophobicContact CD1-CD2 4.34Å; F1931-Y1968 HydrophobicContact CD1-CG 4.38Å; F1931-Y1968 WeakPolarHBondContact O-CD1 3.41Å; F1931-R1969 HydrophobicContact CE1-CG 4.01Å |
| 1932 | K | 87.1 | Confident | 87.7 | Confident | 111 Ų | 111 | 39.8 Ų | 39.8 | 48% | 0.483 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -94.9 | -30.9 | -165.7 | -70.4 | 179.3 | 177.8 | 174.8 | 0 | 114.8 | Q1928 M1929 L1964 Y1968 | Q1928-K1932 WeakPolarHBondContact O-CB 3.35Å; Q1928-K1932 VanDerWaalsContact O-CG 3.29Å; Q1928-K1932 WeakPolarHBondContact O-CG 3.45Å; Q1928-K1932 PolarHBondContact O-N 2.76Å; M1929-K1932 PolarHBondContact O-N 2.85Å; K1932-L1964 HydrophobicContact CG-CD2 4.45Å; K1932-Y1968 HydrophobicContact CG-CE2 4.01Å |
| 1933 | C | 77 | Confident | 87.9 | Confident | 25 Ų | 25 | 41.3 Ų | 41.3 | 17% | 0.169 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 54.8 | -165.9 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | M1895 M1896 M1929 G1935 | M1895-C1933 HydrophobicContact CB-CB 3.74Å; M1896-C1933 HydrophobicContact CG-CB 4.35Å; M1929-C1933 WeakPolarHBondContact O-CB 3.44Å; M1929-C1933 PolarHBondContact O-N 2.58Å; C1933-G1935 PolarHBondContact O-N 2.91Å; C1933-G1935 VanDerWaalsContact O-N 3.09Å |
| 1934 | S | 71.1 | Confident | 88.2 | Confident | 94 Ų | 94 | 40.5 Ų | 40.5 | 66% | 0.657 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 28.7 | 177.1 | 39.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1935 | G | 77.6 | Confident | 88.2 | Confident | 20 Ų | 20 | 42.1 Ų | 42.1 | 21% | 0.206 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -86.8 | -165.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1930 C1933 P1937 | E1930-G1935 CarbonylContact O-C 3.54Å; E1930-G1935 WeakPolarHBondContact O-CA 3.38Å; E1930-G1935 PolarHBondContact O-N 3.34Å; E1930-G1935 VanDerWaalsContact OE2-CA 3.29Å; E1930-G1935 WeakPolarHBondContact OE2-CA 3.35Å; C1933-G1935 PolarHBondContact O-N 2.91Å; C1933-G1935 VanDerWaalsContact O-N 3.09Å; G1935-P1937 WeakPolarHBondContact O-CD 3.45Å |
| 1936 | D | 84.3 | Confident | 88.2 | Confident | 59 Ų | 59 | 43 Ų | 43 | 32% | 0.316 | 23% | 0.226 | S | C | . | . | trans | -99.1 | 109.1 | 177.7 | 176.9 | 2 | 0 | 0 | 0 | 109.8 | E1930 D1938 R1939 G1940 | E1930-D1936 PolarHBondContact OE2-N 3.13Å; D1936-D1938 PolarHBondContact O-N 2.77Å; D1936-D1938 VanDerWaalsContact O-N 3.16Å; D1936-D1938 WeakPolarHBondContact OD1-CB 3.27Å; D1936-D1938 PolarHBondContact OD1-N 3.35Å; D1936-R1939 HydrophobicContact CB-CB 4.25Å; D1936-R1939 WeakPolarHBondContact O-CB 3.37Å; D1936-R1939 PolarHBondContact O-N 3.01Å; D1936-G1940 PolarHBondContact O-N 2.76Å; D1936-G1940 VanDerWaalsContact O-N 3.12Å | ||
| 1937 | P | 86.9 | Confident | 88.2 | Confident | 36 Ų | 36 | 43 Ų | 43 | 23% | 0.234 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.6 | -32.7 | 179.1 | -25.8 | 35.2 | 0 | 0 | 0 | 113.5 | F1931 G1935 R1939 G1940 C1941 R1969 | F1931-P1937 HydrophobicContact CD1-CB 3.88Å; F1931-P1937 HydrophobicContact CE1-CB 3.92Å; G1935-P1937 WeakPolarHBondContact O-CD 3.45Å; P1937-R1939 VanDerWaalsContact C-N 3.34Å; P1937-R1939 PolarHBondContact O-N 3.4Å; P1937-G1940 CarbonylContact O-C 3.56Å; P1937-G1940 WeakPolarHBondContact O-CA 3.27Å; P1937-G1940 PolarHBondContact O-N 2.83Å; P1937-G1940 VanDerWaalsContact O-N 3.09Å; P1937-C1941 PolarHBondContact O-N 2.99Å; P1937-C1941 PolarHBondContact O-SG 3.21Å; P1937-C1941 VanDerWaalsContact O-SG 3.34Å; P1937-R1969 HydrophobicContact CB-CG 3.87Å |
| 1938 | D | 88.1 | Confident | 88.1 | Confident | 81 Ų | 81 | 43.2 Ų | 43.2 | 43% | 0.433 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67 | -35.6 | 178.9 | -74.4 | -53.1 | 0 | 0 | 0 | 111.9 | D1936 C1941 T1942 R1969 | D1936-D1938 PolarHBondContact O-N 2.77Å; D1936-D1938 VanDerWaalsContact O-N 3.16Å; D1936-D1938 WeakPolarHBondContact OD1-CB 3.27Å; D1936-D1938 PolarHBondContact OD1-N 3.35Å; D1938-C1941 WeakPolarHBondContact O-CB 3.41Å; D1938-C1941 PolarHBondContact O-N 2.84Å; D1938-T1942 PolarHBondContact O-N 2.93Å; D1938-T1942 PolarHBondContact O-OG1 3.29Å; D1938-R1969 IonicContact OD1-CZ 2.74Å; D1938-R1969 IonicContact OD1-NE 3.21Å; D1938-R1969 IonicContact OD1-NH1 3.38Å; D1938-R1969 PolarHBondContact OD1-NH1 2.81Å; D1938-R1969 VanDerWaalsContact OD1-NH1 3.1Å; D1938-R1969 IonicContact OD1-NH2 3.83Å; D1938-R1969 PolarHBondContact OD1-NH2 3.23Å |
| 1939 | R | 87.2 | Confident | 87.8 | Confident | 121 Ų | 121 | 48 Ų | 48 | 46% | 0.457 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 168.6 | -95.2 | -169.3 | 158.8 | 101.4 | -2.5 | 111.6 | E1930 D1936 P1937 C1941 T1942 L1943 | E1930-R1939 HydrophobicContact CG-CB 4.35Å; D1936-R1939 HydrophobicContact CB-CB 4.25Å; D1936-R1939 WeakPolarHBondContact O-CB 3.37Å; D1936-R1939 PolarHBondContact O-N 3.01Å; P1937-R1939 VanDerWaalsContact C-N 3.34Å; P1937-R1939 PolarHBondContact O-N 3.4Å; R1939-C1941 VanDerWaalsContact C-N 3.27Å; R1939-C1941 PolarHBondContact O-N 3.3Å; R1939-T1942 WeakPolarHBondContact O-CB 3.14Å; R1939-T1942 PolarHBondContact O-N 2.77Å; R1939-T1942 VanDerWaalsContact O-N 3.16Å; R1939-L1943 WeakPolarHBondContact O-CG 3.28Å; R1939-L1943 PolarHBondContact O-N 3.27Å |
| 1940 | G | 91.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -53.9 | -47 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1936 P1937 L1943 F1944 | D1936-G1940 PolarHBondContact O-N 2.76Å; D1936-G1940 VanDerWaalsContact O-N 3.12Å; P1937-G1940 CarbonylContact O-C 3.56Å; P1937-G1940 WeakPolarHBondContact O-CA 3.27Å; P1937-G1940 PolarHBondContact O-N 2.83Å; P1937-G1940 VanDerWaalsContact O-N 3.09Å; G1940-L1943 PolarHBondContact O-N 2.98Å; G1940-F1944 VanDerWaalsContact O-CD2 3.23Å; G1940-F1944 WeakPolarHBondContact O-CD2 3.42Å; G1940-F1944 PolarHBondContact O-N 3.13Å |
| 1941 | C | 91.5 | Very high | 87.3 | Confident | 8 Ų | 8 | 58.4 Ų | 58.4 | 5% | 0.054 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.5 | -51.7 | 172.7 | -66.4 | 0 | 0 | 0 | 0 | 111.7 | F1931 P1937 D1938 R1939 L1943 F1944 E1945 Y1961 R1969 | F1931-C1941 WeakPolarHBondContact CZ-SG 2.93Å; P1937-C1941 PolarHBondContact O-N 2.99Å; P1937-C1941 PolarHBondContact O-SG 3.21Å; P1937-C1941 VanDerWaalsContact O-SG 3.34Å; D1938-C1941 WeakPolarHBondContact O-CB 3.41Å; D1938-C1941 PolarHBondContact O-N 2.84Å; R1939-C1941 VanDerWaalsContact C-N 3.27Å; R1939-C1941 PolarHBondContact O-N 3.3Å; C1941-L1943 PolarHBondContact O-N 2.97Å; C1941-F1944 CarbonylContact O-C 3.57Å; C1941-F1944 WeakPolarHBondContact O-CA 3.4Å; C1941-F1944 PolarHBondContact O-N 2.82Å; C1941-E1945 WeakPolarHBondContact O-CG 3.17Å; C1941-E1945 PolarHBondContact O-N 2.91Å; C1941-Y1961 HydrophobicContact CB-CE2 4.1Å; C1941-Y1961 WeakPolarHBondContact CB-OH 3.45Å; C1941-R1969 PolarHBondContact SG-NH1 3.15Å |
| 1942 | T | 92.1 | Very high | 87.1 | Confident | 93 Ų | 93 | 60.5 Ų | 60.5 | 57% | 0.571 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -54.1 | -40.3 | 179.4 | -54.8 | 0 | 0 | 0 | 0 | 112.3 | D1938 R1939 K1946 | D1938-T1942 PolarHBondContact O-N 2.93Å; D1938-T1942 PolarHBondContact O-OG1 3.29Å; R1939-T1942 WeakPolarHBondContact O-CB 3.14Å; R1939-T1942 PolarHBondContact O-N 2.77Å; R1939-T1942 VanDerWaalsContact O-N 3.16Å; T1942-K1946 WeakPolarHBondContact O-CB 3.28Å; T1942-K1946 PolarHBondContact O-N 3.33Å |
| 1943 | L | 92.6 | Very high | 86.9 | Confident | 31 Ų | 31 | 62.4 Ų | 62.4 | 16% | 0.162 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.3 | -39.5 | 176.7 | -68.7 | 172.9 | 0 | 0 | 0 | 112.5 | M1907 T1923 F1926 A1927 R1939 G1940 C1941 I1947 | M1907-L1943 HydrophobicContact CE-CD1 3.77Å; M1907-L1943 HydrophobicContact CE-CD2 3.63Å; M1907-L1943 HydrophobicContact CE-CG 4.36Å; M1907-L1943 HydrophobicContact SD-CD1 4.47Å; T1923-L1943 HydrophobicContact CG2-CB 4.02Å; T1923-L1943 HydrophobicContact CG2-CD2 4.06Å; F1926-L1943 HydrophobicContact CB-CD1 4.42Å; A1927-L1943 HydrophobicContact CB-CB 3.74Å; A1927-L1943 HydrophobicContact CB-CD1 4.2Å; R1939-L1943 WeakPolarHBondContact O-CG 3.28Å; R1939-L1943 PolarHBondContact O-N 3.27Å; G1940-L1943 PolarHBondContact O-N 2.98Å; C1941-L1943 PolarHBondContact O-N 2.97Å; L1943-I1947 WeakPolarHBondContact O-CG1 3.37Å; L1943-I1947 PolarHBondContact O-N 2.74Å; L1943-I1947 VanDerWaalsContact O-N 3.16Å |
| 1944 | F | 95.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67 | -43.3 | 173.2 | -81.1 | -60.5 | 0 | 0 | 0 | 112.3 | A1927 Q1928 F1931 G1940 C1941 K1946 I1947 L1948 I1957 V1960 Y1961 L1964 | A1927-F1944 HydrophobicContact CB-CD1 4.34Å; A1927-F1944 HydrophobicContact CB-CD2 3.64Å; A1927-F1944 HydrophobicContact CB-CE1 4.17Å; A1927-F1944 HydrophobicContact CB-CE2 3.41Å; A1927-F1944 VanDerWaalsContact CB-CE2 3.41Å; A1927-F1944 HydrophobicContact CB-CG 4.09Å; A1927-F1944 HydrophobicContact CB-CZ 3.72Å; Q1928-F1944 HydrophobicContact CG-CZ 4.13Å; F1931-F1944 HydrophobicContact CD2-CE2 4.16Å; F1931-F1944 AromaticContact CE2-CD2 3.87Å; F1931-F1944 HydrophobicContact CE2-CD2 3.87Å; F1931-F1944 AromaticContact CE2-CE2 3.82Å; F1931-F1944 HydrophobicContact CE2-CE2 3.82Å; G1940-F1944 VanDerWaalsContact O-CD2 3.23Å; G1940-F1944 WeakPolarHBondContact O-CD2 3.42Å; G1940-F1944 PolarHBondContact O-N 3.13Å; C1941-F1944 CarbonylContact O-C 3.57Å; C1941-F1944 WeakPolarHBondContact O-CA 3.4Å; C1941-F1944 PolarHBondContact O-N 2.82Å; F1944-K1946 VanDerWaalsContact C-N 3.3Å; F1944-K1946 PolarHBondContact O-N 2.78Å; F1944-I1947 HydrophobicContact CD1-CD1 4.27Å; F1944-I1947 WeakPolarHBondContact O-CB 3.24Å; F1944-I1947 PolarHBondContact O-N 3.2Å; F1944-I1947 VanDerWaalsContact O-N 3.11Å; F1944-L1948 WeakPolarHBondContact O-CB 3.42Å; F1944-L1948 VanDerWaalsContact O-CG 3.24Å; F1944-L1948 WeakPolarHBondContact O-CG 3.44Å; F1944-L1948 PolarHBondContact O-N 2.64Å; F1944-I1957 HydrophobicContact CD1-CG2 3.65Å; F1944-I1957 HydrophobicContact CE1-CG2 4.02Å; F1944-V1960 HydrophobicContact CE1-CG1 4.35Å; F1944-V1960 HydrophobicContact CZ-CG1 3.9Å; F1944-Y1961 HydrophobicContact CB-CD1 4.11Å; F1944-Y1961 HydrophobicContact CB-CD2 3.58Å; F1944-Y1961 HydrophobicContact CB-CE1 4.2Å; F1944-Y1961 HydrophobicContact CB-CE2 3.69Å; F1944-Y1961 HydrophobicContact CB-CG 3.8Å; F1944-Y1961 HydrophobicContact CD1-CG 4.47Å; F1944-Y1961 AromaticContact CD2-CD2 3.37Å; F1944-Y1961 HydrophobicContact CD2-CD2 3.37Å; F1944-Y1961 AromaticContact CD2-CE2 3.89Å; F1944-Y1961 HydrophobicContact CD2-CE2 3.89Å; F1944-Y1961 HydrophobicContact CD2-CG 4.1Å; F1944-Y1961 HydrophobicContact CE2-CD2 4.17Å; F1944-Y1961 AromaticContact CG-CD2 3.58Å; F1944-Y1961 HydrophobicContact CG-CD2 3.58Å; F1944-Y1961 HydrophobicContact CG-CE2 4.12Å; F1944-Y1961 AromaticContact CG-CG 3.89Å; F1944-Y1961 HydrophobicContact CG-CG 3.89Å; F1944-L1964 HydrophobicContact CE2-CD1 3.42Å; F1944-L1964 VanDerWaalsContact CE2-CD1 3.42Å; F1944-L1964 HydrophobicContact CZ-CD1 3.65Å |
| 1945 | E | 93.4 | Very high | 88 | Confident | 42 Ų | 42 | 64.2 Ų | 64.2 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.3 | -46 | 174.8 | -66.7 | -55.3 | 158.1 | 0 | 0 | 110.5 | C1941 I1947 L1948 D1949 Y1961 R1980 | C1941-E1945 WeakPolarHBondContact O-CG 3.17Å; C1941-E1945 PolarHBondContact O-N 2.91Å; E1945-I1947 VanDerWaalsContact C-N 3.3Å; E1945-I1947 PolarHBondContact O-N 3.41Å; E1945-L1948 CarbonylContact O-C 3.56Å; E1945-L1948 PolarHBondContact O-N 3.35Å; E1945-D1949 WeakPolarHBondContact O-CB 3.43Å; E1945-D1949 VanDerWaalsContact O-CG 3.26Å; E1945-D1949 PolarHBondContact O-N 2.9Å; E1945-Y1961 WeakPolarHBondContact OE1-CE1 3.25Å; E1945-Y1961 VanDerWaalsContact OE1-CZ 3.31Å; E1945-Y1961 PolarHBondContact OE1-OH 3.3Å; E1945-R1980 VanDerWaalsContact CD-NH1 3.33Å; E1945-R1980 IonicContact OE1-CZ 2.86Å; E1945-R1980 IonicContact OE1-NH1 3.86Å; E1945-R1980 PolarHBondContact OE1-NH1 2.75Å; E1945-R1980 IonicContact OE1-NH2 3.18Å; E1945-R1980 PolarHBondContact OE1-NH2 2.99Å; E1945-R1980 IonicContact OE2-CZ 2.96Å; E1945-R1980 IonicContact OE2-NH1 3.03Å; E1945-R1980 PolarHBondContact OE2-NH1 3.29Å; E1945-R1980 IonicContact OE2-NH2 2.87Å; E1945-R1980 PolarHBondContact OE2-NH2 3.25Å |
| 1946 | K | 90.7 | Very high | 88.4 | Confident | 129 Ų | 129 | 66.3 Ų | 66.3 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -57.8 | -40.4 | 175.3 | -171.2 | 176.4 | -177.8 | 176.7 | 0 | 113.2 | T1942 F1944 E1950 | T1942-K1946 WeakPolarHBondContact O-CB 3.28Å; T1942-K1946 PolarHBondContact O-N 3.33Å; F1944-K1946 VanDerWaalsContact C-N 3.3Å; F1944-K1946 PolarHBondContact O-N 2.78Å; K1946-E1950 PolarHBondContact O-N 3.14Å |
| 1947 | I | 90.8 | Very high | 88.7 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65 | -42.9 | 174.7 | -67.2 | 162.9 | 0 | 0 | 0 | 110.7 | I1920 T1923 L1943 F1944 E1945 E1950 K1951 I1957 | I1920-I1947 HydrophobicContact CG2-CG1 4.41Å; I1920-I1947 HydrophobicContact CG2-CG2 3.67Å; T1923-I1947 HydrophobicContact CG2-CD1 3.64Å; T1923-I1947 HydrophobicContact CG2-CG1 3.71Å; L1943-I1947 WeakPolarHBondContact O-CG1 3.37Å; L1943-I1947 PolarHBondContact O-N 2.74Å; L1943-I1947 VanDerWaalsContact O-N 3.16Å; F1944-I1947 HydrophobicContact CD1-CD1 4.27Å; F1944-I1947 WeakPolarHBondContact O-CB 3.24Å; F1944-I1947 PolarHBondContact O-N 3.2Å; F1944-I1947 VanDerWaalsContact O-N 3.11Å; E1945-I1947 VanDerWaalsContact C-N 3.3Å; E1945-I1947 PolarHBondContact O-N 3.41Å; I1947-E1950 PolarHBondContact O-N 2.84Å; I1947-K1951 PolarHBondContact O-N 3.44Å; I1947-I1957 HydrophobicContact CG2-CG1 4.26Å; I1947-I1957 HydrophobicContact CG2-CG2 4.11Å |
| 1948 | L | 90.2 | Very high | 89.1 | Confident | 5 Ų | 5 | 62.3 Ų | 62.3 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -75.3 | -28.6 | -174.5 | -68 | 174.2 | 0 | 0 | 0 | 112.4 | F1944 E1945 K1951 P1952 I1957 W1958 Y1961 | F1944-L1948 WeakPolarHBondContact O-CB 3.42Å; F1944-L1948 VanDerWaalsContact O-CG 3.24Å; F1944-L1948 WeakPolarHBondContact O-CG 3.44Å; F1944-L1948 PolarHBondContact O-N 2.64Å; E1945-L1948 CarbonylContact O-C 3.56Å; E1945-L1948 PolarHBondContact O-N 3.35Å; L1948-K1951 CarbonylContact O-C 3.55Å; L1948-P1952 WeakPolarHBondContact O-CA 3.49Å; L1948-P1952 VanDerWaalsContact O-CB 3.31Å; L1948-P1952 WeakPolarHBondContact O-CB 3.31Å; L1948-P1952 WeakPolarHBondContact O-CD 3.48Å; L1948-I1957 HydrophobicContact CD2-CB 4.29Å; L1948-I1957 HydrophobicContact CD2-CG2 3.84Å; L1948-I1957 HydrophobicContact CG-CG2 4.19Å; L1948-W1958 HydrophobicContact CB-CH2 4.49Å; L1948-W1958 HydrophobicContact CB-CZ2 4.14Å; L1948-W1958 HydrophobicContact CD1-CD2 3.84Å; L1948-W1958 HydrophobicContact CD1-CE3 3.75Å; L1948-W1958 HydrophobicContact CD1-CH2 3.73Å; L1948-W1958 HydrophobicContact CD1-CZ2 3.82Å; L1948-W1958 HydrophobicContact CD1-CZ3 3.71Å; L1948-W1958 HydrophobicContact CD2-CD2 3.85Å; L1948-W1958 VanDerWaalsContact CD2-CE2 3.43Å; L1948-W1958 HydrophobicContact CD2-CG 4.07Å; L1948-W1958 HydrophobicContact CD2-CZ2 3.85Å; L1948-W1958 HydrophobicContact CG-CD2 4.47Å; L1948-W1958 HydrophobicContact CG-CH2 4.49Å; L1948-W1958 HydrophobicContact CG-CZ2 4.14Å; L1948-Y1961 HydrophobicContact CD1-CD1 3.67Å; L1948-Y1961 HydrophobicContact CD1-CE1 4.06Å |
| 1949 | D | 86.8 | Confident | 89.3 | Confident | 129 Ų | 129 | 59.9 Ų | 59.9 | 69% | 0.69 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.2 | -42.9 | 168.8 | -71.5 | -20.5 | 0 | 0 | 0 | 110.8 | E1945 | E1945-D1949 WeakPolarHBondContact O-CB 3.43Å; E1945-D1949 VanDerWaalsContact O-CG 3.26Å; E1945-D1949 PolarHBondContact O-N 2.9Å |
| 1950 | E | 83.1 | Confident | 89.6 | Confident | 124 Ų | 124 | 56.4 Ų | 56.4 | 58% | 0.579 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -73.7 | -35.7 | 176.7 | -71.7 | -177.4 | -173.2 | 0 | 0 | 112.9 | K1946 I1947 | K1946-E1950 PolarHBondContact O-N 3.14Å; I1947-E1950 PolarHBondContact O-N 2.84Å |
| 1951 | K | 86.5 | Confident | 89.8 | Confident | 104 Ų | 104 | 56.7 Ų | 56.7 | 45% | 0.452 | 28% | 0.275 | S | S | . | . | trans | -141.9 | 66.1 | -169.4 | -64.8 | -82.9 | -179.3 | 173.4 | 0 | 112.1 | I1920 I1947 L1948 K1953 R1954 | I1920-K1951 HydrophobicContact CD1-CD 4.36Å; I1920-K1951 HydrophobicContact CD1-CG 3.83Å; I1947-K1951 PolarHBondContact O-N 3.44Å; L1948-K1951 CarbonylContact O-C 3.55Å; K1951-K1953 PolarHBondContact O-N 2.92Å; K1951-R1954 HydrophobicContact CB-CG 3.72Å; K1951-R1954 WeakPolarHBondContact O-CB 3.37Å; K1951-R1954 PolarHBondContact O-N 3.44Å; K1951-R1954 VanDerWaalsContact O-N 3.09Å | ||
| 1952 | P | 85.3 | Confident | 89.9 | Confident | 54 Ų | 54 | 56.4 Ų | 56.4 | 35% | 0.351 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15 | -172.3 | 23.3 | -33.5 | 0 | 0 | 0 | 114.3 | L1948 W1958 | L1948-P1952 WeakPolarHBondContact O-CA 3.49Å; L1948-P1952 VanDerWaalsContact O-CB 3.31Å; L1948-P1952 WeakPolarHBondContact O-CB 3.31Å; L1948-P1952 WeakPolarHBondContact O-CD 3.48Å; P1952-W1958 PolarHBondContact O-NE1 3.09Å |
| 1953 | K | 82.4 | Confident | 89.8 | Confident | 151 Ų | 151 | 55 Ų | 55 | 66% | 0.657 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 0.5 | 179.6 | -63.5 | -178.7 | -178.9 | 174 | 0 | 114.4 | K1951 Y1955 | K1951-K1953 PolarHBondContact O-N 2.92Å; K1953-Y1955 VanDerWaalsContact C-N 3.29Å; K1953-Y1955 PolarHBondContact O-N 3.25Å |
| 1954 | R | 85.7 | Confident | 89.8 | Confident | 56 Ų | 56 | 54 Ų | 54 | 21% | 0.211 | 26% | 0.256 | C | S | . | . | trans | -68.6 | 78.7 | 173.7 | -81.2 | -86.5 | -48.8 | -126.8 | 6.3 | 110.6 | D1921 K1951 D1956 I1957 W1958 | D1921-R1954 IonicContact OD1-CZ 2.8Å; D1921-R1954 IonicContact OD1-NH1 3.13Å; D1921-R1954 PolarHBondContact OD1-NH1 2.7Å; D1921-R1954 IonicContact OD1-NH2 2.89Å; D1921-R1954 PolarHBondContact OD1-NH2 2.89Å; K1951-R1954 HydrophobicContact CB-CG 3.72Å; K1951-R1954 WeakPolarHBondContact O-CB 3.37Å; K1951-R1954 PolarHBondContact O-N 3.44Å; K1951-R1954 VanDerWaalsContact O-N 3.09Å; R1954-D1956 IonicContact CZ-OD1 2.82Å; R1954-D1956 IonicContact CZ-OD2 3.8Å; R1954-D1956 VanDerWaalsContact CZ-OD2 3.31Å; R1954-D1956 IonicContact NE-OD1 3.77Å; R1954-D1956 PolarHBondContact NE-OD1 3.31Å; R1954-D1956 IonicContact NE-OD2 2.97Å; R1954-D1956 PolarHBondContact NE-OD2 2.85Å; R1954-D1956 IonicContact NH2-OD1 3.56Å; R1954-D1956 IonicContact NH2-OD2 3.82Å; R1954-D1956 PolarHBondContact NH2-OD2 3.5Å; R1954-D1956 PolarHBondContact O-N 3.3Å; R1954-I1957 HydrophobicContact CB-CB 4.09Å; R1954-I1957 HydrophobicContact CB-CG1 3.94Å; R1954-I1957 HydrophobicContact CG-CG1 4.45Å; R1954-I1957 VanDerWaalsContact NH2-CG1 3.29Å; R1954-I1957 PolarHBondContact O-N 3.45Å; R1954-I1957 VanDerWaalsContact O-N 3.11Å; R1954-W1958 VanDerWaalsContact O-CD1 3.23Å; R1954-W1958 PolarHBondContact O-N 2.86Å | ||
| 1955 | Y | 86.3 | Confident | 89.6 | Confident | 102 Ų | 102 | 54 Ų | 54 | 40% | 0.4 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.7 | -28.4 | -174.9 | 85.8 | -81.8 | 0 | 0 | 0 | 113.9 | K1953 W1958 H1959 K1990 | K1953-Y1955 VanDerWaalsContact C-N 3.29Å; K1953-Y1955 PolarHBondContact O-N 3.25Å; Y1955-W1958 PolarHBondContact O-N 2.88Å; Y1955-H1959 AromaticContact CD2-CD2 3.89Å; Y1955-H1959 PolarHBondContact O-CD2 2.89Å; Y1955-H1959 PolarHBondContact O-N 2.88Å; Y1955-K1990 HydrophobicContact CD1-CD 4.34Å; Y1955-K1990 HydrophobicContact CG-CD 4.48Å |
| 1956 | D | 86.3 | Confident | 89.3 | Confident | 64 Ų | 64 | 52.9 Ų | 52.9 | 34% | 0.342 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | 175.8 | 62.7 | -45.1 | 0 | 0 | 0 | 111.9 | R1954 H1959 V1960 | R1954-D1956 IonicContact CZ-OD1 2.82Å; R1954-D1956 IonicContact CZ-OD2 3.8Å; R1954-D1956 VanDerWaalsContact CZ-OD2 3.31Å; R1954-D1956 IonicContact NE-OD1 3.77Å; R1954-D1956 PolarHBondContact NE-OD1 3.31Å; R1954-D1956 IonicContact NE-OD2 2.97Å; R1954-D1956 PolarHBondContact NE-OD2 2.85Å; R1954-D1956 IonicContact NH2-OD1 3.56Å; R1954-D1956 IonicContact NH2-OD2 3.82Å; R1954-D1956 PolarHBondContact NH2-OD2 3.5Å; R1954-D1956 PolarHBondContact O-N 3.3Å; D1956-H1959 PolarHBondContact O-N 3.26Å; D1956-V1960 WeakPolarHBondContact O-CG2 3.36Å; D1956-V1960 PolarHBondContact O-N 3.3Å |
| 1957 | I | 91.1 | Very high | 89.2 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 175.5 | -65.1 | -63.3 | 0 | 0 | 0 | 110.9 | S1924 F1944 I1947 L1948 R1954 H1959 V1960 Y1961 | S1924-I1957 WeakPolarHBondContact OG-CD1 3.5Å; F1944-I1957 HydrophobicContact CD1-CG2 3.65Å; F1944-I1957 HydrophobicContact CE1-CG2 4.02Å; I1947-I1957 HydrophobicContact CG2-CG1 4.26Å; I1947-I1957 HydrophobicContact CG2-CG2 4.11Å; L1948-I1957 HydrophobicContact CD2-CB 4.29Å; L1948-I1957 HydrophobicContact CD2-CG2 3.84Å; L1948-I1957 HydrophobicContact CG-CG2 4.19Å; R1954-I1957 HydrophobicContact CB-CB 4.09Å; R1954-I1957 HydrophobicContact CB-CG1 3.94Å; R1954-I1957 HydrophobicContact CG-CG1 4.45Å; R1954-I1957 VanDerWaalsContact NH2-CG1 3.29Å; R1954-I1957 PolarHBondContact O-N 3.45Å; R1954-I1957 VanDerWaalsContact O-N 3.11Å; I1957-H1959 VanDerWaalsContact C-N 3.33Å; I1957-H1959 PolarHBondContact O-N 3.47Å; I1957-V1960 PolarHBondContact O-N 3.35Å; I1957-Y1961 VanDerWaalsContact O-CB 3.31Å; I1957-Y1961 WeakPolarHBondContact O-CB 3.44Å; I1957-Y1961 PolarHBondContact O-N 3.05Å |
| 1958 | W | 93.5 | Very high | 89.1 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58 | -43.9 | 175.9 | -74 | 107.2 | 0 | 0 | 0 | 112.4 | L1948 P1952 R1954 Y1955 V1960 Y1961 I1962 I1977 R1980 V1981 L1984 F1994 | L1948-W1958 HydrophobicContact CB-CH2 4.49Å; L1948-W1958 HydrophobicContact CB-CZ2 4.14Å; L1948-W1958 HydrophobicContact CD1-CD2 3.84Å; L1948-W1958 HydrophobicContact CD1-CE3 3.75Å; L1948-W1958 HydrophobicContact CD1-CH2 3.73Å; L1948-W1958 HydrophobicContact CD1-CZ2 3.82Å; L1948-W1958 HydrophobicContact CD1-CZ3 3.71Å; L1948-W1958 HydrophobicContact CD2-CD2 3.85Å; L1948-W1958 VanDerWaalsContact CD2-CE2 3.43Å; L1948-W1958 HydrophobicContact CD2-CG 4.07Å; L1948-W1958 HydrophobicContact CD2-CZ2 3.85Å; L1948-W1958 HydrophobicContact CG-CD2 4.47Å; L1948-W1958 HydrophobicContact CG-CH2 4.49Å; L1948-W1958 HydrophobicContact CG-CZ2 4.14Å; P1952-W1958 PolarHBondContact O-NE1 3.09Å; R1954-W1958 VanDerWaalsContact O-CD1 3.23Å; R1954-W1958 PolarHBondContact O-N 2.86Å; Y1955-W1958 PolarHBondContact O-N 2.88Å; W1958-V1960 PolarHBondContact O-N 2.82Å; W1958-Y1961 PolarHBondContact O-N 3.36Å; W1958-I1962 WeakPolarHBondContact O-CB 3.25Å; W1958-I1962 WeakPolarHBondContact O-CD1 3.26Å; W1958-I1962 WeakPolarHBondContact O-CG1 3.28Å; W1958-I1962 PolarHBondContact O-N 2.9Å; W1958-I1977 HydrophobicContact CE3-CG2 3.73Å; W1958-I1977 HydrophobicContact CZ3-CG2 3.75Å; W1958-R1980 HydrophobicContact CH2-CG 4.36Å; W1958-V1981 HydrophobicContact CB-CG2 4.04Å; W1958-V1981 HydrophobicContact CD2-CB 4.11Å; W1958-V1981 HydrophobicContact CD2-CG2 3.27Å; W1958-V1981 HydrophobicContact CE3-CB 4Å; W1958-V1981 HydrophobicContact CE3-CG2 3.69Å; W1958-V1981 HydrophobicContact CG-CG2 3.43Å; W1958-V1981 VanDerWaalsContact CG-CG2 3.43Å; W1958-V1981 HydrophobicContact CH2-CG2 4.48Å; W1958-V1981 HydrophobicContact CZ2-CG2 4.15Å; W1958-V1981 HydrophobicContact CZ3-CB 4.33Å; W1958-V1981 HydrophobicContact CZ3-CG2 4.26Å; W1958-L1984 HydrophobicContact CZ2-CD1 3.71Å; W1958-F1994 HydrophobicContact CB-CE1 3.64Å; W1958-F1994 HydrophobicContact CB-CZ 3.64Å; W1958-F1994 HydrophobicContact CG-CZ 4.23Å |
| 1959 | H | 93.2 | Very high | 88.9 | Confident | 30 Ų | 30 | 61 Ų | 61 | 14% | 0.139 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 177.2 | -84.3 | -60.4 | 0 | 0 | 0 | 112.3 | Y1955 D1956 I1957 Y1961 I1962 D1963 S1993 F1994 | Y1955-H1959 AromaticContact CD2-CD2 3.89Å; Y1955-H1959 PolarHBondContact O-CD2 2.89Å; Y1955-H1959 PolarHBondContact O-N 2.88Å; D1956-H1959 PolarHBondContact O-N 3.26Å; I1957-H1959 VanDerWaalsContact C-N 3.33Å; I1957-H1959 PolarHBondContact O-N 3.47Å; H1959-Y1961 VanDerWaalsContact C-N 3.31Å; H1959-Y1961 PolarHBondContact O-N 3.34Å; H1959-I1962 PolarHBondContact O-N 3.2Å; H1959-D1963 WeakPolarHBondContact O-CB 3.4Å; H1959-D1963 PolarHBondContact O-N 3.28Å; H1959-S1993 PolarHBondContact CE1-OG 2.94Å; H1959-S1993 PolarHBondContact NE2-OG 3.12Å; H1959-F1994 AromaticContact CE1-CD1 3.79Å; H1959-F1994 AromaticContact CE1-CE1 3.89Å; H1959-F1994 AromaticContact NE2-CE1 3.85Å |
| 1960 | V | 92.8 | Very high | 88.7 | Confident | 48 Ų | 48 | 56.7 Ų | 56.7 | 29% | 0.291 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 176.5 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | Q1928 F1944 D1956 I1957 W1958 D1963 L1964 | Q1928-V1960 HydrophobicContact CG-CG1 3.97Å; F1944-V1960 HydrophobicContact CE1-CG1 4.35Å; F1944-V1960 HydrophobicContact CZ-CG1 3.9Å; D1956-V1960 WeakPolarHBondContact O-CG2 3.36Å; D1956-V1960 PolarHBondContact O-N 3.3Å; I1957-V1960 PolarHBondContact O-N 3.35Å; W1958-V1960 PolarHBondContact O-N 2.82Å; V1960-D1963 PolarHBondContact O-N 3.33Å; V1960-L1964 HydrophobicContact CG1-CD1 3.74Å; V1960-L1964 HydrophobicContact CG1-CG 4.33Å; V1960-L1964 VanDerWaalsContact O-CG 3.23Å; V1960-L1964 WeakPolarHBondContact O-CG 3.41Å; V1960-L1964 PolarHBondContact O-N 2.95Å |
| 1961 | Y | 95.1 | Very high | 88.8 | Confident | 7 Ų | 7 | 51.9 Ų | 51.9 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.3 | -41.8 | -178.3 | -173.5 | -145.6 | 0 | 0 | 0 | 112.6 | F1931 C1941 F1944 E1945 L1948 I1957 W1958 H1959 L1964 N1965 I1977 | F1931-Y1961 HydrophobicContact CZ-CE2 4.42Å; C1941-Y1961 HydrophobicContact CB-CE2 4.1Å; C1941-Y1961 WeakPolarHBondContact CB-OH 3.45Å; F1944-Y1961 HydrophobicContact CB-CD1 4.11Å; F1944-Y1961 HydrophobicContact CB-CD2 3.58Å; F1944-Y1961 HydrophobicContact CB-CE1 4.2Å; F1944-Y1961 HydrophobicContact CB-CE2 3.69Å; F1944-Y1961 HydrophobicContact CB-CG 3.8Å; F1944-Y1961 HydrophobicContact CD1-CG 4.47Å; F1944-Y1961 AromaticContact CD2-CD2 3.37Å; F1944-Y1961 HydrophobicContact CD2-CD2 3.37Å; F1944-Y1961 AromaticContact CD2-CE2 3.89Å; F1944-Y1961 HydrophobicContact CD2-CE2 3.89Å; F1944-Y1961 HydrophobicContact CD2-CG 4.1Å; F1944-Y1961 HydrophobicContact CE2-CD2 4.17Å; F1944-Y1961 AromaticContact CG-CD2 3.58Å; F1944-Y1961 HydrophobicContact CG-CD2 3.58Å; F1944-Y1961 HydrophobicContact CG-CE2 4.12Å; F1944-Y1961 AromaticContact CG-CG 3.89Å; F1944-Y1961 HydrophobicContact CG-CG 3.89Å; E1945-Y1961 WeakPolarHBondContact OE1-CE1 3.25Å; E1945-Y1961 VanDerWaalsContact OE1-CZ 3.31Å; E1945-Y1961 PolarHBondContact OE1-OH 3.3Å; L1948-Y1961 HydrophobicContact CD1-CD1 3.67Å; L1948-Y1961 HydrophobicContact CD1-CE1 4.06Å; I1957-Y1961 VanDerWaalsContact O-CB 3.31Å; I1957-Y1961 WeakPolarHBondContact O-CB 3.44Å; I1957-Y1961 PolarHBondContact O-N 3.05Å; W1958-Y1961 PolarHBondContact O-N 3.36Å; H1959-Y1961 VanDerWaalsContact C-N 3.31Å; H1959-Y1961 PolarHBondContact O-N 3.34Å; Y1961-L1964 PolarHBondContact O-N 2.86Å; Y1961-N1965 WeakPolarHBondContact CD2-ND2 3.4Å; Y1961-N1965 WeakPolarHBondContact CE2-ND2 3.45Å; Y1961-N1965 PolarHBondContact O-N 3.43Å; Y1961-N1965 VanDerWaalsContact O-N 3.1Å; Y1961-N1965 PolarHBondContact O-ND2 3.29Å; Y1961-I1977 HydrophobicContact CD1-CD1 3.98Å; Y1961-I1977 HydrophobicContact CD1-CG1 4.43Å; Y1961-I1977 HydrophobicContact CD1-CG2 3.82Å; Y1961-I1977 HydrophobicContact CD2-CD1 4.45Å; Y1961-I1977 HydrophobicContact CE1-CD1 3.63Å; Y1961-I1977 HydrophobicContact CE1-CG1 3.99Å; Y1961-I1977 HydrophobicContact CE1-CG2 4.14Å; Y1961-I1977 HydrophobicContact CE2-CD1 4.13Å; Y1961-I1977 HydrophobicContact CG-CD1 4.38Å |
| 1962 | I | 93.5 | Very high | 88.8 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.2 | -47.1 | 173.9 | -68.4 | 160.8 | 0 | 0 | 0 | 110.5 | W1958 H1959 L1964 N1965 A1966 I1977 I1978 F1994 L2001 | W1958-I1962 WeakPolarHBondContact O-CB 3.25Å; W1958-I1962 WeakPolarHBondContact O-CD1 3.26Å; W1958-I1962 WeakPolarHBondContact O-CG1 3.28Å; W1958-I1962 PolarHBondContact O-N 2.9Å; H1959-I1962 PolarHBondContact O-N 3.2Å; I1962-L1964 VanDerWaalsContact C-N 3.35Å; I1962-L1964 PolarHBondContact O-N 3.49Å; I1962-N1965 PolarHBondContact O-N 3.16Å; I1962-A1966 WeakPolarHBondContact O-CB 3.5Å; I1962-A1966 PolarHBondContact O-N 2.93Å; I1962-I1977 HydrophobicContact CD1-CG2 4.43Å; I1962-I1977 HydrophobicContact CG1-CB 4.34Å; I1962-I1977 HydrophobicContact CG1-CG2 3.58Å; I1962-I1978 HydrophobicContact CD1-CG1 3.74Å; I1962-I1978 HydrophobicContact CG1-CG1 3.95Å; I1962-I1978 HydrophobicContact CG2-CD1 3.9Å; I1962-I1978 HydrophobicContact CG2-CG1 3.89Å; I1962-F1994 HydrophobicContact CD1-CD1 4.11Å; I1962-F1994 HydrophobicContact CD1-CE1 4.11Å; I1962-L2001 HydrophobicContact CG2-CD1 3.58Å |
| 1963 | D | 91.9 | Very high | 88.9 | Confident | 65 Ų | 65 | 52.6 Ų | 52.6 | 35% | 0.348 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.8 | -35.9 | -178.2 | -81.6 | -26.4 | 0 | 0 | 0 | 112.9 | H1959 V1960 K1967 K1997 | H1959-D1963 WeakPolarHBondContact O-CB 3.4Å; H1959-D1963 PolarHBondContact O-N 3.28Å; V1960-D1963 PolarHBondContact O-N 3.33Å; D1963-K1967 VanDerWaalsContact O-CB 3.25Å; D1963-K1967 WeakPolarHBondContact O-CB 3.19Å; D1963-K1967 PolarHBondContact O-N 2.72Å; D1963-K1967 VanDerWaalsContact O-N 3.13Å; D1963-K1997 WeakPolarHBondContact OD1-CE 3.34Å; D1963-K1997 IonicContact OD1-NZ 3.16Å; D1963-K1997 PolarHBondContact OD1-NZ 2.9Å; D1963-K1997 IonicContact OD2-NZ 3.87Å; D1963-K1997 PolarHBondContact OD2-NZ 3.2Å |
| 1964 | L | 92.1 | Very high | 89.3 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 5% | 0.047 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.3 | -42.6 | 176.5 | -68.9 | 168.6 | 0 | 0 | 0 | 112 | Q1928 F1931 K1932 F1944 V1960 Y1961 I1962 K1967 Y1968 | Q1928-L1964 HydrophobicContact CG-CD1 3.79Å; F1931-L1964 HydrophobicContact CB-CD2 4.04Å; F1931-L1964 HydrophobicContact CD1-CB 4.02Å; F1931-L1964 HydrophobicContact CD2-CB 4.07Å; F1931-L1964 HydrophobicContact CD2-CD1 3.81Å; F1931-L1964 HydrophobicContact CD2-CG 4.4Å; F1931-L1964 HydrophobicContact CE1-CB 4.08Å; F1931-L1964 HydrophobicContact CE2-CB 4.18Å; F1931-L1964 HydrophobicContact CE2-CD1 4.2Å; F1931-L1964 HydrophobicContact CG-CB 3.99Å; F1931-L1964 HydrophobicContact CG-CD1 4.28Å; F1931-L1964 HydrophobicContact CG-CD2 4.35Å; F1931-L1964 HydrophobicContact CG-CG 4.43Å; F1931-L1964 HydrophobicContact CZ-CB 4.15Å; K1932-L1964 HydrophobicContact CG-CD2 4.45Å; F1944-L1964 HydrophobicContact CE2-CD1 3.42Å; F1944-L1964 VanDerWaalsContact CE2-CD1 3.42Å; F1944-L1964 HydrophobicContact CZ-CD1 3.65Å; V1960-L1964 HydrophobicContact CG1-CD1 3.74Å; V1960-L1964 HydrophobicContact CG1-CG 4.33Å; V1960-L1964 VanDerWaalsContact O-CG 3.23Å; V1960-L1964 WeakPolarHBondContact O-CG 3.41Å; V1960-L1964 PolarHBondContact O-N 2.95Å; Y1961-L1964 PolarHBondContact O-N 2.86Å; I1962-L1964 VanDerWaalsContact C-N 3.35Å; I1962-L1964 PolarHBondContact O-N 3.49Å; L1964-K1967 PolarHBondContact O-N 3.49Å; L1964-Y1968 HydrophobicContact CD2-CD2 3.91Å; L1964-Y1968 HydrophobicContact CD2-CE2 3.77Å; L1964-Y1968 WeakPolarHBondContact O-CB 3.42Å; L1964-Y1968 WeakPolarHBondContact O-CD2 3.47Å; L1964-Y1968 PolarHBondContact O-N 3.35Å |
| 1965 | N | 91.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.3 | -44.5 | 176 | -81.2 | -85.2 | 0 | 0 | 0 | 111.7 | Y1961 I1962 K1967 R1969 S1970 E1973 A1974 I1977 | Y1961-N1965 WeakPolarHBondContact CD2-ND2 3.4Å; Y1961-N1965 WeakPolarHBondContact CE2-ND2 3.45Å; Y1961-N1965 PolarHBondContact O-N 3.43Å; Y1961-N1965 VanDerWaalsContact O-N 3.1Å; Y1961-N1965 PolarHBondContact O-ND2 3.29Å; I1962-N1965 PolarHBondContact O-N 3.16Å; N1965-K1967 PolarHBondContact O-N 2.79Å; N1965-R1969 CarbonylContact O-C 3.46Å; N1965-R1969 WeakPolarHBondContact O-CA 3.27Å; N1965-R1969 PolarHBondContact O-N 3.39Å; N1965-R1969 WeakPolarHBondContact OD1-CD 3.46Å; N1965-S1970 PolarHBondContact O-N 3.02Å; N1965-E1973 PolarHBondContact OD1-OE2 3.18Å; N1965-A1974 HydrophobicContact CB-CB 4.27Å; N1965-I1977 HydrophobicContact CB-CD1 3.98Å; N1965-I1977 VanDerWaalsContact CG-CD1 3.45Å; N1965-I1977 WeakPolarHBondContact ND2-CD1 3.37Å |
| 1966 | A | 87.6 | Confident | 89.7 | Confident | 18 Ų | 18 | 45.8 Ų | 45.8 | 15% | 0.149 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63 | -28.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | I1962 M1971 A1974 L2001 | I1962-A1966 WeakPolarHBondContact O-CB 3.5Å; I1962-A1966 PolarHBondContact O-N 2.93Å; A1966-M1971 HydrophobicContact CB-SD 4.26Å; A1966-A1974 HydrophobicContact CB-CB 3.94Å; A1966-L2001 HydrophobicContact CB-CD2 4.15Å |
| 1967 | K | 88.6 | Confident | 90 | Very high | 147 Ų | 147 | 43.2 Ų | 43.2 | 64% | 0.639 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -92.9 | -38.6 | -177.7 | -173.8 | 174.6 | 179.1 | -167.8 | 0 | 114.2 | D1963 L1964 N1965 | D1963-K1967 VanDerWaalsContact O-CB 3.25Å; D1963-K1967 WeakPolarHBondContact O-CB 3.19Å; D1963-K1967 PolarHBondContact O-N 2.72Å; D1963-K1967 VanDerWaalsContact O-N 3.13Å; L1964-K1967 PolarHBondContact O-N 3.49Å; N1965-K1967 PolarHBondContact O-N 2.79Å |
| 1968 | Y | 87.2 | Confident | 90 | Very high | 85 Ų | 85 | 43.2 Ų | 43.2 | 33% | 0.333 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -116.9 | -11.4 | -168.8 | -63.9 | -77.6 | 0 | 0 | 0 | 113.9 | F1931 K1932 L1964 | F1931-Y1968 HydrophobicContact CB-CD2 4.1Å; F1931-Y1968 HydrophobicContact CB-CG 4.41Å; F1931-Y1968 HydrophobicContact CD1-CD2 4.34Å; F1931-Y1968 HydrophobicContact CD1-CG 4.38Å; F1931-Y1968 WeakPolarHBondContact O-CD1 3.41Å; K1932-Y1968 HydrophobicContact CG-CE2 4.01Å; L1964-Y1968 HydrophobicContact CD2-CD2 3.91Å; L1964-Y1968 HydrophobicContact CD2-CE2 3.77Å; L1964-Y1968 WeakPolarHBondContact O-CB 3.42Å; L1964-Y1968 WeakPolarHBondContact O-CD2 3.47Å; L1964-Y1968 PolarHBondContact O-N 3.35Å |
| 1969 | R | 86.4 | Confident | 89.8 | Confident | 78 Ų | 78 | 46.2 Ų | 46.2 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -119.3 | -124.9 | 173.1 | -62.2 | -168.8 | 73.4 | -175.9 | 8.1 | 109.4 | F1931 P1937 D1938 C1941 N1965 E1973 | F1931-R1969 HydrophobicContact CE1-CG 4.01Å; P1937-R1969 HydrophobicContact CB-CG 3.87Å; D1938-R1969 IonicContact OD1-CZ 2.74Å; D1938-R1969 IonicContact OD1-NE 3.21Å; D1938-R1969 IonicContact OD1-NH1 3.38Å; D1938-R1969 PolarHBondContact OD1-NH1 2.81Å; D1938-R1969 VanDerWaalsContact OD1-NH1 3.1Å; D1938-R1969 IonicContact OD1-NH2 3.83Å; D1938-R1969 PolarHBondContact OD1-NH2 3.23Å; C1941-R1969 PolarHBondContact SG-NH1 3.15Å; N1965-R1969 CarbonylContact O-C 3.46Å; N1965-R1969 WeakPolarHBondContact O-CA 3.27Å; N1965-R1969 PolarHBondContact O-N 3.39Å; N1965-R1969 WeakPolarHBondContact OD1-CD 3.46Å; R1969-E1973 IonicContact CZ-OE1 3.71Å; R1969-E1973 IonicContact CZ-OE2 3.86Å; R1969-E1973 IonicContact NE-OE1 3.52Å; R1969-E1973 IonicContact NE-OE2 2.69Å; R1969-E1973 PolarHBondContact NE-OE2 3.02Å; R1969-E1973 IonicContact NH1-OE1 2.98Å; R1969-E1973 PolarHBondContact NH1-OE1 3.2Å; R1969-E1973 IonicContact NH1-OE2 3.7Å; R1969-E1973 PolarHBondContact NH1-OE2 3.34Å; R1969-E1973 IonicContact NH2-OE1 3.39Å; R1969-E1973 PolarHBondContact NH2-OE1 3.12Å; R1969-E1973 IonicContact NH2-OE2 2.67Å; R1969-E1973 PolarHBondContact NH2-OE2 3.01Å |
| 1970 | S | 83 | Confident | 89.8 | Confident | 38 Ų | 38 | 49.2 Ų | 49.2 | 27% | 0.266 | 23% | 0.231 | S | C | . | . | trans | -120.5 | 156.4 | 179.7 | 78 | 0 | 0 | 0 | 0 | 112.4 | N1965 E1972 E1973 A1974 | N1965-S1970 PolarHBondContact O-N 3.02Å; S1970-E1972 VanDerWaalsContact C-N 3.29Å; S1970-E1972 WeakPolarHBondContact CB-OE2 3.25Å; S1970-E1972 PolarHBondContact OG-OE2 3.49Å; S1970-E1973 PolarHBondContact O-N 2.82Å; S1970-E1973 PolarHBondContact OG-N 3.37Å; S1970-A1974 PolarHBondContact O-N 3.19Å | ||
| 1971 | M | 85.9 | Confident | 89.6 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 11% | 0.113 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.3 | -30.7 | 174.4 | -169.4 | 61.6 | -138.2 | 0 | 0 | 111.3 | A1966 E1973 A1974 R1975 L2001 Y2005 | A1966-M1971 HydrophobicContact CB-SD 4.26Å; M1971-E1973 VanDerWaalsContact C-N 3.35Å; M1971-E1973 PolarHBondContact O-N 3Å; M1971-A1974 HydrophobicContact CE-CB 4.06Å; M1971-A1974 PolarHBondContact O-N 2.96Å; M1971-A1974 HydrophobicContact SD-CB 4.25Å; M1971-R1975 HydrophobicContact CE-CG 4.01Å; M1971-R1975 WeakPolarHBondContact O-CG 3.3Å; M1971-R1975 PolarHBondContact O-N 3.21Å; M1971-L2001 HydrophobicContact CE-CB 3.72Å; M1971-L2001 HydrophobicContact CE-CD1 4.24Å; M1971-L2001 HydrophobicContact CE-CG 4.43Å; M1971-L2001 HydrophobicContact SD-CB 4.41Å; M1971-Y2005 HydrophobicContact SD-CD2 3.78Å; M1971-Y2005 HydrophobicContact SD-CG 4.19Å |
| 1972 | E | 85.6 | Confident | 89.3 | Confident | 112 Ų | 112 | 48 Ų | 48 | 52% | 0.523 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 173.9 | -66.7 | 82.8 | -163.8 | 0 | 0 | 112.1 | S1970 R1975 L1976 | S1970-E1972 VanDerWaalsContact C-N 3.29Å; S1970-E1972 WeakPolarHBondContact CB-OE2 3.25Å; S1970-E1972 PolarHBondContact OG-OE2 3.49Å; E1972-R1975 WeakPolarHBondContact O-CB 3.41Å; E1972-R1975 PolarHBondContact O-N 3.21Å; E1972-L1976 PolarHBondContact O-N 3.37Å |
| 1973 | E | 88.5 | Confident | 88.8 | Confident | 60 Ų | 60 | 52.1 Ų | 52.1 | 28% | 0.28 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 176.7 | -73.5 | -157.9 | -163.9 | 0 | 0 | 112 | N1965 R1969 S1970 M1971 R1975 L1976 I1977 | N1965-E1973 PolarHBondContact OD1-OE2 3.18Å; R1969-E1973 IonicContact CZ-OE1 3.71Å; R1969-E1973 IonicContact CZ-OE2 3.86Å; R1969-E1973 IonicContact NE-OE1 3.52Å; R1969-E1973 IonicContact NE-OE2 2.69Å; R1969-E1973 PolarHBondContact NE-OE2 3.02Å; R1969-E1973 IonicContact NH1-OE1 2.98Å; R1969-E1973 PolarHBondContact NH1-OE1 3.2Å; R1969-E1973 IonicContact NH1-OE2 3.7Å; R1969-E1973 PolarHBondContact NH1-OE2 3.34Å; R1969-E1973 IonicContact NH2-OE1 3.39Å; R1969-E1973 PolarHBondContact NH2-OE1 3.12Å; R1969-E1973 IonicContact NH2-OE2 2.67Å; R1969-E1973 PolarHBondContact NH2-OE2 3.01Å; S1970-E1973 PolarHBondContact O-N 2.82Å; S1970-E1973 PolarHBondContact OG-N 3.37Å; M1971-E1973 VanDerWaalsContact C-N 3.35Å; M1971-E1973 PolarHBondContact O-N 3Å; E1973-R1975 VanDerWaalsContact C-N 3.26Å; E1973-R1975 PolarHBondContact O-N 2.91Å; E1973-L1976 PolarHBondContact O-N 3.5Å; E1973-I1977 WeakPolarHBondContact O-CG1 3.21Å; E1973-I1977 PolarHBondContact O-N 3.4Å |
| 1974 | A | 90.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.3 | -38.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1965 A1966 S1970 M1971 I1977 I1978 | N1965-A1974 HydrophobicContact CB-CB 4.27Å; A1966-A1974 HydrophobicContact CB-CB 3.94Å; S1970-A1974 PolarHBondContact O-N 3.19Å; M1971-A1974 HydrophobicContact CE-CB 4.06Å; M1971-A1974 PolarHBondContact O-N 2.96Å; M1971-A1974 HydrophobicContact SD-CB 4.25Å; A1974-I1977 PolarHBondContact O-N 3.33Å; A1974-I1978 WeakPolarHBondContact O-CD1 3.42Å; A1974-I1978 VanDerWaalsContact O-CG1 3.22Å; A1974-I1978 WeakPolarHBondContact O-CG1 3.16Å; A1974-I1978 PolarHBondContact O-N 3.18Å |
| 1975 | R | 90 | Very high | 87.8 | Confident | 51 Ų | 51 | 60.8 Ų | 60.8 | 19% | 0.192 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62 | -46.7 | 174.4 | -73.1 | 177.5 | -175.2 | 126.6 | 0.5 | 111.9 | M1971 E1972 E1973 I1977 I1978 E1979 E2002 D2010 | M1971-R1975 HydrophobicContact CE-CG 4.01Å; M1971-R1975 WeakPolarHBondContact O-CG 3.3Å; M1971-R1975 PolarHBondContact O-N 3.21Å; E1972-R1975 WeakPolarHBondContact O-CB 3.41Å; E1972-R1975 PolarHBondContact O-N 3.21Å; E1973-R1975 VanDerWaalsContact C-N 3.26Å; E1973-R1975 PolarHBondContact O-N 2.91Å; R1975-I1977 VanDerWaalsContact C-N 3.28Å; R1975-I1977 PolarHBondContact O-N 3.16Å; R1975-I1978 PolarHBondContact O-N 2.67Å; R1975-I1978 VanDerWaalsContact O-N 3.15Å; R1975-E1979 WeakPolarHBondContact O-CB 3.22Å; R1975-E1979 WeakPolarHBondContact O-CG 3.34Å; R1975-E1979 PolarHBondContact O-N 3.04Å; R1975-E2002 WeakPolarHBondContact CD-OE1 3.24Å; R1975-E2002 VanDerWaalsContact CG-OE1 3.31Å; R1975-E2002 WeakPolarHBondContact CG-OE1 3.44Å; R1975-E2002 IonicContact CZ-OE1 3.1Å; R1975-E2002 IonicContact CZ-OE2 2.69Å; R1975-E2002 IonicContact NE-OE1 3.85Å; R1975-E2002 PolarHBondContact NE-OE1 2.82Å; R1975-E2002 IonicContact NE-OE2 2.96Å; R1975-E2002 PolarHBondContact NE-OE2 3.36Å; R1975-E2002 IonicContact NH2-OE2 2.67Å; R1975-E2002 PolarHBondContact NH2-OE2 3.49Å; R1975-D2010 IonicContact NH2-OD2 3.29Å |
| 1976 | L | 90.2 | Very high | 87.2 | Confident | 116 Ų | 116 | 62 Ų | 62 | 61% | 0.607 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.7 | -41.7 | 178.3 | -68.7 | 172.1 | 0 | 0 | 0 | 111.7 | E1972 E1973 E1979 R1980 | E1972-L1976 PolarHBondContact O-N 3.37Å; E1973-L1976 PolarHBondContact O-N 3.5Å; L1976-E1979 PolarHBondContact O-N 3.18Å; L1976-R1980 WeakPolarHBondContact O-CB 3.07Å; L1976-R1980 PolarHBondContact O-N 2.95Å |
| 1977 | I | 91.6 | Very high | 86.8 | Confident | 10 Ų | 10 | 64 Ų | 64 | 5% | 0.051 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 176.7 | -64.3 | 167.1 | 0 | 0 | 0 | 110.8 | W1958 Y1961 I1962 N1965 E1973 A1974 R1975 R1980 V1981 | W1958-I1977 HydrophobicContact CE3-CG2 3.73Å; W1958-I1977 HydrophobicContact CZ3-CG2 3.75Å; Y1961-I1977 HydrophobicContact CD1-CD1 3.98Å; Y1961-I1977 HydrophobicContact CD1-CG1 4.43Å; Y1961-I1977 HydrophobicContact CD1-CG2 3.82Å; Y1961-I1977 HydrophobicContact CD2-CD1 4.45Å; Y1961-I1977 HydrophobicContact CE1-CD1 3.63Å; Y1961-I1977 HydrophobicContact CE1-CG1 3.99Å; Y1961-I1977 HydrophobicContact CE1-CG2 4.14Å; Y1961-I1977 HydrophobicContact CE2-CD1 4.13Å; Y1961-I1977 HydrophobicContact CG-CD1 4.38Å; I1962-I1977 HydrophobicContact CD1-CG2 4.43Å; I1962-I1977 HydrophobicContact CG1-CB 4.34Å; I1962-I1977 HydrophobicContact CG1-CG2 3.58Å; N1965-I1977 HydrophobicContact CB-CD1 3.98Å; N1965-I1977 VanDerWaalsContact CG-CD1 3.45Å; N1965-I1977 WeakPolarHBondContact ND2-CD1 3.37Å; E1973-I1977 WeakPolarHBondContact O-CG1 3.21Å; E1973-I1977 PolarHBondContact O-N 3.4Å; A1974-I1977 PolarHBondContact O-N 3.33Å; R1975-I1977 VanDerWaalsContact C-N 3.28Å; R1975-I1977 PolarHBondContact O-N 3.16Å; I1977-R1980 PolarHBondContact O-N 2.83Å; I1977-V1981 PolarHBondContact O-N 2.79Å |
| 1978 | I | 91.8 | Very high | 86.2 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 176.3 | -66.6 | 162.5 | 0 | 0 | 0 | 110.8 | I1962 A1974 R1975 R1980 V1981 I1982 W1998 L2001 | I1962-I1978 HydrophobicContact CD1-CG1 3.74Å; I1962-I1978 HydrophobicContact CG1-CG1 3.95Å; I1962-I1978 HydrophobicContact CG2-CD1 3.9Å; I1962-I1978 HydrophobicContact CG2-CG1 3.89Å; A1974-I1978 WeakPolarHBondContact O-CD1 3.42Å; A1974-I1978 VanDerWaalsContact O-CG1 3.22Å; A1974-I1978 WeakPolarHBondContact O-CG1 3.16Å; A1974-I1978 PolarHBondContact O-N 3.18Å; R1975-I1978 PolarHBondContact O-N 2.67Å; R1975-I1978 VanDerWaalsContact O-N 3.15Å; I1978-R1980 VanDerWaalsContact C-N 3.25Å; I1978-R1980 PolarHBondContact O-N 3.1Å; I1978-V1981 WeakPolarHBondContact O-CG1 3.45Å; I1978-V1981 PolarHBondContact O-N 2.76Å; I1978-V1981 VanDerWaalsContact O-N 3.1Å; I1978-I1982 HydrophobicContact CG2-CG2 4.41Å; I1978-I1982 WeakPolarHBondContact O-CG1 3.38Å; I1978-I1982 PolarHBondContact O-N 2.85Å; I1978-W1998 HydrophobicContact CB-CD2 4.47Å; I1978-W1998 HydrophobicContact CD1-CB 4.36Å; I1978-W1998 HydrophobicContact CD1-CG 4.12Å; I1978-W1998 HydrophobicContact CG2-CB 3.87Å; I1978-W1998 HydrophobicContact CG2-CD2 3.36Å; I1978-W1998 HydrophobicContact CG2-CE3 3.54Å; I1978-W1998 HydrophobicContact CG2-CG 3.55Å; I1978-W1998 HydrophobicContact CG2-CZ2 4.47Å; I1978-W1998 HydrophobicContact CG2-CZ3 4.18Å; I1978-L2001 HydrophobicContact CD1-CD1 3.83Å |
| 1979 | E | 89.5 | Confident | 85.7 | Confident | 70 Ų | 70 | 62 Ų | 62 | 33% | 0.327 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.7 | -37.5 | 177.7 | -71.5 | -153.8 | 142.8 | 0 | 0 | 111.6 | R1975 L1976 I1982 S1983 W1998 K2017 | R1975-E1979 WeakPolarHBondContact O-CB 3.22Å; R1975-E1979 WeakPolarHBondContact O-CG 3.34Å; R1975-E1979 PolarHBondContact O-N 3.04Å; L1976-E1979 PolarHBondContact O-N 3.18Å; E1979-I1982 WeakPolarHBondContact O-CG1 3.24Å; E1979-S1983 PolarHBondContact O-N 2.77Å; E1979-W1998 HydrophobicContact CG-CH2 3.76Å; E1979-W1998 HydrophobicContact CG-CZ2 3.89Å; E1979-K2017 IonicContact OE1-NZ 3.88Å; E1979-K2017 PolarHBondContact OE1-NZ 2.91Å |
| 1980 | R | 92 | Very high | 85.4 | Confident | 93 Ų | 93 | 61.8 Ų | 61.8 | 35% | 0.351 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | 172.4 | -169 | 169.9 | 64.9 | 168.1 | 6.2 | 111.5 | E1945 W1958 L1976 I1977 I1978 I1982 S1983 | E1945-R1980 VanDerWaalsContact CD-NH1 3.33Å; E1945-R1980 IonicContact OE1-CZ 2.86Å; E1945-R1980 IonicContact OE1-NH1 3.86Å; E1945-R1980 PolarHBondContact OE1-NH1 2.75Å; E1945-R1980 IonicContact OE1-NH2 3.18Å; E1945-R1980 PolarHBondContact OE1-NH2 2.99Å; E1945-R1980 IonicContact OE2-CZ 2.96Å; E1945-R1980 IonicContact OE2-NH1 3.03Å; E1945-R1980 PolarHBondContact OE2-NH1 3.29Å; E1945-R1980 IonicContact OE2-NH2 2.87Å; E1945-R1980 PolarHBondContact OE2-NH2 3.25Å; W1958-R1980 HydrophobicContact CH2-CG 4.36Å; L1976-R1980 WeakPolarHBondContact O-CB 3.07Å; L1976-R1980 PolarHBondContact O-N 2.95Å; I1977-R1980 PolarHBondContact O-N 2.83Å; I1978-R1980 VanDerWaalsContact C-N 3.25Å; I1978-R1980 PolarHBondContact O-N 3.1Å; R1980-I1982 PolarHBondContact O-N 3.41Å; R1980-S1983 WeakPolarHBondContact O-CB 3.13Å; R1980-S1983 PolarHBondContact O-N 3.16Å; R1980-S1983 PolarHBondContact O-OG 3.27Å |
| 1981 | V | 90.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.1 | -36.3 | -177.6 | 101 | 0 | 0 | 0 | 0 | 112.5 | W1958 I1977 I1978 S1983 L1984 M1986 F1994 | W1958-V1981 HydrophobicContact CB-CG2 4.04Å; W1958-V1981 HydrophobicContact CD2-CB 4.11Å; W1958-V1981 HydrophobicContact CD2-CG2 3.27Å; W1958-V1981 HydrophobicContact CE3-CB 4Å; W1958-V1981 HydrophobicContact CE3-CG2 3.69Å; W1958-V1981 HydrophobicContact CG-CG2 3.43Å; W1958-V1981 VanDerWaalsContact CG-CG2 3.43Å; W1958-V1981 HydrophobicContact CH2-CG2 4.48Å; W1958-V1981 HydrophobicContact CZ2-CG2 4.15Å; W1958-V1981 HydrophobicContact CZ3-CB 4.33Å; W1958-V1981 HydrophobicContact CZ3-CG2 4.26Å; I1977-V1981 PolarHBondContact O-N 2.79Å; I1978-V1981 WeakPolarHBondContact O-CG1 3.45Å; I1978-V1981 PolarHBondContact O-N 2.76Å; I1978-V1981 VanDerWaalsContact O-N 3.1Å; V1981-S1983 PolarHBondContact O-N 2.87Å; V1981-L1984 HydrophobicContact CG2-CD1 3.99Å; V1981-L1984 WeakPolarHBondContact O-CB 3.34Å; V1981-L1984 PolarHBondContact O-N 2.87Å; V1981-L1984 VanDerWaalsContact O-N 3.11Å; V1981-M1986 HydrophobicContact CG2-SD 4.47Å; V1981-F1994 HydrophobicContact CG1-CB 4.08Å; V1981-F1994 HydrophobicContact CG1-CD1 3.58Å; V1981-F1994 HydrophobicContact CG1-CD2 3.85Å; V1981-F1994 HydrophobicContact CG1-CE1 3.91Å; V1981-F1994 HydrophobicContact CG1-CE2 4.14Å; V1981-F1994 HydrophobicContact CG1-CG 3.56Å; V1981-F1994 HydrophobicContact CG1-CZ 4.17Å; V1981-F1994 HydrophobicContact CG2-CE1 4.23Å; V1981-F1994 HydrophobicContact CG2-CE2 4.06Å; V1981-F1994 HydrophobicContact CG2-CZ 3.89Å |
| 1982 | I | 86.8 | Confident | 85.5 | Confident | 29 Ų | 29 | 68.4 Ų | 68.4 | 15% | 0.149 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -72.3 | -17.8 | 178.6 | 59.9 | 148.6 | 0 | 0 | 0 | 112.9 | I1978 E1979 R1980 L1984 M1991 Y1995 W1998 K2017 | I1978-I1982 HydrophobicContact CG2-CG2 4.41Å; I1978-I1982 WeakPolarHBondContact O-CG1 3.38Å; I1978-I1982 PolarHBondContact O-N 2.85Å; E1979-I1982 WeakPolarHBondContact O-CG1 3.24Å; R1980-I1982 PolarHBondContact O-N 3.41Å; I1982-L1984 VanDerWaalsContact C-N 3.27Å; I1982-M1991 HydrophobicContact CB-CE 3.86Å; I1982-M1991 HydrophobicContact CG2-CE 4.08Å; I1982-M1991 WeakPolarHBondContact O-CE 3.42Å; I1982-Y1995 HydrophobicContact CG2-CE1 4.48Å; I1982-W1998 HydrophobicContact CD1-CH2 3.97Å; I1982-W1998 HydrophobicContact CD1-CZ3 3.48Å; I1982-W1998 VanDerWaalsContact CD1-CZ3 3.48Å; I1982-W1998 HydrophobicContact CG1-CZ3 4.24Å; I1982-W1998 HydrophobicContact CG2-CE3 4.4Å; I1982-W1998 HydrophobicContact CG2-CZ3 4.39Å; I1982-K2017 HydrophobicContact CD1-CD 4.21Å |
| 1983 | S | 84.1 | Confident | 85.6 | Confident | 89 Ų | 89 | 65.3 Ų | 65.3 | 62% | 0.622 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -75.2 | -18.5 | 171.8 | 80.4 | 0 | 0 | 0 | 0 | 112.4 | E1979 R1980 V1981 | E1979-S1983 PolarHBondContact O-N 2.77Å; R1980-S1983 WeakPolarHBondContact O-CB 3.13Å; R1980-S1983 PolarHBondContact O-N 3.16Å; R1980-S1983 PolarHBondContact O-OG 3.27Å; V1981-S1983 PolarHBondContact O-N 2.87Å |
| 1984 | L | 84.2 | Confident | 85.7 | Confident | 51 Ų | 51 | 62.5 Ų | 62.5 | 27% | 0.267 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -74 | 139.1 | 179.4 | -61.2 | 174.1 | 0 | 0 | 0 | 110.8 | W1958 V1981 I1982 M1986 | W1958-L1984 HydrophobicContact CZ2-CD1 3.71Å; V1981-L1984 HydrophobicContact CG2-CD1 3.99Å; V1981-L1984 WeakPolarHBondContact O-CB 3.34Å; V1981-L1984 PolarHBondContact O-N 2.87Å; V1981-L1984 VanDerWaalsContact O-N 3.11Å; I1982-L1984 VanDerWaalsContact C-N 3.27Å; L1984-M1986 HydrophobicContact CB-CG 4.05Å; L1984-M1986 PolarHBondContact O-N 3.36Å |
| 1985 | K | 78.1 | Confident | 85.8 | Confident | 204 Ų | 204 | 63.8 Ų | 63.8 | 89% | 0.887 | 32% | 0.315 | S | S | * | . | trans | -72 | 89.2 | 172.7 | -68.4 | -179.2 | -179 | 173.9 | 0 | 109.9 | ||||
| 1986 | M | 79.8 | Confident | 85.8 | Confident | 26 Ų | 26 | 68.9 Ų | 68.9 | 13% | 0.128 | 34% | 0.339 | C | S | . | . | trans | -112.7 | 161.4 | 174.6 | -55.2 | -168.3 | 78.7 | 0 | 0 | 111.3 | V1981 L1984 K1990 M1991 F1994 | V1981-M1986 HydrophobicContact CG2-SD 4.47Å; L1984-M1986 HydrophobicContact CB-CG 4.05Å; L1984-M1986 PolarHBondContact O-N 3.36Å; M1986-K1990 HydrophobicContact CB-CB 4.37Å; M1986-K1990 HydrophobicContact CE-CB 4.3Å; M1986-K1990 HydrophobicContact CE-CD 3.86Å; M1986-M1991 HydrophobicContact CB-CG 3.98Å; M1986-M1991 HydrophobicContact CB-SD 4Å; M1986-M1991 HydrophobicContact CG-SD 4.48Å; M1986-F1994 HydrophobicContact CE-CE2 4.28Å; M1986-F1994 HydrophobicContact SD-CD2 4.44Å; M1986-F1994 HydrophobicContact SD-CE2 3.76Å | ||
| 1987 | S | 78.1 | Confident | 85.8 | Confident | 61 Ų | 61 | 65.2 Ų | 65.2 | 43% | 0.427 | 32% | 0.317 | S | S | . | . | trans | -65.2 | 151.3 | 176.7 | 63.4 | 0 | 0 | 0 | 0 | 111.5 | H1989 K1990 M1991 | S1987-H1989 PolarHBondContact O-N 3.46Å; S1987-K1990 PolarHBondContact O-N 3.48Å; S1987-K1990 WeakPolarHBondContact OG-CG 3.48Å; S1987-M1991 PolarHBondContact O-N 2.87Å | ||
| 1988 | A | 77 | Confident | 85.9 | Confident | 56 Ų | 56 | 65 Ų | 65 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -55.1 | -38.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | K1990 M1991 R1992 F2021 | A1988-K1990 PolarHBondContact O-N 2.95Å; A1988-M1991 PolarHBondContact O-N 2.94Å; A1988-R1992 WeakPolarHBondContact O-CB 3.47Å; A1988-R1992 PolarHBondContact O-N 3.2Å; A1988-F2021 HydrophobicContact CB-CE1 4.49Å |
| 1989 | H | 75.3 | Confident | 85.8 | Confident | 134 Ų | 134 | 67.6 Ų | 67.6 | 62% | 0.62 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59.6 | -45.5 | 175.6 | -178 | -83.1 | 0 | 0 | 0 | 112.4 | S1987 R1992 S1993 | S1987-H1989 PolarHBondContact O-N 3.46Å; H1989-R1992 PolarHBondContact O-N 3.47Å; H1989-S1993 PolarHBondContact O-N 2.87Å |
| 1990 | K | 80.4 | Confident | 85.8 | Confident | 73 Ų | 73 | 69 Ų | 69 | 32% | 0.317 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69 | -42.6 | 179.4 | -65 | -178.8 | -176.8 | -179 | 0 | 110.9 | Y1955 M1986 S1987 A1988 R1992 S1993 F1994 | Y1955-K1990 HydrophobicContact CD1-CD 4.34Å; Y1955-K1990 HydrophobicContact CG-CD 4.48Å; M1986-K1990 HydrophobicContact CB-CB 4.37Å; M1986-K1990 HydrophobicContact CE-CB 4.3Å; M1986-K1990 HydrophobicContact CE-CD 3.86Å; S1987-K1990 PolarHBondContact O-N 3.48Å; S1987-K1990 WeakPolarHBondContact OG-CG 3.48Å; A1988-K1990 PolarHBondContact O-N 2.95Å; K1990-R1992 VanDerWaalsContact C-N 3.3Å; K1990-R1992 PolarHBondContact O-N 2.99Å; K1990-S1993 VanDerWaalsContact O-CB 3.27Å; K1990-S1993 WeakPolarHBondContact O-CB 3.24Å; K1990-S1993 PolarHBondContact O-N 3.1Å; K1990-S1993 VanDerWaalsContact O-N 3.08Å; K1990-F1994 WeakPolarHBondContact O-CD2 3.27Å; K1990-F1994 PolarHBondContact O-N 3.02Å |
| 1991 | M | 87.7 | Confident | 85.5 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 175.9 | -70.1 | -64.1 | -68.3 | 0 | 0 | 112.3 | I1982 M1986 S1987 A1988 S1993 F1994 Y1995 F2021 | I1982-M1991 HydrophobicContact CB-CE 3.86Å; I1982-M1991 HydrophobicContact CG2-CE 4.08Å; I1982-M1991 WeakPolarHBondContact O-CE 3.42Å; M1986-M1991 HydrophobicContact CB-CG 3.98Å; M1986-M1991 HydrophobicContact CB-SD 4Å; M1986-M1991 HydrophobicContact CG-SD 4.48Å; S1987-M1991 PolarHBondContact O-N 2.87Å; A1988-M1991 PolarHBondContact O-N 2.94Å; M1991-S1993 VanDerWaalsContact C-N 3.25Å; M1991-S1993 PolarHBondContact O-N 3.25Å; M1991-F1994 PolarHBondContact O-N 3.05Å; M1991-F1994 VanDerWaalsContact O-N 3.16Å; M1991-Y1995 HydrophobicContact CE-CE2 3.87Å; M1991-Y1995 VanDerWaalsContact O-CD2 3.26Å; M1991-Y1995 WeakPolarHBondContact O-CD2 3.32Å; M1991-Y1995 PolarHBondContact O-N 2.98Å; M1991-F2021 HydrophobicContact CB-CE1 3.76Å; M1991-F2021 HydrophobicContact CB-CE2 4.46Å; M1991-F2021 HydrophobicContact CB-CZ 3.72Å; M1991-F2021 HydrophobicContact CE-CD2 4.23Å; M1991-F2021 HydrophobicContact CE-CE2 3.94Å; M1991-F2021 HydrophobicContact CE-CZ 4.3Å; M1991-F2021 HydrophobicContact CG-CE1 4.23Å; M1991-F2021 HydrophobicContact CG-CE2 4.13Å; M1991-F2021 HydrophobicContact CG-CZ 3.64Å |
| 1992 | R | 83.4 | Confident | 85.6 | Confident | 198 Ų | 198 | 65.1 Ų | 65.1 | 75% | 0.747 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -59.1 | -37 | 174.7 | -169.1 | 178.2 | -174.9 | 176.8 | 2.3 | 112.1 | A1988 H1989 K1990 K1996 | A1988-R1992 WeakPolarHBondContact O-CB 3.47Å; A1988-R1992 PolarHBondContact O-N 3.2Å; H1989-R1992 PolarHBondContact O-N 3.47Å; K1990-R1992 VanDerWaalsContact C-N 3.3Å; K1990-R1992 PolarHBondContact O-N 2.99Å; R1992-K1996 WeakPolarHBondContact O-CB 3.44Å; R1992-K1996 PolarHBondContact O-N 2.98Å |
| 1993 | S | 87.4 | Confident | 85.5 | Confident | 47 Ų | 47 | 68.4 Ų | 68.4 | 33% | 0.329 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | 174.4 | -167.6 | 0 | 0 | 0 | 0 | 111.7 | H1959 H1989 K1990 M1991 K1996 K1997 | H1959-S1993 PolarHBondContact CE1-OG 2.94Å; H1959-S1993 PolarHBondContact NE2-OG 3.12Å; H1989-S1993 PolarHBondContact O-N 2.87Å; K1990-S1993 VanDerWaalsContact O-CB 3.27Å; K1990-S1993 WeakPolarHBondContact O-CB 3.24Å; K1990-S1993 PolarHBondContact O-N 3.1Å; K1990-S1993 VanDerWaalsContact O-N 3.08Å; M1991-S1993 VanDerWaalsContact C-N 3.25Å; M1991-S1993 PolarHBondContact O-N 3.25Å; S1993-K1996 PolarHBondContact O-N 3.34Å; S1993-K1997 WeakPolarHBondContact O-CB 3.39Å; S1993-K1997 PolarHBondContact O-N 2.92Å |
| 1994 | F | 91.6 | Very high | 85.6 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 0% | 0.004 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 177.7 | -69.5 | -62.7 | 0 | 0 | 0 | 112.9 | W1958 H1959 I1962 V1981 M1986 K1990 M1991 K1996 K1997 W1998 | W1958-F1994 HydrophobicContact CB-CE1 3.64Å; W1958-F1994 HydrophobicContact CB-CZ 3.64Å; W1958-F1994 HydrophobicContact CG-CZ 4.23Å; H1959-F1994 AromaticContact CE1-CD1 3.79Å; H1959-F1994 AromaticContact CE1-CE1 3.89Å; H1959-F1994 AromaticContact NE2-CE1 3.85Å; I1962-F1994 HydrophobicContact CD1-CD1 4.11Å; I1962-F1994 HydrophobicContact CD1-CE1 4.11Å; V1981-F1994 HydrophobicContact CG1-CB 4.08Å; V1981-F1994 HydrophobicContact CG1-CD1 3.58Å; V1981-F1994 HydrophobicContact CG1-CD2 3.85Å; V1981-F1994 HydrophobicContact CG1-CE1 3.91Å; V1981-F1994 HydrophobicContact CG1-CE2 4.14Å; V1981-F1994 HydrophobicContact CG1-CG 3.56Å; V1981-F1994 HydrophobicContact CG1-CZ 4.17Å; V1981-F1994 HydrophobicContact CG2-CE1 4.23Å; V1981-F1994 HydrophobicContact CG2-CE2 4.06Å; V1981-F1994 HydrophobicContact CG2-CZ 3.89Å; M1986-F1994 HydrophobicContact CE-CE2 4.28Å; M1986-F1994 HydrophobicContact SD-CD2 4.44Å; M1986-F1994 HydrophobicContact SD-CE2 3.76Å; K1990-F1994 WeakPolarHBondContact O-CD2 3.27Å; K1990-F1994 PolarHBondContact O-N 3.02Å; M1991-F1994 PolarHBondContact O-N 3.05Å; M1991-F1994 VanDerWaalsContact O-N 3.16Å; F1994-K1996 VanDerWaalsContact C-N 3.33Å; F1994-K1996 PolarHBondContact O-N 3.44Å; F1994-K1997 PolarHBondContact O-N 3.2Å; F1994-W1998 WeakPolarHBondContact O-CB 3.42Å; F1994-W1998 PolarHBondContact O-N 2.79Å |
| 1995 | Y | 92 | Very high | 85.5 | Confident | 27 Ų | 27 | 76.1 Ų | 76.1 | 11% | 0.106 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63 | -39.2 | 174.8 | -80.7 | -65.3 | 0 | 0 | 0 | 112.4 | I1982 M1991 W1998 L1999 V2014 K2017 A2018 F2021 | I1982-Y1995 HydrophobicContact CG2-CE1 4.48Å; M1991-Y1995 HydrophobicContact CE-CE2 3.87Å; M1991-Y1995 VanDerWaalsContact O-CD2 3.26Å; M1991-Y1995 WeakPolarHBondContact O-CD2 3.32Å; M1991-Y1995 PolarHBondContact O-N 2.98Å; Y1995-W1998 HydrophobicContact CD1-CE3 4.3Å; Y1995-W1998 HydrophobicContact CE1-CE3 4.32Å; Y1995-W1998 HydrophobicContact CE1-CZ3 4.37Å; Y1995-W1998 PolarHBondContact O-N 3.34Å; Y1995-L1999 VanDerWaalsContact O-CB 3.29Å; Y1995-L1999 WeakPolarHBondContact O-CB 3.33Å; Y1995-L1999 PolarHBondContact O-N 2.96Å; Y1995-V2014 HydrophobicContact CD1-CG1 4.37Å; Y1995-K2017 HydrophobicContact CE1-CB 4Å; Y1995-A2018 HydrophobicContact CD1-CB 3.65Å; Y1995-A2018 HydrophobicContact CD2-CB 4.39Å; Y1995-A2018 HydrophobicContact CE1-CB 3.99Å; Y1995-A2018 HydrophobicContact CG-CB 3.88Å; Y1995-F2021 HydrophobicContact CE2-CB 3.94Å; Y1995-F2021 HydrophobicContact CE2-CD1 4.02Å; Y1995-F2021 HydrophobicContact CE2-CD2 4.47Å; Y1995-F2021 AromaticContact CE2-CG 3.88Å; Y1995-F2021 HydrophobicContact CE2-CG 3.88Å |
| 1996 | K | 89.9 | Confident | 85.7 | Confident | 159 Ų | 159 | 67.7 Ų | 67.7 | 69% | 0.691 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.7 | -44.4 | 175.2 | -171.7 | -178.7 | 178.5 | -173.1 | 0 | 111.1 | R1992 S1993 F1994 L1999 E2000 | R1992-K1996 WeakPolarHBondContact O-CB 3.44Å; R1992-K1996 PolarHBondContact O-N 2.98Å; S1993-K1996 PolarHBondContact O-N 3.34Å; F1994-K1996 VanDerWaalsContact C-N 3.33Å; F1994-K1996 PolarHBondContact O-N 3.44Å; K1996-L1999 PolarHBondContact O-N 2.85Å; K1996-E2000 PolarHBondContact O-N 2.8Å |
| 1997 | K | 90.7 | Very high | 85.7 | Confident | 38 Ų | 38 | 68.2 Ų | 68.2 | 17% | 0.165 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66 | -41.9 | 177.8 | -172.9 | 68.1 | -177.9 | -166.8 | 0 | 112.2 | D1963 S1993 F1994 E2000 L2001 | D1963-K1997 WeakPolarHBondContact OD1-CE 3.34Å; D1963-K1997 IonicContact OD1-NZ 3.16Å; D1963-K1997 PolarHBondContact OD1-NZ 2.9Å; D1963-K1997 IonicContact OD2-NZ 3.87Å; D1963-K1997 PolarHBondContact OD2-NZ 3.2Å; S1993-K1997 WeakPolarHBondContact O-CB 3.39Å; S1993-K1997 PolarHBondContact O-N 2.92Å; F1994-K1997 PolarHBondContact O-N 3.2Å; K1997-E2000 WeakPolarHBondContact O-CB 3.35Å; K1997-E2000 PolarHBondContact O-N 3.21Å; K1997-L2001 HydrophobicContact CG-CD1 4.3Å; K1997-L2001 WeakPolarHBondContact O-CG 3.44Å; K1997-L2001 PolarHBondContact O-N 3.1Å |
| 1998 | W | 92.4 | Very high | 85.8 | Confident | 6 Ų | 6 | 71.4 Ų | 71.4 | 2% | 0.023 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 176.1 | -166.9 | 6.1 | 0 | 0 | 0 | 111.1 | I1978 E1979 I1982 F1994 Y1995 E2000 L2001 E2002 V2014 K2017 | I1978-W1998 HydrophobicContact CB-CD2 4.47Å; I1978-W1998 HydrophobicContact CD1-CB 4.36Å; I1978-W1998 HydrophobicContact CD1-CG 4.12Å; I1978-W1998 HydrophobicContact CG2-CB 3.87Å; I1978-W1998 HydrophobicContact CG2-CD2 3.36Å; I1978-W1998 HydrophobicContact CG2-CE3 3.54Å; I1978-W1998 HydrophobicContact CG2-CG 3.55Å; I1978-W1998 HydrophobicContact CG2-CZ2 4.47Å; I1978-W1998 HydrophobicContact CG2-CZ3 4.18Å; E1979-W1998 HydrophobicContact CG-CH2 3.76Å; E1979-W1998 HydrophobicContact CG-CZ2 3.89Å; I1982-W1998 HydrophobicContact CD1-CH2 3.97Å; I1982-W1998 HydrophobicContact CD1-CZ3 3.48Å; I1982-W1998 VanDerWaalsContact CD1-CZ3 3.48Å; I1982-W1998 HydrophobicContact CG1-CZ3 4.24Å; I1982-W1998 HydrophobicContact CG2-CE3 4.4Å; I1982-W1998 HydrophobicContact CG2-CZ3 4.39Å; F1994-W1998 WeakPolarHBondContact O-CB 3.42Å; F1994-W1998 PolarHBondContact O-N 2.79Å; Y1995-W1998 HydrophobicContact CD1-CE3 4.3Å; Y1995-W1998 HydrophobicContact CE1-CE3 4.32Å; Y1995-W1998 HydrophobicContact CE1-CZ3 4.37Å; Y1995-W1998 PolarHBondContact O-N 3.34Å; W1998-E2000 VanDerWaalsContact C-N 3.31Å; W1998-E2000 PolarHBondContact O-N 3.12Å; W1998-L2001 PolarHBondContact O-N 3.21Å; W1998-E2002 PolarHBondContact NE1-OE1 3.16Å; W1998-E2002 WeakPolarHBondContact O-CG 3.16Å; W1998-E2002 PolarHBondContact O-N 2.86Å; W1998-V2014 HydrophobicContact CB-CG1 4.19Å; W1998-V2014 HydrophobicContact CD2-CB 4.46Å; W1998-V2014 HydrophobicContact CD2-CG1 4.13Å; W1998-V2014 HydrophobicContact CD2-CG2 3.51Å; W1998-V2014 HydrophobicContact CE3-CG1 4.2Å; W1998-V2014 HydrophobicContact CE3-CG2 4.07Å; W1998-V2014 HydrophobicContact CG-CG1 4.11Å; W1998-V2014 HydrophobicContact CG-CG2 3.72Å; W1998-V2014 HydrophobicContact CZ2-CG2 4.1Å; W1998-K2017 HydrophobicContact CH2-CD 3.74Å; W1998-K2017 HydrophobicContact CZ3-CD 3.89Å |
| 1999 | L | 90.7 | Very high | 86 | Confident | 56 Ų | 56 | 73.1 Ų | 73.1 | 29% | 0.293 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 175.7 | -171.9 | 70.1 | 0 | 0 | 0 | 111.7 | Y1995 K1996 T2003 V2011 V2014 K2015 | Y1995-L1999 VanDerWaalsContact O-CB 3.29Å; Y1995-L1999 WeakPolarHBondContact O-CB 3.33Å; Y1995-L1999 PolarHBondContact O-N 2.96Å; K1996-L1999 PolarHBondContact O-N 2.85Å; L1999-T2003 VanDerWaalsContact O-CB 3.23Å; L1999-T2003 WeakPolarHBondContact O-CB 3.36Å; L1999-T2003 PolarHBondContact O-N 2.79Å; L1999-T2003 PolarHBondContact O-OG1 2.78Å; L1999-V2011 HydrophobicContact CD1-CG1 3.8Å; L1999-V2014 HydrophobicContact CB-CG1 4.19Å; L1999-V2014 HydrophobicContact CD1-CB 4.5Å; L1999-V2014 HydrophobicContact CD1-CG1 4.3Å; L1999-K2015 HydrophobicContact CD1-CG 4.1Å |
| 2000 | E | 89 | Confident | 86.6 | Confident | 99 Ų | 99 | 68.8 Ų | 68.8 | 46% | 0.463 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 175.6 | -171.5 | -175.2 | 164.3 | 0 | 0 | 111.8 | K1996 K1997 W1998 T2003 R2004 | K1996-E2000 PolarHBondContact O-N 2.8Å; K1997-E2000 WeakPolarHBondContact O-CB 3.35Å; K1997-E2000 PolarHBondContact O-N 3.21Å; W1998-E2000 VanDerWaalsContact C-N 3.31Å; W1998-E2000 PolarHBondContact O-N 3.12Å; E2000-T2003 PolarHBondContact O-N 3.47Å; E2000-R2004 WeakPolarHBondContact O-CB 3.24Å; E2000-R2004 PolarHBondContact O-N 2.57Å; E2000-R2004 VanDerWaalsContact O-N 3.15Å |
| 2001 | L | 86.8 | Confident | 86.9 | Confident | 10 Ų | 10 | 66.4 Ų | 66.4 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.2 | -45.1 | 178.6 | -72.1 | 170.2 | 0 | 0 | 0 | 112.4 | I1962 A1966 M1971 I1978 K1997 W1998 T2003 R2004 Y2005 | I1962-L2001 HydrophobicContact CG2-CD1 3.58Å; A1966-L2001 HydrophobicContact CB-CD2 4.15Å; M1971-L2001 HydrophobicContact CE-CB 3.72Å; M1971-L2001 HydrophobicContact CE-CD1 4.24Å; M1971-L2001 HydrophobicContact CE-CG 4.43Å; M1971-L2001 HydrophobicContact SD-CB 4.41Å; I1978-L2001 HydrophobicContact CD1-CD1 3.83Å; K1997-L2001 HydrophobicContact CG-CD1 4.3Å; K1997-L2001 WeakPolarHBondContact O-CG 3.44Å; K1997-L2001 PolarHBondContact O-N 3.1Å; W1998-L2001 PolarHBondContact O-N 3.21Å; L2001-T2003 VanDerWaalsContact C-N 3.32Å; L2001-T2003 PolarHBondContact O-N 3.26Å; L2001-R2004 PolarHBondContact O-N 2.94Å; L2001-R2004 VanDerWaalsContact O-N 3.1Å; L2001-Y2005 HydrophobicContact CD2-CD2 4.06Å; L2001-Y2005 HydrophobicContact CD2-CE2 3.89Å; L2001-Y2005 PolarHBondContact O-N 3.41Å |
| 2002 | E | 91.2 | Very high | 86.7 | Confident | 3 Ų | 3 | 71.9 Ų | 71.9 | 1% | 0.014 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.7 | -30.9 | 176.3 | -62.8 | -57 | 164.8 | 0 | 0 | 112 | R1975 W1998 R2004 G2006 D2010 V2011 V2014 | R1975-E2002 WeakPolarHBondContact CD-OE1 3.24Å; R1975-E2002 VanDerWaalsContact CG-OE1 3.31Å; R1975-E2002 WeakPolarHBondContact CG-OE1 3.44Å; R1975-E2002 IonicContact CZ-OE1 3.1Å; R1975-E2002 IonicContact CZ-OE2 2.69Å; R1975-E2002 IonicContact NE-OE1 3.85Å; R1975-E2002 PolarHBondContact NE-OE1 2.82Å; R1975-E2002 IonicContact NE-OE2 2.96Å; R1975-E2002 PolarHBondContact NE-OE2 3.36Å; R1975-E2002 IonicContact NH2-OE2 2.67Å; R1975-E2002 PolarHBondContact NH2-OE2 3.49Å; W1998-E2002 PolarHBondContact NE1-OE1 3.16Å; W1998-E2002 WeakPolarHBondContact O-CG 3.16Å; W1998-E2002 PolarHBondContact O-N 2.86Å; E2002-R2004 PolarHBondContact O-N 2.93Å; E2002-G2006 CarbonylContact O-C 3.59Å; E2002-G2006 WeakPolarHBondContact O-CA 3.34Å; E2002-G2006 PolarHBondContact O-N 2.84Å; E2002-G2006 WeakPolarHBondContact OE2-CA 3.49Å; E2002-D2010 HydrophobicContact CB-CB 4.32Å; E2002-D2010 HydrophobicContact CG-CB 4.15Å; E2002-D2010 WeakPolarHBondContact OE2-CB 3.46Å; E2002-V2011 HydrophobicContact CB-CG2 3.87Å; E2002-V2014 HydrophobicContact CG-CG2 3.85Å |
| 2003 | T | 86.6 | Confident | 86.9 | Confident | 98 Ų | 98 | 67.5 Ų | 67.5 | 60% | 0.601 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66.2 | -27 | 173.1 | -57 | 0 | 0 | 0 | 0 | 111.6 | L1999 E2000 L2001 | L1999-T2003 VanDerWaalsContact O-CB 3.23Å; L1999-T2003 WeakPolarHBondContact O-CB 3.36Å; L1999-T2003 PolarHBondContact O-N 2.79Å; L1999-T2003 PolarHBondContact O-OG1 2.78Å; E2000-T2003 PolarHBondContact O-N 3.47Å; L2001-T2003 VanDerWaalsContact C-N 3.32Å; L2001-T2003 PolarHBondContact O-N 3.26Å |
| 2004 | R | 85.4 | Confident | 87 | Confident | 177 Ų | 177 | 65.4 Ų | 65.4 | 67% | 0.668 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -94.4 | -37.1 | -175.7 | -154 | 174 | -166.6 | 168.6 | 0.9 | 113.2 | E2000 L2001 E2002 | E2000-R2004 WeakPolarHBondContact O-CB 3.24Å; E2000-R2004 PolarHBondContact O-N 2.57Å; E2000-R2004 VanDerWaalsContact O-N 3.15Å; L2001-R2004 PolarHBondContact O-N 2.94Å; L2001-R2004 VanDerWaalsContact O-N 3.1Å; E2002-R2004 PolarHBondContact O-N 2.93Å |
| 2005 | Y | 82.6 | Confident | 86.8 | Confident | 124 Ų | 124 | 68.7 Ų | 68.7 | 49% | 0.486 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -127.6 | -10.2 | -172.8 | -54.4 | -69.3 | 0 | 0 | 0 | 114.4 | M1971 L2001 | M1971-Y2005 HydrophobicContact SD-CD2 3.78Å; M1971-Y2005 HydrophobicContact SD-CG 4.19Å; L2001-Y2005 HydrophobicContact CD2-CD2 4.06Å; L2001-Y2005 HydrophobicContact CD2-CE2 3.89Å; L2001-Y2005 PolarHBondContact O-N 3.41Å |
| 2006 | G | 81.5 | Confident | 86.4 | Confident | 27 Ų | 27 | 73.3 Ų | 73.3 | 28% | 0.278 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -97.4 | 174.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E2002 | E2002-G2006 CarbonylContact O-C 3.59Å; E2002-G2006 WeakPolarHBondContact O-CA 3.34Å; E2002-G2006 PolarHBondContact O-N 2.84Å; E2002-G2006 WeakPolarHBondContact OE2-CA 3.49Å |
| 2007 | S | 79.4 | Confident | 86.2 | Confident | 38 Ų | 38 | 68.7 Ų | 68.7 | 27% | 0.266 | 33% | 0.332 | S | S | . | . | trans | -82.9 | 167.6 | 172.9 | 72.2 | 0 | 0 | 0 | 0 | 111.7 | E1629 N2009 D2010 V2011 | E1629-S2007 WeakPolarHBondContact OE2-CB 3.5Å; E1629-S2007 PolarHBondContact OE2-OG 3.22Å; S2007-N2009 VanDerWaalsContact C-N 3.27Å; S2007-N2009 PolarHBondContact O-N 3.28Å; S2007-D2010 WeakPolarHBondContact CB-OD2 3.3Å; S2007-D2010 PolarHBondContact N-OD2 3.05Å; S2007-D2010 PolarHBondContact O-N 3.44Å; S2007-D2010 PolarHBondContact OG-N 3.31Å; S2007-D2010 VanDerWaalsContact OG-N 3.15Å; S2007-D2010 PolarHBondContact OG-OD2 2.64Å; S2007-V2011 PolarHBondContact O-N 2.93Å; S2007-V2011 VanDerWaalsContact O-N 3.13Å | ||
| 2008 | K | 80.7 | Confident | 85.9 | Confident | 128 Ų | 128 | 68.1 Ų | 68.1 | 56% | 0.557 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.4 | -38.2 | 175.5 | -77.5 | -177.5 | -175.2 | 167.9 | 0 | 110.9 | D2010 V2011 E2012 | K2008-D2010 VanDerWaalsContact C-N 3.3Å; K2008-D2010 PolarHBondContact O-N 2.95Å; K2008-V2011 PolarHBondContact O-N 3.17Å; K2008-E2012 PolarHBondContact O-N 3.03Å |
| 2009 | N | 81.6 | Confident | 85.4 | Confident | 91 Ų | 91 | 70 Ų | 70 | 49% | 0.487 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 175.1 | -73.2 | -20.7 | 0 | 0 | 0 | 111.9 | E1629 S2007 E2012 K2013 | E1629-N2009 VanDerWaalsContact CD-CG 3.47Å; E1629-N2009 WeakPolarHBondContact OE2-CB 3.43Å; E1629-N2009 PolarHBondContact OE2-N 3.29Å; E1629-N2009 PolarHBondContact OE2-ND2 3.37Å; E1629-N2009 VanDerWaalsContact OE2-ND2 3.15Å; S2007-N2009 VanDerWaalsContact C-N 3.27Å; S2007-N2009 PolarHBondContact O-N 3.28Å; N2009-E2012 PolarHBondContact O-N 3.31Å; N2009-K2013 VanDerWaalsContact O-CB 3.31Å; N2009-K2013 WeakPolarHBondContact O-CB 3.48Å; N2009-K2013 PolarHBondContact O-N 3.29Å |
| 2010 | D | 86.7 | Confident | 84.8 | Confident | 43 Ų | 43 | 73.1 Ų | 73.1 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 175.5 | -62.5 | -44.7 | 0 | 0 | 0 | 111.4 | R1975 E2002 S2007 K2008 E2012 K2013 V2014 | R1975-D2010 IonicContact NH2-OD2 3.29Å; E2002-D2010 HydrophobicContact CB-CB 4.32Å; E2002-D2010 HydrophobicContact CG-CB 4.15Å; E2002-D2010 WeakPolarHBondContact OE2-CB 3.46Å; S2007-D2010 WeakPolarHBondContact CB-OD2 3.3Å; S2007-D2010 PolarHBondContact N-OD2 3.05Å; S2007-D2010 PolarHBondContact O-N 3.44Å; S2007-D2010 PolarHBondContact OG-N 3.31Å; S2007-D2010 VanDerWaalsContact OG-N 3.15Å; S2007-D2010 PolarHBondContact OG-OD2 2.64Å; K2008-D2010 VanDerWaalsContact C-N 3.3Å; K2008-D2010 PolarHBondContact O-N 2.95Å; D2010-E2012 VanDerWaalsContact C-N 3.3Å; D2010-E2012 PolarHBondContact O-N 3.23Å; D2010-K2013 WeakPolarHBondContact O-CB 3.27Å; D2010-K2013 PolarHBondContact O-N 3.14Å; D2010-V2014 WeakPolarHBondContact O-CG2 3.34Å; D2010-V2014 PolarHBondContact O-N 3Å |
| 2011 | V | 86.9 | Confident | 84.3 | Confident | 23 Ų | 23 | 71.2 Ų | 71.2 | 14% | 0.139 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.3 | -41.9 | 176.3 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | L1999 E2002 S2007 K2008 K2015 | L1999-V2011 HydrophobicContact CD1-CG1 3.8Å; E2002-V2011 HydrophobicContact CB-CG2 3.87Å; S2007-V2011 PolarHBondContact O-N 2.93Å; S2007-V2011 VanDerWaalsContact O-N 3.13Å; K2008-V2011 PolarHBondContact O-N 3.17Å; V2011-K2015 WeakPolarHBondContact O-CG 3.48Å; V2011-K2015 PolarHBondContact O-N 2.9Å; V2011-K2015 VanDerWaalsContact O-N 3.16Å |
| 2012 | E | 85.3 | Confident | 83.8 | Confident | 117 Ų | 117 | 75 Ų | 75 | 55% | 0.547 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.4 | -41.2 | 175.7 | -72.7 | -163.7 | 162.1 | 0 | 0 | 112.7 | K2008 N2009 D2010 V2014 K2015 L2016 | K2008-E2012 PolarHBondContact O-N 3.03Å; N2009-E2012 PolarHBondContact O-N 3.31Å; D2010-E2012 VanDerWaalsContact C-N 3.3Å; D2010-E2012 PolarHBondContact O-N 3.23Å; E2012-V2014 VanDerWaalsContact C-N 3.26Å; E2012-V2014 PolarHBondContact O-N 2.96Å; E2012-K2015 WeakPolarHBondContact O-CB 3.48Å; E2012-K2015 PolarHBondContact O-N 2.76Å; E2012-K2015 VanDerWaalsContact O-N 3.1Å; E2012-L2016 WeakPolarHBondContact O-CG 3.5Å; E2012-L2016 PolarHBondContact O-N 3.42Å |
| 2013 | K | 86.5 | Confident | 82.9 | Confident | 105 Ų | 105 | 79.5 Ų | 79.5 | 46% | 0.457 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.8 | -41 | 174.7 | -172.1 | -179.7 | -178.5 | -176.1 | 0 | 111.4 | N2009 D2010 L2016 K2017 | N2009-K2013 VanDerWaalsContact O-CB 3.31Å; N2009-K2013 WeakPolarHBondContact O-CB 3.48Å; N2009-K2013 PolarHBondContact O-N 3.29Å; D2010-K2013 WeakPolarHBondContact O-CB 3.27Å; D2010-K2013 PolarHBondContact O-N 3.14Å; K2013-L2016 PolarHBondContact O-N 2.85Å; K2013-K2017 WeakPolarHBondContact O-CB 3.32Å; K2013-K2017 WeakPolarHBondContact O-CG 3.43Å; K2013-K2017 PolarHBondContact O-N 2.89Å |
| 2014 | V | 88.9 | Confident | 81.8 | Confident | 3 Ų | 3 | 80.3 Ų | 80.3 | 2% | 0.018 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 175.3 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | Y1995 W1998 L1999 E2002 D2010 E2012 L2016 K2017 A2018 | Y1995-V2014 HydrophobicContact CD1-CG1 4.37Å; W1998-V2014 HydrophobicContact CB-CG1 4.19Å; W1998-V2014 HydrophobicContact CD2-CB 4.46Å; W1998-V2014 HydrophobicContact CD2-CG1 4.13Å; W1998-V2014 HydrophobicContact CD2-CG2 3.51Å; W1998-V2014 HydrophobicContact CE3-CG1 4.2Å; W1998-V2014 HydrophobicContact CE3-CG2 4.07Å; W1998-V2014 HydrophobicContact CG-CG1 4.11Å; W1998-V2014 HydrophobicContact CG-CG2 3.72Å; W1998-V2014 HydrophobicContact CZ2-CG2 4.1Å; L1999-V2014 HydrophobicContact CB-CG1 4.19Å; L1999-V2014 HydrophobicContact CD1-CB 4.5Å; L1999-V2014 HydrophobicContact CD1-CG1 4.3Å; E2002-V2014 HydrophobicContact CG-CG2 3.85Å; D2010-V2014 WeakPolarHBondContact O-CG2 3.34Å; D2010-V2014 PolarHBondContact O-N 3Å; E2012-V2014 VanDerWaalsContact C-N 3.26Å; E2012-V2014 PolarHBondContact O-N 2.96Å; V2014-L2016 VanDerWaalsContact C-N 3.34Å; V2014-L2016 PolarHBondContact O-N 3.04Å; V2014-K2017 PolarHBondContact O-N 3.22Å; V2014-A2018 WeakPolarHBondContact O-CB 3.42Å; V2014-A2018 PolarHBondContact O-N 2.79Å |
| 2015 | K | 87.6 | Confident | 80.6 | Confident | 70 Ų | 70 | 73.2 Ų | 73.2 | 30% | 0.304 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 176.5 | -70.8 | 176.7 | -173.2 | 176.5 | 0 | 111.9 | N1528 L1999 V2011 E2012 A2018 A2019 | N1528-K2015 VanDerWaalsContact CG-NZ 3.28Å; N1528-K2015 PolarHBondContact ND2-NZ 2.87Å; N1528-K2015 PolarHBondContact OD1-NZ 2.87Å; L1999-K2015 HydrophobicContact CD1-CG 4.1Å; V2011-K2015 WeakPolarHBondContact O-CG 3.48Å; V2011-K2015 PolarHBondContact O-N 2.9Å; V2011-K2015 VanDerWaalsContact O-N 3.16Å; E2012-K2015 WeakPolarHBondContact O-CB 3.48Å; E2012-K2015 PolarHBondContact O-N 2.76Å; E2012-K2015 VanDerWaalsContact O-N 3.1Å; K2015-A2018 PolarHBondContact O-N 2.94Å; K2015-A2019 WeakPolarHBondContact O-CB 3.48Å; K2015-A2019 PolarHBondContact O-N 3.07Å |
| 2016 | L | 83.7 | Confident | 79.1 | Confident | 124 Ų | 124 | 70.1 Ų | 70.1 | 65% | 0.649 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.2 | -47.5 | 177.1 | -75.1 | 169.7 | 0 | 0 | 0 | 111.5 | E2012 K2013 V2014 A2018 A2019 H2020 | E2012-L2016 WeakPolarHBondContact O-CG 3.5Å; E2012-L2016 PolarHBondContact O-N 3.42Å; K2013-L2016 PolarHBondContact O-N 2.85Å; V2014-L2016 VanDerWaalsContact C-N 3.34Å; V2014-L2016 PolarHBondContact O-N 3.04Å; L2016-A2018 VanDerWaalsContact C-N 3.33Å; L2016-A2018 PolarHBondContact O-N 2.89Å; L2016-A2019 PolarHBondContact O-N 2.84Å; L2016-H2020 WeakPolarHBondContact O-CB 3.27Å; L2016-H2020 PolarHBondContact O-N 3.31Å |
| 2017 | K | 85.5 | Confident | 77.1 | Confident | 62 Ų | 62 | 73.6 Ų | 73.6 | 27% | 0.27 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 174.9 | -77.2 | -173.9 | 174.9 | -172.5 | 0 | 111.6 | E1979 I1982 Y1995 W1998 K2013 V2014 H2020 F2021 | E1979-K2017 IonicContact OE1-NZ 3.88Å; E1979-K2017 PolarHBondContact OE1-NZ 2.91Å; I1982-K2017 HydrophobicContact CD1-CD 4.21Å; Y1995-K2017 HydrophobicContact CE1-CB 4Å; W1998-K2017 HydrophobicContact CH2-CD 3.74Å; W1998-K2017 HydrophobicContact CZ3-CD 3.89Å; K2013-K2017 WeakPolarHBondContact O-CB 3.32Å; K2013-K2017 WeakPolarHBondContact O-CG 3.43Å; K2013-K2017 PolarHBondContact O-N 2.89Å; V2014-K2017 PolarHBondContact O-N 3.22Å; K2017-H2020 PolarHBondContact O-N 3.25Å; K2017-F2021 WeakPolarHBondContact O-CB 3.43Å; K2017-F2021 PolarHBondContact O-N 2.83Å |
| 2018 | A | 84.8 | Confident | 75.6 | Confident | 26 Ų | 26 | 73.9 Ų | 73.9 | 22% | 0.215 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1995 V2014 K2015 L2016 F2021 V2022 | Y1995-A2018 HydrophobicContact CD1-CB 3.65Å; Y1995-A2018 HydrophobicContact CD2-CB 4.39Å; Y1995-A2018 HydrophobicContact CE1-CB 3.99Å; Y1995-A2018 HydrophobicContact CG-CB 3.88Å; V2014-A2018 WeakPolarHBondContact O-CB 3.42Å; V2014-A2018 PolarHBondContact O-N 2.79Å; K2015-A2018 PolarHBondContact O-N 2.94Å; L2016-A2018 VanDerWaalsContact C-N 3.33Å; L2016-A2018 PolarHBondContact O-N 2.89Å; A2018-F2021 PolarHBondContact O-N 2.92Å; A2018-V2022 WeakPolarHBondContact O-CG2 3.32Å; A2018-V2022 PolarHBondContact O-N 3.42Å |
| 2019 | A | 81.2 | Confident | 73.6 | Confident | 47 Ų | 47 | 74.5 Ų | 74.5 | 39% | 0.388 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | K2015 L2016 F2021 V2022 N2023 | K2015-A2019 WeakPolarHBondContact O-CB 3.48Å; K2015-A2019 PolarHBondContact O-N 3.07Å; L2016-A2019 PolarHBondContact O-N 2.84Å; A2019-F2021 VanDerWaalsContact C-N 3.33Å; A2019-F2021 PolarHBondContact O-N 2.97Å; A2019-V2022 PolarHBondContact O-N 2.96Å; A2019-N2023 WeakPolarHBondContact O-CB 3.41Å; A2019-N2023 VanDerWaalsContact O-CG 3.29Å; A2019-N2023 PolarHBondContact O-N 2.96Å |
| 2020 | H | 78.6 | Confident | 71.2 | Confident | 120 Ų | 120 | 80.2 Ų | 80.2 | 56% | 0.556 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.3 | -42.3 | 175.3 | -170.3 | -92.2 | 0 | 0 | 0 | 111.7 | L2016 K2017 N2023 H2024 | L2016-H2020 WeakPolarHBondContact O-CB 3.27Å; L2016-H2020 PolarHBondContact O-N 3.31Å; K2017-H2020 PolarHBondContact O-N 3.25Å; H2020-N2023 PolarHBondContact O-N 2.86Å; H2020-H2024 AromaticContact CE1-CD2 3.16Å; H2020-H2024 PolarHBondContact CE1-CD2 3.2Å; H2020-H2024 AromaticContact CE1-NE2 3.41Å; H2020-H2024 PolarHBondContact CE1-NE2 3.06Å; H2020-H2024 AromaticContact ND1-CD2 3.64Å; H2020-H2024 AromaticContact NE2-CD2 3.59Å; H2020-H2024 AromaticContact NE2-NE2 3.67Å; H2020-H2024 WeakPolarHBondContact O-CB 3.27Å; H2020-H2024 PolarHBondContact O-N 3.41Å |
| 2021 | F | 79.3 | Confident | 68.9 | Low | 59 Ų | 59 | 86.7 Ų | 86.7 | 26% | 0.259 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 175 | 179.4 | -94.8 | 0 | 0 | 0 | 112.3 | A1988 M1991 Y1995 K2017 A2018 A2019 H2024 A2025 | A1988-F2021 HydrophobicContact CB-CE1 4.49Å; M1991-F2021 HydrophobicContact CB-CE1 3.76Å; M1991-F2021 HydrophobicContact CB-CE2 4.46Å; M1991-F2021 HydrophobicContact CB-CZ 3.72Å; M1991-F2021 HydrophobicContact CE-CD2 4.23Å; M1991-F2021 HydrophobicContact CE-CE2 3.94Å; M1991-F2021 HydrophobicContact CE-CZ 4.3Å; M1991-F2021 HydrophobicContact CG-CE1 4.23Å; M1991-F2021 HydrophobicContact CG-CE2 4.13Å; M1991-F2021 HydrophobicContact CG-CZ 3.64Å; Y1995-F2021 HydrophobicContact CE2-CB 3.94Å; Y1995-F2021 HydrophobicContact CE2-CD1 4.02Å; Y1995-F2021 HydrophobicContact CE2-CD2 4.47Å; Y1995-F2021 AromaticContact CE2-CG 3.88Å; Y1995-F2021 HydrophobicContact CE2-CG 3.88Å; K2017-F2021 WeakPolarHBondContact O-CB 3.43Å; K2017-F2021 PolarHBondContact O-N 2.83Å; A2018-F2021 PolarHBondContact O-N 2.92Å; A2019-F2021 VanDerWaalsContact C-N 3.33Å; A2019-F2021 PolarHBondContact O-N 2.97Å; F2021-H2024 PolarHBondContact O-N 3.02Å; F2021-A2025 VanDerWaalsContact O-CB 3.27Å; F2021-A2025 WeakPolarHBondContact O-CB 3.38Å; F2021-A2025 PolarHBondContact O-N 3.11Å |
| 2022 | V | 75.9 | Confident | 66.4 | Low | 90 Ų | 90 | 95.8 Ų | 95.8 | 55% | 0.545 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 177.1 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | A2018 A2019 A2025 S2026 | A2018-V2022 WeakPolarHBondContact O-CG2 3.32Å; A2018-V2022 PolarHBondContact O-N 3.42Å; A2019-V2022 PolarHBondContact O-N 2.96Å; V2022-A2025 PolarHBondContact O-N 3.41Å; V2022-S2026 WeakPolarHBondContact O-CB 3.24Å; V2022-S2026 PolarHBondContact O-N 2.87Å; V2022-S2026 PolarHBondContact O-OG 2.84Å |
| 2023 | N | 71.4 | Confident | 63.5 | Low | 97 Ų | 97 | 93.6 Ų | 93.6 | 52% | 0.519 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 177.9 | -71.8 | -15.3 | 0 | 0 | 0 | 111.2 | A2019 H2020 A2025 S2026 L2027 | A2019-N2023 WeakPolarHBondContact O-CB 3.41Å; A2019-N2023 VanDerWaalsContact O-CG 3.29Å; A2019-N2023 PolarHBondContact O-N 2.96Å; H2020-N2023 PolarHBondContact O-N 2.86Å; N2023-A2025 PolarHBondContact O-N 2.88Å; N2023-S2026 PolarHBondContact O-N 2.79Å; N2023-S2026 PolarHBondContact O-OG 3.1Å; N2023-L2027 WeakPolarHBondContact O-CB 3.48Å; N2023-L2027 PolarHBondContact O-N 2.82Å |
| 2024 | H | 64.5 | Low | 60.9 | Low | 115 Ų | 115 | 98.1 Ų | 98.1 | 53% | 0.532 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65 | -37.7 | 174.9 | -100.1 | -83.8 | 0 | 0 | 0 | 113.2 | H2020 F2021 S2026 A2028 | H2020-H2024 AromaticContact CE1-CD2 3.16Å; H2020-H2024 PolarHBondContact CE1-CD2 3.2Å; H2020-H2024 AromaticContact CE1-NE2 3.41Å; H2020-H2024 PolarHBondContact CE1-NE2 3.06Å; H2020-H2024 AromaticContact ND1-CD2 3.64Å; H2020-H2024 AromaticContact NE2-CD2 3.59Å; H2020-H2024 AromaticContact NE2-NE2 3.67Å; H2020-H2024 WeakPolarHBondContact O-CB 3.27Å; H2020-H2024 PolarHBondContact O-N 3.41Å; F2021-H2024 PolarHBondContact O-N 3.02Å; H2024-S2026 VanDerWaalsContact C-N 3.35Å; H2024-A2028 WeakPolarHBondContact O-CB 3.36Å; H2024-A2028 PolarHBondContact O-N 2.95Å |
| 2025 | A | 60.3 | Low | 59.5 | Low | 29 Ų | 29 | 102.9 Ų | 102.9 | 24% | 0.24 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | F2021 V2022 N2023 A2028 E2029 | F2021-A2025 VanDerWaalsContact O-CB 3.27Å; F2021-A2025 WeakPolarHBondContact O-CB 3.38Å; F2021-A2025 PolarHBondContact O-N 3.11Å; V2022-A2025 PolarHBondContact O-N 3.41Å; N2023-A2025 PolarHBondContact O-N 2.88Å; A2025-A2028 PolarHBondContact O-N 2.75Å; A2025-E2029 WeakPolarHBondContact O-CB 3.4Å; A2025-E2029 WeakPolarHBondContact O-CG 3.39Å; A2025-E2029 PolarHBondContact O-N 2.76Å |
| 2026 | S | 50.6 | Low | 58 | Low | 59 Ų | 59 | 104.6 Ų | 104.6 | 41% | 0.413 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 177.9 | 71.1 | 0 | 0 | 0 | 0 | 113.1 | V2022 N2023 H2024 E2029 W2030 | V2022-S2026 WeakPolarHBondContact O-CB 3.24Å; V2022-S2026 PolarHBondContact O-N 2.87Å; V2022-S2026 PolarHBondContact O-OG 2.84Å; N2023-S2026 PolarHBondContact O-N 2.79Å; N2023-S2026 PolarHBondContact O-OG 3.1Å; H2024-S2026 VanDerWaalsContact C-N 3.35Å; S2026-E2029 PolarHBondContact O-N 2.66Å; S2026-W2030 WeakPolarHBondContact O-CB 3.49Å; S2026-W2030 PolarHBondContact O-N 3.29Å |
| 2027 | L | 40.9 | Very low | 56.6 | Low | 100 Ų | 100 | 103.6 Ų | 103.6 | 52% | 0.524 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.1 | -34.7 | 174.8 | -105 | 138.5 | 0 | 0 | 0 | 113 | N2023 W2030 K2031 | N2023-L2027 WeakPolarHBondContact O-CB 3.48Å; N2023-L2027 PolarHBondContact O-N 2.82Å; L2027-W2030 PolarHBondContact O-N 3.05Å; L2027-K2031 WeakPolarHBondContact O-CB 3.3Å; L2027-K2031 PolarHBondContact O-N 3.4Å |
| 2028 | A | 46.1 | Very low | 54.9 | Low | 44 Ų | 44 | 106 Ų | 106 | 36% | 0.364 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.9 | -33 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H2024 A2025 R2032 | H2024-A2028 WeakPolarHBondContact O-CB 3.36Å; H2024-A2028 PolarHBondContact O-N 2.95Å; A2025-A2028 PolarHBondContact O-N 2.75Å; A2028-R2032 VanDerWaalsContact O-CB 3.24Å; A2028-R2032 WeakPolarHBondContact O-CB 3.41Å; A2028-R2032 WeakPolarHBondContact O-CG 3.37Å; A2028-R2032 PolarHBondContact O-N 3.45Å |
| 2029 | E | 40.2 | Very low | 53 | Low | 140 Ų | 140 | 111 Ų | 111 | 65% | 0.654 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.3 | -41 | 169.8 | -79.6 | 175.3 | 172.4 | 0 | 0 | 110.8 | A2025 S2026 K2031 R2032 S2033 | A2025-E2029 WeakPolarHBondContact O-CB 3.4Å; A2025-E2029 WeakPolarHBondContact O-CG 3.39Å; A2025-E2029 PolarHBondContact O-N 2.76Å; S2026-E2029 PolarHBondContact O-N 2.66Å; E2029-K2031 PolarHBondContact O-N 2.84Å; E2029-R2032 PolarHBondContact O-N 2.83Å; E2029-S2033 PolarHBondContact O-N 2.94Å |
| 2030 | W | 30.9 | Very low | 51.1 | Low | 211 Ų | 211 | 115.3 Ų | 115.3 | 80% | 0.799 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.4 | -32.4 | 175.5 | -147.2 | 69.6 | 0 | 0 | 0 | 113.6 | S2026 L2027 S2033 | S2026-W2030 WeakPolarHBondContact O-CB 3.49Å; S2026-W2030 PolarHBondContact O-N 3.29Å; L2027-W2030 PolarHBondContact O-N 3.05Å; W2030-S2033 PolarHBondContact O-OG 3.04Å |
| 2031 | K | 37.3 | Very low | 49.2 | Very low | 179 Ų | 179 | 114.9 Ų | 114.9 | 78% | 0.778 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -11.9 | 172.9 | -78.3 | -171.5 | 175.4 | -175.4 | 0 | 114.4 | L2027 E2029 | L2027-K2031 WeakPolarHBondContact O-CB 3.3Å; L2027-K2031 PolarHBondContact O-N 3.4Å; E2029-K2031 PolarHBondContact O-N 2.84Å |
| 2032 | R | 34.6 | Very low | 46.8 | Very low | 215 Ų | 215 | 119.2 Ų | 119.2 | 81% | 0.811 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | -9.2 | 179.8 | -80.4 | -177.1 | 175.1 | 163.9 | -1.3 | 114.2 | A2028 E2029 P2034 | A2028-R2032 VanDerWaalsContact O-CB 3.24Å; A2028-R2032 WeakPolarHBondContact O-CB 3.41Å; A2028-R2032 WeakPolarHBondContact O-CG 3.37Å; A2028-R2032 PolarHBondContact O-N 3.45Å; E2029-R2032 PolarHBondContact O-N 2.83Å; R2032-P2034 WeakPolarHBondContact O-CD 2.97Å |
| 2033 | S | 25.1 | Very low | 44.4 | Very low | 70 Ų | 70 | 121.7 Ų | 121.7 | 49% | 0.49 | 62% | 0.619 | S | S | . | * | trans | -74.1 | 116.4 | 160.2 | 51.3 | 0 | 0 | 0 | 0 | 108.4 | E2029 W2030 | E2029-S2033 PolarHBondContact O-N 2.94Å; W2030-S2033 PolarHBondContact O-OG 3.04Å | ||
| 2034 | P | 31.4 | Very low | 42 | Very low | 201 Ų | 201 | 123.9 Ų | 123.9 | 100% | 1.305 | 63% | 0.628 | S | S | * | * | trans | -59.9 | 0 | 167.9 | 27.5 | -32.7 | 0 | 0 | 0 | 111.5 | R2032 | R2032-P2034 WeakPolarHBondContact O-CD 2.97Š|
Retrieved 2,034 of 2,034 residues in 849.8 ms
(Link to these results)