| 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 | 83.3 | Confident | 94 | Very high | 101 Ų | 101 | 20.5 Ų | 20.5 | 50% | 0.498 | 10% | 0.103 | S | C | . | . | 0 | 112.7 | 0 | -176.1 | 176 | 78.9 | 0 | 0 | 106.1 | K253 V254 Q255 E266 | M1-K253 HydrophobicContact CE-CD 4.17Å; M1-K253 HydrophobicContact CE-CG 4.33Å; M1-K253 HydrophobicContact CG-CB 4.36Å; M1-K253 HydrophobicContact SD-CB 3.86Å; M1-K253 HydrophobicContact SD-CD 4.3Å; M1-K253 HydrophobicContact SD-CG 4.31Å; M1-V254 CarbonylContact C-O 3.49Å; M1-V254 WeakPolarHBondContact CA-O 3.29Å; M1-V254 WeakPolarHBondContact CG-O 3.47Å; M1-Q255 HydrophobicContact CB-CB 4.24Å; M1-Q255 HydrophobicContact CG-CB 4.2Å; M1-E266 PolarHBondContact N-OE1 3.35Å | |||
| 2 | L | 87.2 | Confident | 94.1 | Very high | 49 Ų | 49 | 18.8 Ų | 18.8 | 26% | 0.257 | 9% | 0.094 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 132.6 | 172.8 | -173.6 | 57.6 | 0 | 0 | 0 | 107.7 | V254 E266 H270 | L2-V254 PolarHBondContact N-O 3.43Å; L2-V254 PolarHBondContact O-N 3.32Å; L2-E266 HydrophobicContact CB-CB 3.96Å; L2-E266 HydrophobicContact CD2-CB 4.31Å; L2-E266 PolarHBondContact N-OE2 3.12Å; L2-H270 PolarHBondContact O-NE2 2.97Å |
| 3 | T | 93.2 | Very high | 94.1 | Very high | 17 Ų | 17 | 19.2 Ų | 19.2 | 10% | 0.104 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 122.1 | -180 | -58.3 | 0 | 0 | 0 | 0 | 109.3 | R194 T195 L251 C252 K253 | T3-R194 HydrophobicContact CG2-CB 4.27Å; T3-T195 PolarHBondContact O-N 2.94Å; T3-T195 VanDerWaalsContact O-N 3.11Å; T3-L251 HydrophobicContact CG2-CD1 3.57Å; T3-L251 HydrophobicContact CG2-CG 4.23Å; T3-C252 WeakPolarHBondContact CA-O 3.37Å; T3-K253 HydrophobicContact CG2-CG 4.07Å |
| 4 | K | 95.7 | Very high | 94.2 | Very high | 27 Ų | 27 | 18.8 Ų | 18.8 | 12% | 0.117 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 137.7 | 171.9 | -64.1 | -164.8 | 176.9 | -178 | 0 | 110.5 | Y6 T195 C252 H270 D271 | K4-Y6 HydrophobicContact CB-CE2 3.94Å; K4-Y6 HydrophobicContact CD-CE1 4.42Å; K4-T195 CarbonylContact C-O 3.53Å; K4-T195 VanDerWaalsContact CA-O 3.26Å; K4-T195 WeakPolarHBondContact CA-O 3.17Å; K4-C252 PolarHBondContact N-O 3.01Å; K4-C252 PolarHBondContact O-N 2.84Å; K4-H270 HydrophobicContact CD-CB 3.98Å; K4-D271 IonicContact NZ-OD1 3.87Å; K4-D271 PolarHBondContact NZ-OD1 3.24Å |
| 5 | E | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 111.5 | 169.5 | -177.8 | -173.9 | 133.3 | 0 | 0 | 108.1 | R7 F184 R194 T195 V196 D197 K250 L251 | E5-R7 IonicContact OE1-CZ 3.21Å; E5-R7 IonicContact OE1-NE 2.73Å; E5-R7 PolarHBondContact OE1-NE 3.34Å; E5-R7 IonicContact OE1-NH2 2.79Å; E5-R7 PolarHBondContact OE1-NH2 3.46Å; E5-R7 VanDerWaalsContact OE1-NH2 3.07Å; E5-F184 HydrophobicContact CG-CE2 4.37Å; E5-R194 VanDerWaalsContact OE2-CD 3.27Å; E5-R194 WeakPolarHBondContact OE2-CD 3.48Å; E5-R194 IonicContact OE2-CZ 2.86Å; E5-R194 IonicContact OE2-NE 3.56Å; E5-R194 PolarHBondContact OE2-NE 3.39Å; E5-R194 IonicContact OE2-NH1 3.63Å; E5-T195 PolarHBondContact N-O 2.66Å; E5-V196 HydrophobicContact CB-CG2 4.36Å; E5-V196 CarbonylContact O-C 3.22Å; E5-V196 WeakPolarHBondContact O-CA 3.45Å; E5-D197 PolarHBondContact O-N 3.43Å; E5-K250 CarbonylContact C-O 3.55Å; E5-K250 WeakPolarHBondContact CA-O 3.36Å; E5-L251 HydrophobicContact CB-CD1 4.25Å |
| 6 | Y | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 126.3 | 173.2 | -59.7 | -83.5 | 0 | 0 | 0 | 109.5 | K4 D197 M199 K250 C252 H270 L274 R275 M278 | K4-Y6 HydrophobicContact CB-CE2 3.94Å; K4-Y6 HydrophobicContact CD-CE1 4.42Å; Y6-D197 CarbonylContact C-O 3.58Å; Y6-D197 VanDerWaalsContact CA-O 3.31Å; Y6-D197 WeakPolarHBondContact CA-O 3.32Å; Y6-D197 HydrophobicContact CD1-CB 3.79Å; Y6-D197 HydrophobicContact CE1-CB 4.07Å; Y6-D197 WeakPolarHBondContact CE1-OD2 3.38Å; Y6-M199 HydrophobicContact CD1-CG 4.29Å; Y6-M199 HydrophobicContact CD1-SD 3.57Å; Y6-M199 VanDerWaalsContact CD1-SD 3.57Å; Y6-M199 HydrophobicContact CE1-SD 4.41Å; Y6-M199 HydrophobicContact CG-SD 4.1Å; Y6-K250 PolarHBondContact N-O 3.05Å; Y6-K250 PolarHBondContact O-N 2.77Å; Y6-C252 HydrophobicContact CD2-CB 4.36Å; Y6-C252 HydrophobicContact CE2-CB 4Å; Y6-H270 AromaticContact CE2-ND1 3.83Å; Y6-H270 AromaticContact CZ-ND1 3.82Å; Y6-H270 WeakPolarHBondContact OH-CA 3.06Å; Y6-H270 WeakPolarHBondContact OH-CB 3.44Å; Y6-H270 PolarHBondContact OH-ND1 3.02Å; Y6-H270 PolarHBondContact OH-O 3.42Å; Y6-L274 HydrophobicContact CE2-CB 4.46Å; Y6-R275 HydrophobicContact CD1-CG 4.38Å; Y6-R275 HydrophobicContact CE1-CB 3.8Å; Y6-R275 HydrophobicContact CE1-CG 3.86Å; Y6-M278 HydrophobicContact CD2-SD 4.15Å; Y6-M278 HydrophobicContact CG-SD 4.34Å |
| 7 | R | 97.2 | Very high | 94.2 | Very high | 13 Ų | 13 | 25.2 Ų | 25.2 | 5% | 0.049 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 103.6 | 173.8 | -62.6 | -170.4 | -175.6 | 171.4 | 8.7 | 108.4 | E5 G178 Q180 E181 V196 D197 V198 M199 Y249 | E5-R7 IonicContact OE1-CZ 3.21Å; E5-R7 IonicContact OE1-NE 2.73Å; E5-R7 PolarHBondContact OE1-NE 3.34Å; E5-R7 IonicContact OE1-NH2 2.79Å; E5-R7 PolarHBondContact OE1-NH2 3.46Å; E5-R7 VanDerWaalsContact OE1-NH2 3.07Å; R7-G178 WeakPolarHBondContact CD-O 3.5Å; R7-G178 PolarHBondContact NH1-O 2.69Å; R7-Q180 PolarHBondContact NH2-O 3.29Å; R7-E181 IonicContact CZ-OE1 3.82Å; R7-E181 IonicContact NH1-OE1 3.67Å; R7-E181 PolarHBondContact NH1-OE1 3.38Å; R7-E181 VanDerWaalsContact NH2-CD 3.33Å; R7-E181 IonicContact NH2-OE1 3.71Å; R7-E181 PolarHBondContact NH2-OE1 3.41Å; R7-E181 IonicContact NH2-OE2 3.65Å; R7-E181 PolarHBondContact NH2-OE2 3.05Å; R7-V196 HydrophobicContact CG-CG1 4.18Å; R7-D197 PolarHBondContact N-O 2.7Å; R7-V198 HydrophobicContact CB-CG2 4.26Å; R7-V198 WeakPolarHBondContact O-CA 3.47Å; R7-M199 PolarHBondContact O-N 2.61Å; R7-Y249 HydrophobicContact CG-CD1 3.86Å; R7-Y249 HydrophobicContact CG-CE1 4.04Å |
| 8 | I | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 112.8 | -173.5 | -46.2 | 171.8 | 0 | 0 | 0 | 109.1 | M199 I201 C247 A248 K250 M278 H282 | I8-M199 HydrophobicContact CD1-SD 4.13Å; I8-M199 HydrophobicContact CG1-CB 4.2Å; I8-M199 HydrophobicContact CG1-CG 4.44Å; I8-M199 HydrophobicContact CG1-SD 3.84Å; I8-M199 HydrophobicContact CG2-CB 4.39Å; I8-I201 HydrophobicContact CG2-CG2 4.39Å; I8-C247 WeakPolarHBondContact O-CA 3.16Å; I8-A248 HydrophobicContact CB-CB 4.34Å; I8-A248 PolarHBondContact N-O 3.15Å; I8-A248 PolarHBondContact O-N 2.97Å; I8-K250 HydrophobicContact CD1-CD 3.91Å; I8-M278 HydrophobicContact CD1-CB 3.93Å; I8-M278 HydrophobicContact CD1-CG 4.36Å; I8-M278 HydrophobicContact CD1-SD 4.14Å; I8-H282 WeakPolarHBondContact CD1-CE1 3.27Å; I8-H282 WeakPolarHBondContact CD1-NE2 3.35Å; I8-H282 HydrophobicContact CG2-CB 3.93Å; I8-H282 VanDerWaalsContact CG2-CD2 3.43Å; I8-H282 WeakPolarHBondContact CG2-CD2 3.34Å |
| 9 | L | 95.9 | Very high | 94.1 | Very high | 11 Ų | 11 | 29.3 Ų | 29.3 | 6% | 0.058 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 136.3 | -177.5 | -55.7 | -179.9 | 0 | 0 | 0 | 110.8 | A177 V198 M199 W234 V235 C247 | L9-A177 WeakPolarHBondContact CD2-O 3.44Å; L9-V198 HydrophobicContact CD1-CG1 4.32Å; L9-M199 PolarHBondContact N-O 3.2Å; L9-W234 HydrophobicContact CB-CH2 3.6Å; L9-W234 HydrophobicContact CB-CZ2 3.94Å; L9-V235 HydrophobicContact CD1-CG1 4.24Å; L9-V235 HydrophobicContact CD1-CG2 3.94Å; L9-C247 HydrophobicContact CD2-CB 3.84Å |
| 10 | L | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 137.1 | 176.2 | -79.8 | 164 | 0 | 0 | 0 | 110.7 | L12 Y17 I201 I245 M246 H282 | L10-L12 HydrophobicContact CB-CB 4.46Å; L10-L12 HydrophobicContact CB-CD1 4.48Å; L10-L12 HydrophobicContact CB-CG 4.39Å; L10-L12 PolarHBondContact O-N 2.87Å; L10-Y17 HydrophobicContact CD1-CD2 3.43Å; L10-Y17 VanDerWaalsContact CD1-CD2 3.43Å; L10-Y17 HydrophobicContact CD1-CE2 3.23Å; L10-Y17 HydrophobicContact CD1-CG 4.34Å; L10-I201 HydrophobicContact CD2-CD1 3.76Å; L10-I201 HydrophobicContact CD2-CG2 4.37Å; L10-I245 WeakPolarHBondContact O-CA 3.31Å; L10-M246 HydrophobicContact CB-CE 4.34Å; L10-M246 HydrophobicContact CB-CG 4.01Å; L10-M246 HydrophobicContact CB-SD 4.23Å; L10-M246 HydrophobicContact CD1-CE 4.13Å; L10-M246 HydrophobicContact CD1-SD 4.12Å; L10-M246 PolarHBondContact N-O 3.28Å; L10-M246 PolarHBondContact O-N 2.68Å; L10-H282 HydrophobicContact CD2-CB 4.32Å |
| 11 | P | 94.7 | Very high | 94 | Very high | 7 Ų | 7 | 27 Ų | 27 | 5% | 0.045 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -80 | 53.9 | 174.4 | 31.2 | -31.3 | 0 | 0 | 0 | 111.9 | R227 L230 W234 P244 W286 | P11-R227 PolarHBondContact O-NH1 3.29Å; P11-L230 HydrophobicContact CG-CD1 3.75Å; P11-L230 HydrophobicContact CG-CD2 4.09Å; P11-W234 HydrophobicContact CB-CE3 4.01Å; P11-W234 HydrophobicContact CB-CZ3 3.79Å; P11-W234 HydrophobicContact CG-CE3 4.15Å; P11-W234 HydrophobicContact CG-CZ3 3.94Å; P11-P244 CarbonylContact C-O 3.53Å; P11-P244 VanDerWaalsContact C-O 3.29Å; P11-P244 WeakPolarHBondContact CA-O 3.35Å; P11-W286 HydrophobicContact CB-CH2 4.35Å; P11-W286 HydrophobicContact CB-CZ3 4.21Å; P11-W286 HydrophobicContact CG-CD2 4.3Å; P11-W286 HydrophobicContact CG-CE3 3.78Å; P11-W286 HydrophobicContact CG-CH2 3.75Å; P11-W286 HydrophobicContact CG-CZ2 4.31Å; P11-W286 HydrophobicContact CG-CZ3 3.5Å |
| 12 | L | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -131.1 | 162 | -180 | -60.4 | 178.1 | 0 | 0 | 0 | 108.8 | L10 E16 Y17 R227 I245 M246 W286 W292 | L10-L12 HydrophobicContact CB-CB 4.46Å; L10-L12 HydrophobicContact CB-CD1 4.48Å; L10-L12 HydrophobicContact CB-CG 4.39Å; L10-L12 PolarHBondContact O-N 2.87Å; L12-E16 WeakPolarHBondContact CA-OE2 3.41Å; L12-E16 HydrophobicContact CB-CB 4.34Å; L12-Y17 HydrophobicContact CD1-CD2 4.05Å; L12-R227 VanDerWaalsContact CD2-CZ 3.49Å; L12-R227 VanDerWaalsContact CD2-NH2 3.25Å; L12-I245 CarbonylContact O-C 3.29Å; L12-I245 VanDerWaalsContact O-C 3.3Å; L12-M246 HydrophobicContact CB-CG 4.19Å; L12-M246 WeakPolarHBondContact O-CB 3.31Å; L12-M246 WeakPolarHBondContact O-CG 3.48Å; L12-M246 PolarHBondContact O-N 3.27Å; L12-M246 VanDerWaalsContact O-N 3.14Å; L12-W286 HydrophobicContact CD2-CE3 4.13Å; L12-W286 HydrophobicContact CD2-CZ3 4.01Å; L12-W292 HydrophobicContact CD1-CH2 3.97Å; L12-W292 HydrophobicContact CD1-CZ2 4.14Å; L12-W292 HydrophobicContact CD2-CH2 4Å |
| 13 | S | 94.6 | Very high | 94.4 | Very high | 25 Ų | 25 | 21.8 Ų | 21.8 | 18% | 0.175 | 11% | 0.106 | C | C | . | . | trans | -82.3 | 160 | 161.6 | 75.5 | 0 | 0 | 0 | 0 | 111 | D15 E16 Y17 N175 | S13-D15 PolarHBondContact O-N 3.3Å; S13-D15 PolarHBondContact OG-N 3.32Å; S13-E16 PolarHBondContact N-OE2 3.32Å; S13-E16 VanDerWaalsContact N-OE2 3.12Å; S13-E16 PolarHBondContact O-N 3.21Å; S13-E16 WeakPolarHBondContact OG-CG 3.48Å; S13-E16 PolarHBondContact OG-N 3.23Å; S13-E16 VanDerWaalsContact OG-N 3.11Å; S13-Y17 PolarHBondContact O-N 2.86Å; S13-N175 WeakPolarHBondContact CA-OD1 3.38Å | ||
| 14 | V | 95.7 | Very high | 94.2 | Very high | 13 Ų | 13 | 21.6 Ų | 21.6 | 8% | 0.079 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -54.4 | -41.2 | 171.1 | 166.5 | 0 | 0 | 0 | 0 | 110.9 | Y17 R18 Y150 P151 N175 M246 | V14-Y17 PolarHBondContact O-N 3.47Å; V14-R18 PolarHBondContact O-N 2.69Å; V14-Y150 HydrophobicContact CG1-CE1 3.63Å; V14-Y150 VanDerWaalsContact CG1-OH 3.29Å; V14-Y150 WeakPolarHBondContact CG1-OH 3.27Å; V14-Y150 PolarHBondContact O-OH 3.16Å; V14-P151 HydrophobicContact CG1-CB 4.28Å; V14-N175 HydrophobicContact CG2-CB 4.42Å; V14-N175 WeakPolarHBondContact CG2-OD1 3.42Å; V14-N175 PolarHBondContact N-OD1 3.29Å; V14-M246 HydrophobicContact CG2-CB 3.99Å |
| 15 | D | 93.1 | Very high | 93.8 | Very high | 115 Ų | 115 | 23.6 Ų | 23.6 | 62% | 0.615 | 12% | 0.115 | S | C | * | . | H | α-helix | trans | -67.3 | -40.2 | 178.6 | -66.2 | -42.9 | 0 | 0 | 0 | 113 | S13 R18 | S13-D15 PolarHBondContact O-N 3.3Å; S13-D15 PolarHBondContact OG-N 3.32Å; D15-R18 WeakPolarHBondContact O-CB 3.32Å; D15-R18 PolarHBondContact O-N 3.27Å |
| 16 | E | 94.1 | Very high | 93.2 | Very high | 45 Ų | 45 | 24 Ų | 24 | 21% | 0.21 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 173.5 | -72.4 | 176.4 | 159.9 | 0 | 0 | 110.9 | L12 S13 R18 V19 A20 R227 W292 F293 | L12-E16 WeakPolarHBondContact CA-OE2 3.41Å; L12-E16 HydrophobicContact CB-CB 4.34Å; S13-E16 PolarHBondContact N-OE2 3.32Å; S13-E16 VanDerWaalsContact N-OE2 3.12Å; S13-E16 PolarHBondContact O-N 3.21Å; S13-E16 WeakPolarHBondContact OG-CG 3.48Å; S13-E16 PolarHBondContact OG-N 3.23Å; S13-E16 VanDerWaalsContact OG-N 3.11Å; E16-R18 VanDerWaalsContact C-N 3.25Å; E16-R18 PolarHBondContact O-N 3.29Å; E16-V19 PolarHBondContact O-N 2.86Å; E16-A20 PolarHBondContact O-N 3.42Å; E16-R227 IonicContact OE1-CZ 3.82Å; E16-R227 IonicContact OE1-NH1 2.94Å; E16-R227 PolarHBondContact OE1-NH1 2.95Å; E16-R227 IonicContact OE1-NH2 3.99Å; E16-R227 IonicContact OE2-CZ 3.99Å; E16-R227 IonicContact OE2-NH1 3.37Å; E16-R227 PolarHBondContact OE2-NH1 2.97Å; E16-R227 IonicContact OE2-NH2 3.9Å; E16-W292 HydrophobicContact CB-CZ3 4.39Å; E16-W292 WeakPolarHBondContact O-CZ3 3.43Å; E16-F293 WeakPolarHBondContact OE1-CE2 3.23Å |
| 17 | Y | 95.5 | Very high | 92.6 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 2% | 0.024 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.1 | -27.2 | -178.7 | -170.7 | -103.9 | 0 | 0 | 0 | 113 | L10 L12 S13 V14 V19 A20 Q21 M24 Y173 M246 H282 A285 | L10-Y17 HydrophobicContact CD1-CD2 3.43Å; L10-Y17 VanDerWaalsContact CD1-CD2 3.43Å; L10-Y17 HydrophobicContact CD1-CE2 3.23Å; L10-Y17 HydrophobicContact CD1-CG 4.34Å; L12-Y17 HydrophobicContact CD1-CD2 4.05Å; S13-Y17 PolarHBondContact O-N 2.86Å; V14-Y17 PolarHBondContact O-N 3.47Å; Y17-V19 PolarHBondContact O-N 3.31Å; Y17-A20 HydrophobicContact CD2-CB 4.2Å; Y17-A20 PolarHBondContact O-N 3.24Å; Y17-Q21 HydrophobicContact CD1-CB 4.3Å; Y17-Q21 HydrophobicContact CE1-CB 3.76Å; Y17-Q21 PolarHBondContact O-N 3.43Å; Y17-M24 HydrophobicContact CE2-CE 4.08Å; Y17-Y173 AromaticContact CD1-CD1 3.93Å; Y17-Y173 HydrophobicContact CD1-CD1 3.93Å; Y17-Y173 AromaticContact CD1-CE1 3.78Å; Y17-Y173 HydrophobicContact CD1-CE1 3.78Å; Y17-Y173 AromaticContact CE1-CD1 3.96Å; Y17-Y173 HydrophobicContact CE1-CD1 3.96Å; Y17-Y173 AromaticContact CE1-CE1 3.35Å; Y17-Y173 HydrophobicContact CE1-CE1 3.35Å; Y17-Y173 AromaticContact CE1-CZ 3.94Å; Y17-M246 WeakPolarHBondContact CB-SD 3.32Å; Y17-M246 HydrophobicContact CD1-SD 3.85Å; Y17-M246 HydrophobicContact CD2-SD 4Å; Y17-M246 HydrophobicContact CG-SD 3.45Å; Y17-H282 PolarHBondContact OH-CD2 3.17Å; Y17-H282 PolarHBondContact OH-NE2 3.25Å; Y17-H282 VanDerWaalsContact OH-NE2 3.11Å; Y17-A285 HydrophobicContact CE2-CB 4.28Å |
| 18 | R | 94 | Very high | 91.9 | Very high | 107 Ų | 107 | 28.2 Ų | 28.2 | 40% | 0.404 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -54.2 | -41.8 | 174.7 | -172.2 | -179.9 | -179.4 | 171 | 1.5 | 112.2 | V14 D15 E16 Q21 Y150 | V14-R18 PolarHBondContact O-N 2.69Å; D15-R18 WeakPolarHBondContact O-CB 3.32Å; D15-R18 PolarHBondContact O-N 3.27Å; E16-R18 VanDerWaalsContact C-N 3.25Å; E16-R18 PolarHBondContact O-N 3.29Å; R18-Q21 WeakPolarHBondContact O-CG 3.15Å; R18-Q21 PolarHBondContact O-NE2 3.45Å; R18-Y150 HydrophobicContact CB-CD1 3.97Å; R18-Y150 HydrophobicContact CB-CE1 3.61Å; R18-Y150 HydrophobicContact CB-CE2 4.4Å; R18-Y150 HydrophobicContact CG-CD1 3.62Å; R18-Y150 HydrophobicContact CG-CD2 4.39Å; R18-Y150 HydrophobicContact CG-CE1 3.84Å; R18-Y150 HydrophobicContact CG-CG 3.91Å |
| 19 | V | 92.8 | Very high | 91.1 | Very high | 21 Ų | 21 | 28.4 Ų | 28.4 | 13% | 0.127 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -77 | -46.9 | 177.9 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | E16 Y17 Q21 L22 Y23 W292 L295 V300 | E16-V19 PolarHBondContact O-N 2.86Å; Y17-V19 PolarHBondContact O-N 3.31Å; V19-Q21 PolarHBondContact O-N 3.4Å; V19-L22 PolarHBondContact O-N 2.94Å; V19-Y23 PolarHBondContact O-N 3.05Å; V19-Y23 VanDerWaalsContact O-N 3.11Å; V19-W292 HydrophobicContact CG1-CE3 4.4Å; V19-W292 WeakPolarHBondContact CG1-O 3.36Å; V19-L295 HydrophobicContact CG1-CB 4.01Å; V19-V300 HydrophobicContact CG1-CG2 3.73Å |
| 20 | A | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.4 | -47.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | E16 Y17 L22 Y23 M24 W292 | E16-A20 PolarHBondContact O-N 3.42Å; Y17-A20 HydrophobicContact CD2-CB 4.2Å; Y17-A20 PolarHBondContact O-N 3.24Å; A20-L22 VanDerWaalsContact C-N 3.32Å; A20-L22 PolarHBondContact O-N 3.22Å; A20-Y23 PolarHBondContact O-N 2.78Å; A20-M24 WeakPolarHBondContact O-CB 3.32Å; A20-M24 VanDerWaalsContact O-CG 3.29Å; A20-M24 WeakPolarHBondContact O-CG 3.3Å; A20-M24 PolarHBondContact O-N 3.46Å; A20-W292 HydrophobicContact CB-CD2 3.65Å; A20-W292 VanDerWaalsContact CB-CE2 3.41Å; A20-W292 HydrophobicContact CB-CE3 3.83Å; A20-W292 HydrophobicContact CB-CG 4.4Å; A20-W292 HydrophobicContact CB-CH2 3.72Å; A20-W292 HydrophobicContact CB-CZ2 3.48Å; A20-W292 VanDerWaalsContact CB-CZ2 3.48Å; A20-W292 HydrophobicContact CB-CZ3 3.87Å |
| 21 | Q | 92 | Very high | 89.4 | Confident | 9 Ų | 9 | 34.2 Ų | 34.2 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.2 | -41.3 | -176.8 | 76.3 | -173.6 | -25.9 | 0 | 0 | 112.2 | Y17 R18 V19 M24 I25 Y173 | Y17-Q21 HydrophobicContact CD1-CB 4.3Å; Y17-Q21 HydrophobicContact CE1-CB 3.76Å; Y17-Q21 PolarHBondContact O-N 3.43Å; R18-Q21 WeakPolarHBondContact O-CG 3.15Å; R18-Q21 PolarHBondContact O-NE2 3.45Å; V19-Q21 PolarHBondContact O-N 3.4Å; Q21-M24 HydrophobicContact CB-CE 4.4Å; Q21-I25 WeakPolarHBondContact O-CD1 3.39Å; Q21-I25 WeakPolarHBondContact O-CG1 3.37Å; Q21-I25 PolarHBondContact O-N 3.44Å; Q21-I25 VanDerWaalsContact O-N 3.12Å; Q21-Y173 VanDerWaalsContact OE1-CZ 3.32Å; Q21-Y173 PolarHBondContact OE1-OH 3.28Å |
| 22 | L | 89.8 | Confident | 88.3 | Confident | 8 Ų | 8 | 36.6 Ų | 36.6 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -72.2 | -43.9 | -176.1 | -69.3 | 176 | 0 | 0 | 0 | 109.9 | V19 A20 M24 I25 Q26 I297 V300 | V19-L22 PolarHBondContact O-N 2.94Å; A20-L22 VanDerWaalsContact C-N 3.32Å; A20-L22 PolarHBondContact O-N 3.22Å; L22-M24 PolarHBondContact O-N 2.98Å; L22-I25 PolarHBondContact O-N 3.49Å; L22-Q26 PolarHBondContact O-N 3.03Å; L22-I297 HydrophobicContact CD1-CD1 3.52Å; L22-V300 HydrophobicContact CB-CG1 3.42Å; L22-V300 VanDerWaalsContact CB-CG1 3.42Å; L22-V300 HydrophobicContact CD1-CG1 4.14Å; L22-V300 HydrophobicContact CG-CG1 4.43Å |
| 23 | Y | 89.8 | Confident | 87.3 | Confident | 33 Ų | 33 | 36.7 Ų | 36.7 | 13% | 0.129 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.6 | -46.9 | 174.3 | 176 | -89.9 | 0 | 0 | 0 | 112 | V19 A20 I25 Q26 R27 W288 E291 W292 L295 L303 | V19-Y23 PolarHBondContact O-N 3.05Å; V19-Y23 VanDerWaalsContact O-N 3.11Å; A20-Y23 PolarHBondContact O-N 2.78Å; Y23-I25 PolarHBondContact O-N 3Å; Y23-Q26 PolarHBondContact O-N 3.21Å; Y23-R27 HydrophobicContact CE1-CB 4.38Å; Y23-R27 PolarHBondContact O-N 3.19Å; Y23-R27 PolarHBondContact OH-NH1 3.33Å; Y23-W288 HydrophobicContact CE1-CE3 4.36Å; Y23-E291 HydrophobicContact CE1-CB 4.32Å; Y23-E291 PolarHBondContact OH-OE2 2.78Å; Y23-W292 HydrophobicContact CD1-CB 3.89Å; Y23-W292 AromaticContact CD1-CD1 3.81Å; Y23-W292 HydrophobicContact CD1-CG 4.21Å; Y23-W292 HydrophobicContact CD2-CB 4.09Å; Y23-W292 HydrophobicContact CG-CB 3.67Å; Y23-W292 HydrophobicContact CG-CG 4.38Å; Y23-L295 HydrophobicContact CD2-CD1 3.8Å; Y23-L295 HydrophobicContact CE2-CD1 4.29Å; Y23-L303 HydrophobicContact CD2-CD1 4.01Å; Y23-L303 HydrophobicContact CE2-CD1 4.32Å |
| 24 | M | 89.4 | Confident | 86 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 6% | 0.064 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.8 | -44.6 | 178.5 | -76.2 | -169.2 | -68.3 | 0 | 0 | 113.1 | Y17 A20 Q21 L22 Q26 R27 K28 A285 W288 | Y17-M24 HydrophobicContact CE2-CE 4.08Å; A20-M24 WeakPolarHBondContact O-CB 3.32Å; A20-M24 VanDerWaalsContact O-CG 3.29Å; A20-M24 WeakPolarHBondContact O-CG 3.3Å; A20-M24 PolarHBondContact O-N 3.46Å; Q21-M24 HydrophobicContact CB-CE 4.4Å; L22-M24 PolarHBondContact O-N 2.98Å; M24-Q26 VanDerWaalsContact C-N 3.27Å; M24-Q26 PolarHBondContact O-N 3.4Å; M24-R27 PolarHBondContact O-N 3.21Å; M24-K28 VanDerWaalsContact O-CB 3.23Å; M24-K28 WeakPolarHBondContact O-CB 3.33Å; M24-K28 PolarHBondContact O-N 3Å; M24-A285 HydrophobicContact CE-CB 3.37Å; M24-A285 HydrophobicContact CG-CB 4.46Å; M24-A285 WeakPolarHBondContact SD-CA 3.49Å; M24-A285 HydrophobicContact SD-CB 3.25Å; M24-A285 WeakPolarHBondContact SD-CB 3.44Å; M24-A285 PolarHBondContact SD-N 3.4Å; M24-W288 HydrophobicContact CG-CE3 4.21Å; M24-W288 HydrophobicContact CG-CZ3 4.46Å |
| 25 | I | 86.1 | Confident | 84.5 | Confident | 69 Ų | 69 | 43.5 Ų | 43.5 | 35% | 0.354 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.9 | -43.4 | -179.8 | -72.3 | 163.7 | 0 | 0 | 0 | 110.3 | Q21 L22 Y23 S29 | Q21-I25 WeakPolarHBondContact O-CD1 3.39Å; Q21-I25 WeakPolarHBondContact O-CG1 3.37Å; Q21-I25 PolarHBondContact O-N 3.44Å; Q21-I25 VanDerWaalsContact O-N 3.12Å; L22-I25 PolarHBondContact O-N 3.49Å; Y23-I25 PolarHBondContact O-N 3Å; I25-S29 WeakPolarHBondContact O-CB 3.41Å; I25-S29 PolarHBondContact O-N 3.3Å; I25-S29 PolarHBondContact O-OG 3.03Å |
| 26 | Q | 84.7 | Confident | 83.1 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.7 | -46 | -179 | -56 | -47.2 | -11.7 | 0 | 0 | 113.1 | L22 Y23 M24 K28 S29 Q30 E304 A307 | L22-Q26 PolarHBondContact O-N 3.03Å; Y23-Q26 PolarHBondContact O-N 3.21Å; M24-Q26 VanDerWaalsContact C-N 3.27Å; M24-Q26 PolarHBondContact O-N 3.4Å; Q26-K28 PolarHBondContact O-N 2.9Å; Q26-S29 PolarHBondContact O-N 3.03Å; Q26-Q30 WeakPolarHBondContact O-CG 3.23Å; Q26-Q30 PolarHBondContact O-N 3.32Å; Q26-Q30 VanDerWaalsContact O-N 3.08Å; Q26-E304 HydrophobicContact CG-CB 4.29Å; Q26-E304 HydrophobicContact CG-CG 3.82Å; Q26-E304 VanDerWaalsContact NE2-CG 3.3Å; Q26-E304 PolarHBondContact NE2-OE1 3.18Å; Q26-E304 VanDerWaalsContact NE2-OE1 3.09Å; Q26-A307 HydrophobicContact CB-CB 4.09Å; Q26-A307 HydrophobicContact CG-CB 4.45Å |
| 27 | R | 83.3 | Confident | 81.6 | Confident | 56 Ų | 56 | 43.7 Ų | 43.7 | 21% | 0.211 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58 | -41 | 175.9 | -177.9 | 169.3 | 173.9 | 179 | 1.5 | 111.4 | Y23 M24 Q30 E31 W288 E291 | Y23-R27 HydrophobicContact CE1-CB 4.38Å; Y23-R27 PolarHBondContact O-N 3.19Å; Y23-R27 PolarHBondContact OH-NH1 3.33Å; M24-R27 PolarHBondContact O-N 3.21Å; R27-Q30 PolarHBondContact O-N 3.23Å; R27-E31 PolarHBondContact O-N 2.88Å; R27-E31 VanDerWaalsContact O-N 3.12Å; R27-W288 HydrophobicContact CB-CZ3 4.32Å; R27-W288 HydrophobicContact CG-CH2 4.22Å; R27-W288 HydrophobicContact CG-CZ3 4.02Å; R27-W288 VanDerWaalsContact CZ-CE2 3.44Å; R27-W288 VanDerWaalsContact NH1-CG 3.26Å; R27-E291 IonicContact CZ-OE1 3.83Å; R27-E291 IonicContact CZ-OE2 2.94Å; R27-E291 IonicContact NH1-OE1 2.69Å; R27-E291 PolarHBondContact NH1-OE1 3.27Å; R27-E291 IonicContact NH1-OE2 3.22Å; R27-E291 PolarHBondContact NH1-OE2 3.25Å; R27-E291 IonicContact NH2-OE1 2.82Å; R27-E291 PolarHBondContact NH2-OE1 2.69Å; R27-E291 IonicContact NH2-OE2 2.81Å |
| 28 | K | 82.7 | Confident | 80.2 | Confident | 46 Ų | 46 | 44.2 Ų | 44.2 | 20% | 0.2 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.3 | -41.7 | 179.6 | -165.2 | 69.8 | -165.7 | 161.4 | 0 | 112.8 | M24 Q26 Q30 E31 E32 | M24-K28 VanDerWaalsContact O-CB 3.23Å; M24-K28 WeakPolarHBondContact O-CB 3.33Å; M24-K28 PolarHBondContact O-N 3Å; Q26-K28 PolarHBondContact O-N 2.9Å; K28-Q30 PolarHBondContact O-N 3.4Å; K28-E31 IonicContact NZ-OE2 3.51Å; K28-E31 PolarHBondContact NZ-OE2 3.03Å; K28-E31 PolarHBondContact O-N 3.26Å; K28-E31 VanDerWaalsContact O-N 3.14Å; K28-E32 WeakPolarHBondContact CE-OE1 3.36Å; K28-E32 PolarHBondContact O-N 3.45Å; K28-E32 VanDerWaalsContact O-N 3.08Å |
| 29 | S | 80.9 | Confident | 79.4 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.9 | -36.6 | 176.2 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | I25 Q26 T33 | I25-S29 WeakPolarHBondContact O-CB 3.41Å; I25-S29 PolarHBondContact O-N 3.3Å; I25-S29 PolarHBondContact O-OG 3.03Å; Q26-S29 PolarHBondContact O-N 3.03Å; S29-T33 PolarHBondContact O-N 3.48Å; S29-T33 PolarHBondContact O-OG1 2.92Å |
| 30 | Q | 80.1 | Confident | 78.9 | Confident | 62 Ų | 62 | 38.5 Ų | 38.5 | 29% | 0.29 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -70.7 | -36.1 | 174.8 | -69.4 | 179.1 | 2.8 | 0 | 0 | 113.7 | Q26 R27 K28 A307 R314 | Q26-Q30 WeakPolarHBondContact O-CG 3.23Å; Q26-Q30 PolarHBondContact O-N 3.32Å; Q26-Q30 VanDerWaalsContact O-N 3.08Å; R27-Q30 PolarHBondContact O-N 3.23Å; K28-Q30 PolarHBondContact O-N 3.4Å; Q30-A307 HydrophobicContact CG-CB 4.3Å; Q30-R314 PolarHBondContact O-NH1 2.98Å |
| 31 | E | 76.4 | Confident | 78.4 | Confident | 70 Ų | 70 | 41 Ų | 41 | 33% | 0.327 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.6 | -34.5 | 176.1 | -75.5 | -174.3 | 169.6 | 0 | 0 | 112.7 | R27 K28 | R27-E31 PolarHBondContact O-N 2.88Å; R27-E31 VanDerWaalsContact O-N 3.12Å; K28-E31 IonicContact NZ-OE2 3.51Å; K28-E31 PolarHBondContact NZ-OE2 3.03Å; K28-E31 PolarHBondContact O-N 3.26Å; K28-E31 VanDerWaalsContact O-N 3.14Å |
| 32 | E | 71 | Confident | 78.2 | Confident | 58 Ų | 58 | 40.6 Ų | 40.6 | 27% | 0.271 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -83.9 | -20.4 | -174.7 | -69.2 | -173.1 | 174.8 | 0 | 0 | 113.6 | K28 K34 | K28-E32 WeakPolarHBondContact CE-OE1 3.36Å; K28-E32 PolarHBondContact O-N 3.45Å; K28-E32 VanDerWaalsContact O-N 3.08Å; E32-K34 PolarHBondContact O-N 2.72Å |
| 33 | T | 73.7 | Confident | 78 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | trans | -87.8 | 106.3 | -178.1 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | S29 G39 V40 L311 R314 M315 | S29-T33 PolarHBondContact O-N 3.48Å; S29-T33 PolarHBondContact O-OG1 2.92Å; T33-G39 WeakPolarHBondContact OG1-CA 3.38Å; T33-V40 PolarHBondContact OG1-N 3.01Å; T33-L311 VanDerWaalsContact CB-CD2 3.41Å; T33-L311 HydrophobicContact CG2-CD2 3.69Å; T33-L311 WeakPolarHBondContact OG1-CD2 3.32Å; T33-R314 HydrophobicContact CG2-CB 4.08Å; T33-R314 PolarHBondContact O-NH1 3.46Å; T33-M315 HydrophobicContact CG2-SD 4.48Å | ||
| 34 | K | 68.5 | Low | 77.9 | Confident | 154 Ų | 154 | 44 Ų | 44 | 67% | 0.67 | 23% | 0.225 | S | C | * | . | trans | -110.7 | -13 | -171.8 | -65.4 | -178.8 | -176.1 | 171.6 | 0 | 114.9 | E32 S38 | E32-K34 PolarHBondContact O-N 2.72Å; K34-S38 PolarHBondContact N-O 2.97Å | ||
| 35 | G | 64.2 | Low | 77.8 | Confident | 27 Ų | 27 | 44.8 Ų | 44.8 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | B | Isolated β-bridge | trans | -177.2 | -170.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D37 S38 | G35-D37 VanDerWaalsContact C-N 3.3Å; G35-D37 PolarHBondContact O-N 3.5Å; G35-S38 PolarHBondContact N-O 3.25Å; G35-S38 PolarHBondContact O-N 3.25Å |
| 36 | V | 62.5 | Low | 77.9 | Confident | 68 Ų | 68 | 46.6 Ų | 46.6 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -36.9 | -173.7 | 175.6 | 0 | 0 | 0 | 0 | 113.3 | M315 | V36-M315 WeakPolarHBondContact CA-O 3.44Å; V36-M315 WeakPolarHBondContact CG1-O 3.33Å; V36-M315 WeakPolarHBondContact O-CE 3.35Å |
| 37 | D | 62.6 | Low | 78 | Confident | 95 Ų | 95 | 50.4 Ų | 50.4 | 51% | 0.508 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | 14.1 | -174.3 | -56.6 | -57.9 | 0 | 0 | 0 | 113.7 | G35 H64 E66 | G35-D37 VanDerWaalsContact C-N 3.3Å; G35-D37 PolarHBondContact O-N 3.5Å; D37-H64 WeakPolarHBondContact O-CB 3.43Å; D37-E66 WeakPolarHBondContact CB-OE2 3.26Å |
| 38 | S | 66.4 | Low | 78.3 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 104.7 | -176.5 | 179 | 0 | 0 | 0 | 0 | 111.4 | K34 G35 | K34-S38 PolarHBondContact N-O 2.97Å; G35-S38 PolarHBondContact N-O 3.25Å; G35-S38 PolarHBondContact O-N 3.25Å |
| 39 | G | 77 | Confident | 78.4 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.1 | -160.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T33 H64 | T33-G39 WeakPolarHBondContact OG1-CA 3.38Å; G39-H64 PolarHBondContact N-O 3Å; G39-H64 VanDerWaalsContact N-O 3.17Å; G39-H64 PolarHBondContact O-N 3.12Å |
| 40 | V | 82.8 | Confident | 78.1 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 121.9 | 179.9 | -171 | 0 | 0 | 0 | 0 | 109.4 | T33 K61 Y63 | T33-V40 PolarHBondContact OG1-N 3.01Å; V40-K61 HydrophobicContact CG1-CB 4.33Å; V40-K61 HydrophobicContact CG1-CD 4.16Å; V40-Y63 HydrophobicContact CB-CD1 4.49Å; V40-Y63 HydrophobicContact CB-CE1 4.35Å; V40-Y63 HydrophobicContact CG1-CD1 4.39Å; V40-Y63 HydrophobicContact CG1-CE1 4.03Å; V40-Y63 HydrophobicContact CG1-CE2 4.42Å; V40-Y63 HydrophobicContact CG2-CD1 3.62Å; V40-Y63 HydrophobicContact CG2-CE1 3.42Å; V40-Y63 VanDerWaalsContact CG2-CE1 3.42Å |
| 41 | E | 83.3 | Confident | 77.7 | Confident | 51 Ų | 51 | 63.5 Ų | 63.5 | 24% | 0.238 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 124.1 | 174 | -169.9 | -176 | 176.8 | 0 | 0 | 109.8 | I43 K61 I62 H64 | E41-I43 HydrophobicContact CG-CD1 3.67Å; E41-I43 VanDerWaalsContact OE1-CD1 3.24Å; E41-I43 WeakPolarHBondContact OE1-CD1 3.38Å; E41-K61 CarbonylContact O-C 3.34Å; E41-K61 WeakPolarHBondContact O-CA 3.5Å; E41-I62 HydrophobicContact CB-CB 4.41Å; E41-I62 PolarHBondContact N-O 3.36Å; E41-I62 PolarHBondContact O-N 2.99Å; E41-H64 IonicContact OE2-CE1 3.74Å; E41-H64 IonicContact OE2-NE2 3.58Å; E41-H64 PolarHBondContact OE2-NE2 3.41Å |
| 42 | I | 86.6 | Confident | 77.5 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 106.7 | 176.9 | -54.5 | 174.9 | 0 | 0 | 0 | 108.2 | N45 K61 Q308 L311 | I42-N45 HydrophobicContact CG2-CB 4.09Å; I42-K61 HydrophobicContact CG1-CD 4.34Å; I42-K61 HydrophobicContact CG1-CG 4.2Å; I42-Q308 HydrophobicContact CB-CB 4.43Å; I42-Q308 HydrophobicContact CB-CG 4.02Å; I42-Q308 HydrophobicContact CD1-CB 4.27Å; I42-Q308 HydrophobicContact CG2-CG 4.2Å; I42-Q308 PolarHBondContact O-NE2 3.1Å; I42-L311 HydrophobicContact CD1-CD1 3.88Å; I42-L311 HydrophobicContact CG1-CD1 4.19Å |
| 43 | I | 85.8 | Confident | 77.5 | Confident | 70 Ų | 70 | 66.4 Ų | 66.4 | 36% | 0.359 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -49 | -177 | -49.4 | -64.7 | 0 | 0 | 0 | 110.6 | E41 F60 I62 | E41-I43 HydrophobicContact CG-CD1 3.67Å; E41-I43 VanDerWaalsContact OE1-CD1 3.24Å; E41-I43 WeakPolarHBondContact OE1-CD1 3.38Å; I43-F60 HydrophobicContact CB-CD1 3.67Å; I43-F60 HydrophobicContact CB-CE1 4.36Å; I43-F60 HydrophobicContact CG1-CD1 3.65Å; I43-F60 HydrophobicContact CG1-CE1 3.97Å; I43-F60 HydrophobicContact CG2-CD1 4.29Å; I43-F60 PolarHBondContact N-O 3.2Å; I43-I62 HydrophobicContact CD1-CD1 4Å; I43-I62 HydrophobicContact CD1-CG1 4.41Å; I43-I62 HydrophobicContact CG1-CD1 3.97Å; I43-I62 HydrophobicContact CG1-CG1 4.01Å |
| 44 | V | 87.7 | Confident | 77.7 | Confident | 42 Ų | 42 | 68.2 Ų | 68.2 | 26% | 0.255 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 134.9 | -179.1 | -174 | 0 | 0 | 0 | 0 | 108.7 | E46 Y58 T59 F60 | V44-E46 HydrophobicContact CG1-CB 4.49Å; V44-E46 HydrophobicContact CG1-CG 3.79Å; V44-Y58 HydrophobicContact CB-CD1 4.44Å; V44-Y58 HydrophobicContact CB-CE1 4.21Å; V44-Y58 HydrophobicContact CG1-CD1 3.83Å; V44-Y58 HydrophobicContact CG1-CE1 3.98Å; V44-T59 CarbonylContact O-C 3.3Å; V44-T59 VanDerWaalsContact O-CA 3.23Å; V44-T59 WeakPolarHBondContact O-CA 3.46Å; V44-F60 HydrophobicContact CB-CB 3.85Å; V44-F60 HydrophobicContact CG2-CB 4.06Å; V44-F60 PolarHBondContact N-O 3.16Å; V44-F60 PolarHBondContact O-N 3.39Å |
| 45 | N | 88.6 | Confident | 78.4 | Confident | 30 Ų | 30 | 64.4 Ų | 64.4 | 16% | 0.16 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 88.8 | 170 | -176.1 | 8.6 | 0 | 0 | 0 | 108.6 | I42 Q57 Y58 T59 | I42-N45 HydrophobicContact CG2-CB 4.09Å; N45-Q57 WeakPolarHBondContact OD1-CG 3.48Å; N45-Q57 PolarHBondContact OD1-NE2 3.25Å; N45-Y58 WeakPolarHBondContact CA-O 3.42Å; N45-T59 HydrophobicContact CB-CG2 4.07Å; N45-T59 WeakPolarHBondContact OD1-CG2 3.38Å |
| 46 | E | 88 | Confident | 79.7 | Confident | 108 Ų | 108 | 63.9 Ų | 63.9 | 51% | 0.505 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 154.5 | -173.3 | 70.5 | -173.3 | 173.3 | 0 | 0 | 112 | V44 Y58 | V44-E46 HydrophobicContact CG1-CB 4.49Å; V44-E46 HydrophobicContact CG1-CG 3.79Å; E46-Y58 PolarHBondContact N-O 3.21Å; E46-Y58 PolarHBondContact O-N 2.94Å |
| 47 | P | 87 | Confident | 81 | Confident | 88 Ų | 88 | 61.8 Ų | 61.8 | 57% | 0.571 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 141.9 | 172.1 | 28.5 | -34.1 | 0 | 0 | 0 | 110.8 | G56 | P47-G56 CarbonylContact C-O 3.59Å; P47-G56 VanDerWaalsContact CA-O 3.31Å; P47-G56 WeakPolarHBondContact CA-O 3.5Å |
| 48 | Y | 88.7 | Confident | 82.4 | Confident | 36 Ų | 36 | 59.2 Ų | 59.2 | 14% | 0.141 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 154.7 | 172.3 | 74.1 | -87.3 | 0 | 0 | 0 | 111.2 | H50 S55 G56 Q57 W147 | Y48-H50 AromaticContact CE2-CD2 3.45Å; Y48-H50 VanDerWaalsContact CE2-CD2 3.45Å; Y48-H50 WeakPolarHBondContact CE2-CD2 3.48Å; Y48-H50 AromaticContact CE2-NE2 3.89Å; Y48-S55 VanDerWaalsContact O-CA 3.31Å; Y48-S55 WeakPolarHBondContact O-CA 3.48Å; Y48-G56 VanDerWaalsContact CD1-C 3.41Å; Y48-G56 WeakPolarHBondContact CD1-O 3.48Å; Y48-G56 PolarHBondContact N-O 3.17Å; Y48-G56 PolarHBondContact O-N 3.46Å; Y48-Q57 VanDerWaalsContact CD1-C 3.48Å; Y48-Q57 VanDerWaalsContact CE1-C 3.5Å; Y48-Q57 WeakPolarHBondContact CE1-O 3.43Å; Y48-W147 HydrophobicContact CE1-CB 4.12Å |
| 49 | H | 84.7 | Confident | 83.5 | Confident | 156 Ų | 156 | 59.1 Ų | 59.1 | 72% | 0.722 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 122.8 | 175 | -62 | -75.7 | 0 | 0 | 0 | 108.9 | S55 | H49-S55 WeakPolarHBondContact ND1-CB 3.36Å |
| 50 | H | 73.8 | Confident | 84.3 | Confident | 95 Ų | 95 | 61 Ų | 61 | 44% | 0.44 | 35% | 0.345 | S | S | . | . | trans | -86.4 | 158.9 | 173.1 | -95.2 | -57.2 | 0 | 0 | 0 | 111.6 | Y48 D52 G53 S54 | Y48-H50 AromaticContact CE2-CD2 3.45Å; Y48-H50 VanDerWaalsContact CE2-CD2 3.45Å; Y48-H50 WeakPolarHBondContact CE2-CD2 3.48Å; Y48-H50 AromaticContact CE2-NE2 3.89Å; H50-D52 WeakPolarHBondContact CB-OD1 3.46Å; H50-D52 PolarHBondContact O-N 3.11Å; H50-G53 PolarHBondContact O-N 3.24Å; H50-G53 VanDerWaalsContact O-N 3.16Å; H50-S54 PolarHBondContact N-O 2.86Å | ||
| 51 | T | 72.3 | Confident | 84.6 | Confident | 156 Ų | 156 | 61.3 Ų | 61.3 | 96% | 0.957 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -18.4 | 175.4 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | G53 | T51-G53 VanDerWaalsContact C-N 3.28Š|
| 52 | D | 72.6 | Confident | 84.7 | Confident | 119 Ų | 119 | 60.5 Ų | 60.5 | 64% | 0.636 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -0 | 177 | 65.1 | 3.9 | 0 | 0 | 0 | 113.6 | H50 S54 | H50-D52 WeakPolarHBondContact CB-OD1 3.46Å; H50-D52 PolarHBondContact O-N 3.11Å; D52-S54 VanDerWaalsContact C-N 3.35Å; D52-S54 VanDerWaalsContact OD1-CB 3.31Å; D52-S54 WeakPolarHBondContact OD1-CB 3.49Å; D52-S54 PolarHBondContact OD1-N 3.29Å; D52-S54 PolarHBondContact OD1-OG 3.44Å; D52-S54 PolarHBondContact OD2-OG 3.44Å |
| 53 | G | 71.5 | Confident | 84.5 | Confident | 70 Ų | 70 | 62.9 Ų | 62.9 | 72% | 0.722 | 35% | 0.353 | S | S | * | . | S | Bend | trans | 87.2 | -3.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | H50 T51 | H50-G53 PolarHBondContact O-N 3.24Å; H50-G53 VanDerWaalsContact O-N 3.16Å; T51-G53 VanDerWaalsContact C-N 3.28Å |
| 54 | S | 76.7 | Confident | 84.1 | Confident | 41 Ų | 41 | 60.5 Ų | 60.5 | 29% | 0.287 | 34% | 0.34 | S | S | . | . | trans | -73.9 | 141.8 | 172.2 | 68.5 | 0 | 0 | 0 | 0 | 111 | H50 D52 | H50-S54 PolarHBondContact N-O 2.86Å; D52-S54 VanDerWaalsContact C-N 3.35Å; D52-S54 VanDerWaalsContact OD1-CB 3.31Å; D52-S54 WeakPolarHBondContact OD1-CB 3.49Å; D52-S54 PolarHBondContact OD1-N 3.29Å; D52-S54 PolarHBondContact OD1-OG 3.44Å; D52-S54 PolarHBondContact OD2-OG 3.44Å | ||
| 55 | S | 84.4 | Confident | 82.9 | Confident | 74 Ų | 74 | 60.8 Ų | 60.8 | 52% | 0.517 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 150 | 172.8 | 65.1 | 0 | 0 | 0 | 0 | 110.2 | Y48 H49 | Y48-S55 VanDerWaalsContact O-CA 3.31Å; Y48-S55 WeakPolarHBondContact O-CA 3.48Å; H49-S55 WeakPolarHBondContact ND1-CB 3.36Å |
| 56 | G | 89.8 | Confident | 81.3 | Confident | 15 Ų | 15 | 64.3 Ų | 64.3 | 16% | 0.155 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | -170.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P47 Y48 N148 | P47-G56 CarbonylContact C-O 3.59Å; P47-G56 VanDerWaalsContact CA-O 3.31Å; P47-G56 WeakPolarHBondContact CA-O 3.5Å; Y48-G56 VanDerWaalsContact CD1-C 3.41Å; Y48-G56 WeakPolarHBondContact CD1-O 3.48Å; Y48-G56 PolarHBondContact N-O 3.17Å; Y48-G56 PolarHBondContact O-N 3.46Å; G56-N148 CarbonylContact C-O 3.53Å; G56-N148 WeakPolarHBondContact CA-O 3.5Å |
| 57 | Q | 90.1 | Very high | 79.4 | Confident | 25 Ų | 25 | 61.8 Ų | 61.8 | 12% | 0.117 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.3 | 172.6 | -163.3 | 77.6 | 14.2 | 0 | 0 | 110.5 | N45 Y48 T59 N148 | N45-Q57 WeakPolarHBondContact OD1-CG 3.48Å; N45-Q57 PolarHBondContact OD1-NE2 3.25Å; Y48-Q57 VanDerWaalsContact CD1-C 3.48Å; Y48-Q57 VanDerWaalsContact CE1-C 3.5Å; Y48-Q57 WeakPolarHBondContact CE1-O 3.43Å; Q57-T59 HydrophobicContact CG-CG2 4.44Å; Q57-N148 PolarHBondContact N-O 3Å; Q57-N148 PolarHBondContact O-N 2.63Å |
| 58 | Y | 92.5 | Very high | 77.2 | Confident | 40 Ų | 40 | 61.7 Ų | 61.7 | 16% | 0.157 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 133.3 | 173.4 | 174.6 | -111.1 | 0 | 0 | 0 | 108.8 | V44 N45 E46 F60 E145 S146 W147 | V44-Y58 HydrophobicContact CB-CD1 4.44Å; V44-Y58 HydrophobicContact CB-CE1 4.21Å; V44-Y58 HydrophobicContact CG1-CD1 3.83Å; V44-Y58 HydrophobicContact CG1-CE1 3.98Å; N45-Y58 WeakPolarHBondContact CA-O 3.42Å; E46-Y58 PolarHBondContact N-O 3.21Å; E46-Y58 PolarHBondContact O-N 2.94Å; Y58-F60 HydrophobicContact CE1-CB 4.15Å; Y58-E145 HydrophobicContact CE2-CB 4.35Å; Y58-S146 CarbonylContact C-O 3.55Å; Y58-S146 WeakPolarHBondContact CA-O 3.43Å; Y58-W147 AromaticContact CD2-CD1 3.66Å; Y58-W147 HydrophobicContact CD2-CD2 4.3Å; Y58-W147 AromaticContact CD2-CE2 3.84Å; Y58-W147 HydrophobicContact CD2-CG 4.2Å; Y58-W147 HydrophobicContact CD2-CZ2 4.44Å; Y58-W147 AromaticContact CD2-NE1 3.4Å; Y58-W147 HydrophobicContact CE2-CD2 4.42Å; Y58-W147 AromaticContact CE2-CE2 3.71Å; Y58-W147 AromaticContact CE2-CZ2 3.85Å; Y58-W147 HydrophobicContact CE2-CZ2 3.85Å; Y58-W147 AromaticContact CE2-NE1 3.66Å |
| 59 | T | 90.3 | Very high | 74.9 | Confident | 17 Ų | 17 | 61.7 Ų | 61.7 | 10% | 0.104 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 134.9 | 174.5 | 51 | 0 | 0 | 0 | 0 | 110.7 | V44 N45 Q57 S146 | V44-T59 CarbonylContact O-C 3.3Å; V44-T59 VanDerWaalsContact O-CA 3.23Å; V44-T59 WeakPolarHBondContact O-CA 3.46Å; N45-T59 HydrophobicContact CB-CG2 4.07Å; N45-T59 WeakPolarHBondContact OD1-CG2 3.38Å; Q57-T59 HydrophobicContact CG-CG2 4.44Å; T59-S146 PolarHBondContact N-O 3.27Å; T59-S146 PolarHBondContact O-N 3.47Å; T59-S146 WeakPolarHBondContact OG1-CB 3.49Å; T59-S146 PolarHBondContact OG1-O 3.32Å |
| 60 | F | 92.3 | Very high | 72.4 | Confident | 45 Ų | 45 | 58.5 Ų | 58.5 | 20% | 0.197 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 118.4 | 172.4 | -174.9 | -80.3 | 0 | 0 | 0 | 108.4 | I43 V44 Y58 I62 V143 E144 E145 | I43-F60 HydrophobicContact CB-CD1 3.67Å; I43-F60 HydrophobicContact CB-CE1 4.36Å; I43-F60 HydrophobicContact CG1-CD1 3.65Å; I43-F60 HydrophobicContact CG1-CE1 3.97Å; I43-F60 HydrophobicContact CG2-CD1 4.29Å; I43-F60 PolarHBondContact N-O 3.2Å; V44-F60 HydrophobicContact CB-CB 3.85Å; V44-F60 HydrophobicContact CG2-CB 4.06Å; V44-F60 PolarHBondContact N-O 3.16Å; V44-F60 PolarHBondContact O-N 3.39Å; Y58-F60 HydrophobicContact CE1-CB 4.15Å; F60-I62 HydrophobicContact CE1-CD1 4.15Å; F60-I62 HydrophobicContact CE1-CG1 3.89Å; F60-V143 HydrophobicContact CD2-CG1 4.3Å; F60-V143 HydrophobicContact CE1-CG1 4.12Å; F60-V143 HydrophobicContact CE2-CG1 3.48Å; F60-V143 VanDerWaalsContact CE2-CG1 3.48Å; F60-V143 HydrophobicContact CZ-CG1 3.39Å; F60-E144 CarbonylContact C-O 3.56Å; F60-E144 WeakPolarHBondContact CA-O 3.32Å; F60-E145 HydrophobicContact CD2-CG 3.74Å; F60-E145 HydrophobicContact CE2-CG 4Å |
| 61 | K | 90.4 | Very high | 70.3 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 4% | 0.039 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 148.8 | -177.3 | -54.4 | 177.9 | -172.5 | 165.3 | 0 | 111.8 | V40 E41 I42 Y63 V143 E144 | V40-K61 HydrophobicContact CG1-CB 4.33Å; V40-K61 HydrophobicContact CG1-CD 4.16Å; E41-K61 CarbonylContact O-C 3.34Å; E41-K61 WeakPolarHBondContact O-CA 3.5Å; I42-K61 HydrophobicContact CG1-CD 4.34Å; I42-K61 HydrophobicContact CG1-CG 4.2Å; K61-Y63 HydrophobicContact CB-CE2 4.32Å; K61-V143 WeakPolarHBondContact O-CA 3.08Å; K61-E144 HydrophobicContact CB-CB 4.29Å; K61-E144 PolarHBondContact N-O 3.34Å; K61-E144 PolarHBondContact O-N 3.49Å |
| 62 | I | 85.9 | Confident | 68.3 | Low | 33 Ų | 33 | 55 Ų | 55 | 17% | 0.169 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120.7 | 173.3 | -55.2 | 179.2 | 0 | 0 | 0 | 108.2 | E41 I43 F60 K141 I142 | E41-I62 HydrophobicContact CB-CB 4.41Å; E41-I62 PolarHBondContact N-O 3.36Å; E41-I62 PolarHBondContact O-N 2.99Å; I43-I62 HydrophobicContact CD1-CD1 4Å; I43-I62 HydrophobicContact CD1-CG1 4.41Å; I43-I62 HydrophobicContact CG1-CD1 3.97Å; I43-I62 HydrophobicContact CG1-CG1 4.01Å; F60-I62 HydrophobicContact CE1-CD1 4.15Å; F60-I62 HydrophobicContact CE1-CG1 3.89Å; I62-K141 HydrophobicContact CG2-CB 4.37Å; I62-K141 HydrophobicContact CG2-CD 4.48Å; I62-I142 WeakPolarHBondContact CA-O 3.26Å |
| 63 | Y | 81.8 | Confident | 66.3 | Low | 52 Ų | 52 | 53.3 Ų | 53.3 | 20% | 0.204 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 120.7 | 172.1 | -70 | -98.1 | 0 | 0 | 0 | 109.4 | V40 K61 K141 I142 E144 F157 | V40-Y63 HydrophobicContact CB-CD1 4.49Å; V40-Y63 HydrophobicContact CB-CE1 4.35Å; V40-Y63 HydrophobicContact CG1-CD1 4.39Å; V40-Y63 HydrophobicContact CG1-CE1 4.03Å; V40-Y63 HydrophobicContact CG1-CE2 4.42Å; V40-Y63 HydrophobicContact CG2-CD1 3.62Å; V40-Y63 HydrophobicContact CG2-CE1 3.42Å; V40-Y63 VanDerWaalsContact CG2-CE1 3.42Å; K61-Y63 HydrophobicContact CB-CE2 4.32Å; Y63-K141 VanDerWaalsContact O-CA 3.3Å; Y63-K141 WeakPolarHBondContact O-CA 3.22Å; Y63-I142 PolarHBondContact N-O 3.03Å; Y63-I142 PolarHBondContact O-N 2.98Å; Y63-E144 HydrophobicContact CD2-CB 4.41Å; Y63-E144 HydrophobicContact CE2-CB 3.91Å; Y63-E144 WeakPolarHBondContact CE2-OE2 3.34Å; Y63-E144 PolarHBondContact OH-OE2 2.99Å; Y63-F157 HydrophobicContact CE2-CE1 4.36Å |
| 64 | H | 76.8 | Confident | 64.6 | Low | 19 Ų | 19 | 53.8 Ų | 53.8 | 9% | 0.088 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 110.1 | 175.7 | -55.6 | -93.6 | 0 | 0 | 0 | 109.1 | D37 G39 E41 K141 M315 | D37-H64 WeakPolarHBondContact O-CB 3.43Å; G39-H64 PolarHBondContact N-O 3Å; G39-H64 VanDerWaalsContact N-O 3.17Å; G39-H64 PolarHBondContact O-N 3.12Å; E41-H64 IonicContact OE2-CE1 3.74Å; E41-H64 IonicContact OE2-NE2 3.58Å; E41-H64 PolarHBondContact OE2-NE2 3.41Å; H64-K141 WeakPolarHBondContact ND1-CE 3.14Å; H64-M315 WeakPolarHBondContact CD2-CE 3.49Å; H64-M315 VanDerWaalsContact NE2-CE 3.31Å; H64-M315 WeakPolarHBondContact NE2-CE 3.49Å |
| 65 | I | 63.4 | Low | 62.6 | Low | 48 Ų | 48 | 56 Ų | 56 | 25% | 0.246 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 6.3 | -163.8 | -57 | 174.6 | 0 | 0 | 0 | 113.1 | G67 H68 L69 M140 I142 | I65-G67 VanDerWaalsContact C-N 3.26Å; I65-G67 PolarHBondContact O-N 2.91Å; I65-H68 PolarHBondContact O-N 3.25Å; I65-L69 HydrophobicContact CG2-CG 4.46Å; I65-M140 HydrophobicContact CB-CB 4.18Å; I65-M140 PolarHBondContact N-O 2.92Å; I65-I142 HydrophobicContact CD1-CB 4.42Å; I65-I142 HydrophobicContact CD1-CD1 3.41Å; I65-I142 VanDerWaalsContact CD1-CD1 3.41Å; I65-I142 HydrophobicContact CD1-CG1 3.64Å |
| 66 | E | 53.8 | Low | 60.1 | Low | 104 Ų | 104 | 54.1 Ų | 54.1 | 49% | 0.486 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -35.4 | -168.1 | -153.8 | 169.4 | 178.1 | 0 | 0 | 114.2 | D37 | D37-E66 WeakPolarHBondContact CB-OE2 3.26Š|
| 67 | G | 47.8 | Very low | 57.7 | Low | 55 Ų | 55 | 54.6 Ų | 54.6 | 57% | 0.567 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | -4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | I65 | I65-G67 VanDerWaalsContact C-N 3.26Å; I65-G67 PolarHBondContact O-N 2.91Å |
| 68 | H | 42.5 | Very low | 55.2 | Low | 86 Ų | 86 | 62.3 Ų | 62.3 | 40% | 0.398 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -3 | -168.1 | -126.3 | -72.6 | 0 | 0 | 0 | 115.5 | I65 | I65-H68 PolarHBondContact O-N 3.25Š|
| 69 | L | 40.1 | Very low | 52.7 | Low | 37 Ų | 37 | 69.8 Ų | 69.8 | 19% | 0.194 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -86.8 | 116.3 | 169.4 | -66.6 | 173.7 | 0 | 0 | 0 | 109 | I65 G71 F127 R132 M140 | I65-L69 HydrophobicContact CG2-CG 4.46Å; L69-G71 PolarHBondContact O-N 2.84Å; L69-F127 HydrophobicContact CD2-CD1 3.47Å; L69-F127 VanDerWaalsContact CD2-CD1 3.47Å; L69-F127 HydrophobicContact CD2-CE1 3.18Å; L69-F127 HydrophobicContact CD2-CZ 4.14Å; L69-R132 HydrophobicContact CD1-CB 4.21Å; L69-R132 HydrophobicContact CD1-CG 4.03Å; L69-M140 HydrophobicContact CD1-CE 4.13Å |
| 70 | P | 32.1 | Very low | 50.5 | Low | 88 Ų | 88 | 74.5 Ų | 74.5 | 57% | 0.571 | 41% | 0.409 | S | S | * | . | trans | -59.6 | 110.6 | 178.1 | 23 | -31.5 | 0 | 0 | 0 | 110 | F127 | P70-F127 HydrophobicContact CG-CB 3.8Å; P70-F127 HydrophobicContact CG-CD2 3.62Å; P70-F127 HydrophobicContact CG-CE2 4.39Å; P70-F127 HydrophobicContact CG-CG 3.8Å | ||
| 71 | G | 30 | Very low | 48.3 | Very low | 68 Ų | 68 | 76.8 Ų | 76.8 | 70% | 0.701 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 136.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | L69 S73 | L69-G71 PolarHBondContact O-N 2.84Å; G71-S73 PolarHBondContact O-N 3.15Å; G71-S73 VanDerWaalsContact O-N 3.14Å |
| 72 | M | 29.8 | Very low | 46.5 | Very low | 110 Ų | 110 | 81.8 Ų | 81.8 | 54% | 0.542 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 119 | 172.6 | -67.2 | 175.9 | 84.7 | 0 | 0 | 108.3 | S74 A77 F80 | M72-S74 PolarHBondContact O-N 3.07Å; M72-A77 HydrophobicContact CB-CB 4.29Å; M72-A77 HydrophobicContact CE-CB 3.62Å; M72-A77 HydrophobicContact SD-CB 4.17Å; M72-F80 HydrophobicContact CE-CB 4.24Å |
| 73 | S | 31.1 | Very low | 44.8 | Very low | 83 Ų | 83 | 83.2 Ų | 83.2 | 58% | 0.58 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 139.7 | 159.9 | 59.9 | 0 | 0 | 0 | 0 | 107.8 | G71 V75 G76 A77 | G71-S73 PolarHBondContact O-N 3.15Å; G71-S73 VanDerWaalsContact O-N 3.14Å; S73-V75 PolarHBondContact O-N 3.42Å; S73-G76 WeakPolarHBondContact O-CA 3.45Å; S73-G76 PolarHBondContact O-N 2.98Å; S73-A77 PolarHBondContact O-N 2.88Å |
| 74 | S | 34.6 | Very low | 43.2 | Very low | 80 Ų | 80 | 84.9 Ų | 84.9 | 56% | 0.559 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -53.1 | -28.8 | -173.3 | 71.2 | 0 | 0 | 0 | 0 | 113 | M72 A77 R78 | M72-S74 PolarHBondContact O-N 3.07Å; S74-A77 PolarHBondContact O-N 3.37Å; S74-R78 WeakPolarHBondContact O-CB 3.27Å; S74-R78 VanDerWaalsContact O-CG 3.29Å; S74-R78 WeakPolarHBondContact O-CG 3.39Å; S74-R78 PolarHBondContact O-N 3.4Å |
| 75 | V | 34.7 | Very low | 41.9 | Very low | 89 Ų | 89 | 88.8 Ų | 88.8 | 54% | 0.539 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 175.1 | -175.1 | 0 | 0 | 0 | 0 | 112.4 | S73 R79 | S73-V75 PolarHBondContact O-N 3.42Å; V75-R79 PolarHBondContact O-N 2.97Å |
| 76 | G | 31.8 | Very low | 41.4 | Very low | 33 Ų | 33 | 90 Ų | 90 | 34% | 0.34 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.5 | -37.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | S73 R79 F80 | S73-G76 WeakPolarHBondContact O-CA 3.45Å; S73-G76 PolarHBondContact O-N 2.98Å; G76-R79 PolarHBondContact O-N 3.26Å; G76-F80 WeakPolarHBondContact O-CB 3.32Å; G76-F80 PolarHBondContact O-N 3.36Å |
| 77 | A | 38.8 | Very low | 40.9 | Very low | 25 Ų | 25 | 90.3 Ų | 90.3 | 21% | 0.207 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -67.6 | -43.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | M72 S73 S74 R79 F80 I81 | M72-A77 HydrophobicContact CB-CB 4.29Å; M72-A77 HydrophobicContact CE-CB 3.62Å; M72-A77 HydrophobicContact SD-CB 4.17Å; S73-A77 PolarHBondContact O-N 2.88Å; S74-A77 PolarHBondContact O-N 3.37Å; A77-R79 PolarHBondContact O-N 2.83Å; A77-F80 PolarHBondContact O-N 3.13Å; A77-I81 WeakPolarHBondContact O-CB 3.4Å; A77-I81 VanDerWaalsContact O-CG1 3.26Å; A77-I81 WeakPolarHBondContact O-CG1 3.34Å; A77-I81 PolarHBondContact O-N 2.84Å |
| 78 | R | 38.8 | Very low | 40.8 | Very low | 188 Ų | 188 | 90 Ų | 90 | 71% | 0.709 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.9 | -44.4 | 174.2 | -74.8 | 177.4 | -179.9 | -160.5 | 0.1 | 111.5 | S74 F80 I81 L82 | S74-R78 WeakPolarHBondContact O-CB 3.27Å; S74-R78 VanDerWaalsContact O-CG 3.29Å; S74-R78 WeakPolarHBondContact O-CG 3.39Å; S74-R78 PolarHBondContact O-N 3.4Å; R78-F80 PolarHBondContact O-N 3.23Å; R78-I81 PolarHBondContact O-N 2.93Å; R78-L82 VanDerWaalsContact O-CB 3.23Å; R78-L82 WeakPolarHBondContact O-CB 3.44Å; R78-L82 PolarHBondContact O-N 2.94Å |
| 79 | R | 40.5 | Very low | 41 | Very low | 196 Ų | 196 | 94.7 Ų | 94.7 | 74% | 0.74 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.8 | -38.6 | 174.8 | -80.7 | -175.7 | 168.4 | 177.8 | -2 | 113.4 | V75 G76 A77 S83 | V75-R79 PolarHBondContact O-N 2.97Å; G76-R79 PolarHBondContact O-N 3.26Å; A77-R79 PolarHBondContact O-N 2.83Å; R79-S83 WeakPolarHBondContact O-CB 3.46Å; R79-S83 PolarHBondContact O-N 3.45Å |
| 80 | F | 43.3 | Very low | 41 | Very low | 116 Ų | 116 | 96.9 Ų | 96.9 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 177 | -175.7 | -102.6 | 0 | 0 | 0 | 112 | M72 G76 A77 R78 S83 L84 | M72-F80 HydrophobicContact CE-CB 4.24Å; G76-F80 WeakPolarHBondContact O-CB 3.32Å; G76-F80 PolarHBondContact O-N 3.36Å; A77-F80 PolarHBondContact O-N 3.13Å; R78-F80 PolarHBondContact O-N 3.23Å; F80-S83 PolarHBondContact O-N 3.01Å; F80-L84 HydrophobicContact CD1-CD1 3.88Å; F80-L84 HydrophobicContact CE1-CD1 3.44Å; F80-L84 VanDerWaalsContact CE1-CD1 3.44Å; F80-L84 HydrophobicContact CE1-CG 4.43Å; F80-L84 HydrophobicContact CZ-CD1 3.92Å; F80-L84 PolarHBondContact O-N 3.01Å |
| 81 | I | 47.3 | Very low | 41.6 | Very low | 94 Ų | 94 | 94.7 Ų | 94.7 | 48% | 0.482 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.5 | -45.5 | 177.9 | -66.9 | 166.7 | 0 | 0 | 0 | 110.6 | A77 R78 S83 L84 I85 | A77-I81 WeakPolarHBondContact O-CB 3.4Å; A77-I81 VanDerWaalsContact O-CG1 3.26Å; A77-I81 WeakPolarHBondContact O-CG1 3.34Å; A77-I81 PolarHBondContact O-N 2.84Å; R78-I81 PolarHBondContact O-N 2.93Å; I81-S83 VanDerWaalsContact C-N 3.28Å; I81-S83 PolarHBondContact O-N 3.07Å; I81-L84 PolarHBondContact O-N 3.4Å; I81-L84 VanDerWaalsContact O-N 3.14Å; I81-I85 HydrophobicContact CG2-CD1 3.75Å; I81-I85 HydrophobicContact CG2-CG1 4.37Å; I81-I85 VanDerWaalsContact O-CG1 3.31Å; I81-I85 WeakPolarHBondContact O-CG1 3.46Å; I81-I85 PolarHBondContact O-N 3.42Å |
| 82 | L | 51.2 | Low | 42.2 | Very low | 113 Ų | 113 | 97.7 Ų | 97.7 | 59% | 0.592 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61 | -40.4 | 176.2 | -146 | 86.9 | 0 | 0 | 0 | 110.6 | R78 L84 I85 V86 | R78-L82 VanDerWaalsContact O-CB 3.23Å; R78-L82 WeakPolarHBondContact O-CB 3.44Å; R78-L82 PolarHBondContact O-N 2.94Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 3.13Å; L82-I85 PolarHBondContact O-N 3.29Å; L82-V86 WeakPolarHBondContact O-CB 3.32Å; L82-V86 WeakPolarHBondContact O-CG2 3.44Å; L82-V86 PolarHBondContact O-N 2.88Å |
| 83 | S | 49.8 | Very low | 43.2 | Very low | 64 Ų | 64 | 95.2 Ų | 95.2 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.4 | -34.4 | 177 | -164 | 0 | 0 | 0 | 0 | 112.4 | R79 F80 I81 F87 | R79-S83 WeakPolarHBondContact O-CB 3.46Å; R79-S83 PolarHBondContact O-N 3.45Å; F80-S83 PolarHBondContact O-N 3.01Å; I81-S83 VanDerWaalsContact C-N 3.28Å; I81-S83 PolarHBondContact O-N 3.07Å; S83-F87 WeakPolarHBondContact O-CB 3.32Å; S83-F87 PolarHBondContact O-N 3.4Å |
| 84 | L | 49 | Very low | 43.8 | Very low | 87 Ų | 87 | 96 Ų | 96 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.1 | -37.5 | 172.4 | -82 | 170.3 | 0 | 0 | 0 | 112.5 | F80 I81 L82 F87 A88 | F80-L84 HydrophobicContact CD1-CD1 3.88Å; F80-L84 HydrophobicContact CE1-CD1 3.44Å; F80-L84 VanDerWaalsContact CE1-CD1 3.44Å; F80-L84 HydrophobicContact CE1-CG 4.43Å; F80-L84 HydrophobicContact CZ-CD1 3.92Å; F80-L84 PolarHBondContact O-N 3.01Å; I81-L84 PolarHBondContact O-N 3.4Å; I81-L84 VanDerWaalsContact O-N 3.14Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 3.13Å; L84-F87 WeakPolarHBondContact O-CB 3.42Å; L84-F87 PolarHBondContact O-N 2.88Å; L84-A88 WeakPolarHBondContact O-CB 3.28Å; L84-A88 PolarHBondContact O-N 2.9Å |
| 85 | I | 50.1 | Low | 44 | Very low | 100 Ų | 100 | 98.5 Ų | 98.5 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.4 | -47.8 | 175.9 | -68.8 | 167.4 | 0 | 0 | 0 | 109.9 | I81 L82 F87 A88 W89 | I81-I85 HydrophobicContact CG2-CD1 3.75Å; I81-I85 HydrophobicContact CG2-CG1 4.37Å; I81-I85 VanDerWaalsContact O-CG1 3.31Å; I81-I85 WeakPolarHBondContact O-CG1 3.46Å; I81-I85 PolarHBondContact O-N 3.42Å; L82-I85 PolarHBondContact O-N 3.29Å; I85-F87 PolarHBondContact O-N 2.98Å; I85-A88 PolarHBondContact O-N 2.77Å; I85-A88 VanDerWaalsContact O-N 3.17Å; I85-W89 VanDerWaalsContact O-CB 3.31Å; I85-W89 WeakPolarHBondContact O-CB 3.37Å; I85-W89 PolarHBondContact O-N 3.4Å |
| 86 | V | 51.5 | Low | 44.5 | Very low | 74 Ų | 74 | 96.7 Ų | 96.7 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -36.8 | 174.7 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | L82 H90 | L82-V86 WeakPolarHBondContact O-CB 3.32Å; L82-V86 WeakPolarHBondContact O-CG2 3.44Å; L82-V86 PolarHBondContact O-N 2.88Å; V86-H90 WeakPolarHBondContact O-CB 3.5Å; V86-H90 PolarHBondContact O-N 3.01Å; V86-H90 PolarHBondContact O-ND1 3.15Å |
| 87 | F | 44.3 | Very low | 45 | Very low | 110 Ų | 110 | 99.5 Ų | 99.5 | 48% | 0.482 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 174 | -177.7 | -94.5 | 0 | 0 | 0 | 112.5 | S83 L84 I85 A91 F118 | S83-F87 WeakPolarHBondContact O-CB 3.32Å; S83-F87 PolarHBondContact O-N 3.4Å; L84-F87 WeakPolarHBondContact O-CB 3.42Å; L84-F87 PolarHBondContact O-N 2.88Å; I85-F87 PolarHBondContact O-N 2.98Å; F87-A91 WeakPolarHBondContact O-CB 3.27Å; F87-A91 PolarHBondContact O-N 3.47Å; F87-F118 HydrophobicContact CE2-CE2 4.29Å |
| 88 | A | 46.3 | Very low | 44.9 | Very low | 50 Ų | 50 | 104.8 Ų | 104.8 | 41% | 0.413 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L84 I85 A91 L92 | L84-A88 WeakPolarHBondContact O-CB 3.28Å; L84-A88 PolarHBondContact O-N 2.9Å; I85-A88 PolarHBondContact O-N 2.77Å; I85-A88 VanDerWaalsContact O-N 3.17Å; A88-A91 PolarHBondContact O-N 3.39Å; A88-L92 WeakPolarHBondContact O-CB 3.47Å; A88-L92 PolarHBondContact O-N 2.86Å |
| 89 | W | 45.7 | Very low | 45.4 | Very low | 184 Ų | 184 | 103.5 Ų | 103.5 | 70% | 0.697 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.4 | -42.1 | 178.8 | -150.3 | 74.3 | 0 | 0 | 0 | 111.8 | I85 L92 A93 | I85-W89 VanDerWaalsContact O-CB 3.31Å; I85-W89 WeakPolarHBondContact O-CB 3.37Å; I85-W89 PolarHBondContact O-N 3.4Å; W89-L92 PolarHBondContact O-N 3.01Å; W89-A93 WeakPolarHBondContact O-CB 3.44Å; W89-A93 PolarHBondContact O-N 3.27Å |
| 90 | H | 40.1 | Very low | 45.3 | Very low | 83 Ų | 83 | 105.3 Ų | 105.3 | 38% | 0.384 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -72.9 | -33.5 | 173.9 | -81.1 | 73 | 0 | 0 | 0 | 112.7 | V86 L92 A93 L94 | V86-H90 WeakPolarHBondContact O-CB 3.5Å; V86-H90 PolarHBondContact O-N 3.01Å; V86-H90 PolarHBondContact O-ND1 3.15Å; H90-L92 VanDerWaalsContact C-N 3.29Å; H90-L92 PolarHBondContact O-N 3.25Å; H90-A93 PolarHBondContact O-N 3.06Å; H90-L94 VanDerWaalsContact O-CB 3.25Å; H90-L94 WeakPolarHBondContact O-CB 3.35Å; H90-L94 WeakPolarHBondContact O-CG 3.34Å; H90-L94 PolarHBondContact O-N 3.34Å |
| 91 | A | 45 | Very low | 45.1 | Very low | 42 Ų | 42 | 111.4 Ų | 111.4 | 35% | 0.347 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.7 | -37.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | F87 A88 M95 | F87-A91 WeakPolarHBondContact O-CB 3.27Å; F87-A91 PolarHBondContact O-N 3.47Å; A88-A91 PolarHBondContact O-N 3.39Å; A91-M95 WeakPolarHBondContact O-CG 3.37Å; A91-M95 PolarHBondContact O-N 2.81Å |
| 92 | L | 43.4 | Very low | 44.6 | Very low | 130 Ų | 130 | 115.8 Ų | 115.8 | 68% | 0.681 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.9 | -43.4 | 171.5 | -89.8 | 150.7 | 0 | 0 | 0 | 112 | A88 W89 H90 L94 M95 G96 | A88-L92 WeakPolarHBondContact O-CB 3.47Å; A88-L92 PolarHBondContact O-N 2.86Å; W89-L92 PolarHBondContact O-N 3.01Å; H90-L92 VanDerWaalsContact C-N 3.29Å; H90-L92 PolarHBondContact O-N 3.25Å; L92-L94 PolarHBondContact O-N 2.86Å; L92-M95 PolarHBondContact O-N 3.33Å; L92-G96 PolarHBondContact O-N 2.93Å |
| 93 | A | 50 | Low | 44 | Very low | 59 Ų | 59 | 118.2 Ų | 118.2 | 49% | 0.488 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.4 | -36.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W89 H90 M95 G96 P97 | W89-A93 WeakPolarHBondContact O-CB 3.44Å; W89-A93 PolarHBondContact O-N 3.27Å; H90-A93 PolarHBondContact O-N 3.06Å; A93-M95 VanDerWaalsContact C-N 3.32Å; A93-G96 PolarHBondContact O-N 3.46Å; A93-P97 VanDerWaalsContact O-CD 3.32Å; A93-P97 WeakPolarHBondContact O-CD 3.17Å |
| 94 | L | 44.4 | Very low | 43.6 | Very low | 100 Ų | 100 | 119.4 Ų | 119.4 | 52% | 0.524 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -74.4 | -20.3 | 176 | -81.1 | 160.5 | 0 | 0 | 0 | 113.1 | H90 L92 G96 | H90-L94 VanDerWaalsContact O-CB 3.25Å; H90-L94 WeakPolarHBondContact O-CB 3.35Å; H90-L94 WeakPolarHBondContact O-CG 3.34Å; H90-L94 PolarHBondContact O-N 3.34Å; L92-L94 PolarHBondContact O-N 2.86Å; L94-G96 VanDerWaalsContact C-N 3.31Å |
| 95 | M | 38.1 | Very low | 43.4 | Very low | 131 Ų | 131 | 119.7 Ų | 119.7 | 65% | 0.645 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -79.7 | -15.2 | 172.1 | -68.8 | -74.2 | -75.7 | 0 | 0 | 112.4 | A91 L92 A93 L98 | A91-M95 WeakPolarHBondContact O-CG 3.37Å; A91-M95 PolarHBondContact O-N 2.81Å; L92-M95 PolarHBondContact O-N 3.33Å; A93-M95 VanDerWaalsContact C-N 3.32Å; M95-L98 HydrophobicContact SD-CD1 3.8Å |
| 96 | G | 44.7 | Very low | 43 | Very low | 52 Ų | 52 | 120.6 Ų | 120.6 | 54% | 0.536 | 63% | 0.631 | S | S | . | * | G | 310 helix | trans | -63.1 | -45.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L92 A93 L94 L98 | L92-G96 PolarHBondContact O-N 2.93Å; A93-G96 PolarHBondContact O-N 3.46Å; L94-G96 VanDerWaalsContact C-N 3.31Å; G96-L98 PolarHBondContact O-N 2.81Å |
| 97 | P | 42.7 | Very low | 42.6 | Very low | 91 Ų | 91 | 123.2 Ų | 123.2 | 59% | 0.591 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -89.1 | 6.4 | -176.1 | -10.6 | 28.5 | 0 | 0 | 0 | 115.3 | A93 L99 R100 | A93-P97 VanDerWaalsContact O-CD 3.32Å; A93-P97 WeakPolarHBondContact O-CD 3.17Å; P97-L99 PolarHBondContact O-N 2.97Å; P97-R100 PolarHBondContact O-N 3.31Å |
| 98 | L | 37.3 | Very low | 42.6 | Very low | 136 Ų | 136 | 122.6 Ų | 122.6 | 71% | 0.712 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -63.9 | 2 | 170.3 | -98.5 | 160.8 | 0 | 0 | 0 | 113.6 | M95 G96 | M95-L98 HydrophobicContact SD-CD1 3.8Å; G96-L98 PolarHBondContact O-N 2.81Å |
| 99 | L | 49.2 | Very low | 42.4 | Very low | 161 Ų | 161 | 126.8 Ų | 126.8 | 84% | 0.843 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -101.8 | 3.9 | 175.6 | -83.3 | 162.2 | 0 | 0 | 0 | 115.4 | P97 | P97-L99 PolarHBondContact O-N 2.97Š|
| 100 | R | 37.2 | Very low | 42.1 | Very low | 234 Ų | 234 | 124.6 Ų | 124.6 | 88% | 0.883 | 65% | 0.649 | S | S | * | * | trans | -129.3 | 120.7 | 168.8 | -83.5 | -176.1 | -118.2 | -130.2 | -0.7 | 113.1 | P97 | P97-R100 PolarHBondContact O-N 3.31Š| ||
| 101 | R | 39.2 | Very low | 42.3 | Very low | 245 Ų | 245 | 124.7 Ų | 124.7 | 93% | 0.925 | 65% | 0.651 | S | S | * | * | trans | -97.7 | 87.8 | -168.6 | -175.5 | -170.9 | -162.6 | 179.5 | 3.7 | 107.9 | ||||
| 102 | E | 38.5 | Very low | 42.3 | Very low | 185 Ų | 185 | 130 Ų | 130 | 86% | 0.864 | 66% | 0.662 | S | S | * | * | trans | 174.8 | 115.2 | 158.5 | -101.5 | 157.6 | -159.3 | 0 | 0 | 108.2 | ||||
| 103 | E | 37.3 | Very low | 41.9 | Very low | 164 Ų | 164 | 128.4 Ų | 128.4 | 77% | 0.766 | 65% | 0.654 | S | S | * | * | trans | 136 | 64.9 | 167.5 | -75.7 | -179.4 | -162.1 | 0 | 0 | 112.1 | ||||
| 104 | A | 41.8 | Very low | 41.3 | Very low | 89 Ų | 89 | 132 Ų | 132 | 74% | 0.736 | 66% | 0.655 | S | S | * | * | trans | -80.6 | -8.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 105 | S | 44.4 | Very low | 41.1 | Very low | 93 Ų | 93 | 130.1 Ų | 130.1 | 65% | 0.65 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -29.3 | -171.9 | 53.8 | 0 | 0 | 0 | 0 | 114.5 | T108 | S105-T108 PolarHBondContact O-OG1 3.08Š|
| 106 | N | 41.5 | Very low | 40.8 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -16.6 | 178.9 | -79.7 | -26.5 | 0 | 0 | 0 | 113.5 | ||
| 107 | F | 43.5 | Very low | 40.4 | Very low | 129 Ų | 129 | 132 Ų | 132 | 57% | 0.566 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.8 | -35 | -175.4 | -167.9 | -118.1 | 0 | 0 | 0 | 113.2 | I111 | F107-I111 HydrophobicContact CD1-CD1 3.43Å; F107-I111 VanDerWaalsContact CD1-CD1 3.43Å; F107-I111 HydrophobicContact CD2-CD1 4.43Å; F107-I111 HydrophobicContact CE1-CD1 3.25Å; F107-I111 HydrophobicContact CE1-CG1 4.43Å; F107-I111 HydrophobicContact CE2-CD1 4.27Å; F107-I111 HydrophobicContact CG-CD1 4.05Å; F107-I111 HydrophobicContact CZ-CD1 3.7Å; F107-I111 VanDerWaalsContact O-CG1 3.31Å; F107-I111 WeakPolarHBondContact O-CG1 3.45Å; F107-I111 PolarHBondContact O-N 3.12Å |
| 108 | T | 44.8 | Very low | 40.1 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 60% | 0.595 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.9 | -34.4 | -178.1 | 38.1 | 0 | 0 | 0 | 0 | 113.5 | S105 W112 | S105-T108 PolarHBondContact O-OG1 3.08Å; T108-W112 WeakPolarHBondContact O-CB 3.39Å; T108-W112 PolarHBondContact O-N 3.26Å; T108-W112 VanDerWaalsContact O-N 3.13Å |
| 109 | F | 40.9 | Very low | 39.9 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 61% | 0.61 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73.1 | -38.2 | -178.4 | -166.2 | -102.2 | 0 | 0 | 0 | 112.2 | W112 L113 | F109-W112 PolarHBondContact O-N 2.66Å; F109-L113 HydrophobicContact CE1-CD1 4.04Å; F109-L113 HydrophobicContact CZ-CD1 4.23Å; F109-L113 PolarHBondContact O-N 3.29Å |
| 110 | Q | 40.2 | Very low | 38.8 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 65% | 0.645 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.5 | -38.6 | 175.2 | -82.8 | -165.2 | -16.2 | 0 | 0 | 112.7 | W112 L113 W114 | Q110-W112 VanDerWaalsContact C-N 3.27Å; Q110-W112 PolarHBondContact O-N 3.07Å; Q110-L113 PolarHBondContact O-N 3.43Å; Q110-W114 WeakPolarHBondContact O-CB 3.43Å; Q110-W114 PolarHBondContact O-N 2.57Å |
| 111 | I | 44.4 | Very low | 38.5 | Very low | 85 Ų | 85 | 129.1 Ų | 129.1 | 44% | 0.436 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -58.7 | -42.4 | 172.9 | -73.6 | 169.8 | 0 | 0 | 0 | 110.7 | F107 W114 S115 | F107-I111 HydrophobicContact CD1-CD1 3.43Å; F107-I111 VanDerWaalsContact CD1-CD1 3.43Å; F107-I111 HydrophobicContact CD2-CD1 4.43Å; F107-I111 HydrophobicContact CE1-CD1 3.25Å; F107-I111 HydrophobicContact CE1-CG1 4.43Å; F107-I111 HydrophobicContact CE2-CD1 4.27Å; F107-I111 HydrophobicContact CG-CD1 4.05Å; F107-I111 HydrophobicContact CZ-CD1 3.7Å; F107-I111 VanDerWaalsContact O-CG1 3.31Å; F107-I111 WeakPolarHBondContact O-CG1 3.45Å; F107-I111 PolarHBondContact O-N 3.12Å; I111-W114 PolarHBondContact O-N 3.17Å; I111-S115 PolarHBondContact O-N 3.06Å; I111-S115 PolarHBondContact O-OG 3.5Å |
| 112 | W | 45.3 | Very low | 37.9 | Very low | 152 Ų | 152 | 124.2 Ų | 124.2 | 58% | 0.576 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.3 | -45.9 | -179.5 | -173.5 | 80.5 | 0 | 0 | 0 | 112.5 | T108 F109 Q110 W114 S115 R116 | T108-W112 WeakPolarHBondContact O-CB 3.39Å; T108-W112 PolarHBondContact O-N 3.26Å; T108-W112 VanDerWaalsContact O-N 3.13Å; F109-W112 PolarHBondContact O-N 2.66Å; Q110-W112 VanDerWaalsContact C-N 3.27Å; Q110-W112 PolarHBondContact O-N 3.07Å; W112-W114 VanDerWaalsContact C-N 3.28Å; W112-W114 PolarHBondContact O-N 3.2Å; W112-S115 WeakPolarHBondContact CA-OG 2.97Å; W112-S115 PolarHBondContact O-N 3.33Å; W112-S115 PolarHBondContact O-OG 3.46Å; W112-R116 PolarHBondContact O-N 3.41Å |
| 113 | L | 34.1 | Very low | 37.2 | Very low | 98 Ų | 98 | 118.8 Ų | 118.8 | 51% | 0.513 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.5 | -38.1 | 173.3 | -117.2 | 87.8 | 0 | 0 | 0 | 111.6 | F109 Q110 R116 A117 | F109-L113 HydrophobicContact CE1-CD1 4.04Å; F109-L113 HydrophobicContact CZ-CD1 4.23Å; F109-L113 PolarHBondContact O-N 3.29Å; Q110-L113 PolarHBondContact O-N 3.43Å; L113-R116 PolarHBondContact O-N 2.85Å; L113-A117 PolarHBondContact O-N 3.22Å |
| 114 | W | 37.1 | Very low | 36.8 | Very low | 135 Ų | 135 | 116.3 Ų | 116.3 | 51% | 0.511 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.6 | -38.1 | 178.7 | -96.9 | 64.2 | 0 | 0 | 0 | 113.5 | Q110 I111 W112 R116 A117 F118 | Q110-W114 WeakPolarHBondContact O-CB 3.43Å; Q110-W114 PolarHBondContact O-N 2.57Å; I111-W114 PolarHBondContact O-N 3.17Å; W112-W114 VanDerWaalsContact C-N 3.28Å; W112-W114 PolarHBondContact O-N 3.2Å; W114-R116 PolarHBondContact O-N 3.45Å; W114-A117 PolarHBondContact O-N 3.02Å; W114-A117 VanDerWaalsContact O-N 3.12Å; W114-F118 WeakPolarHBondContact O-CB 3.05Å; W114-F118 PolarHBondContact O-N 3.43Å |
| 115 | S | 40.4 | Very low | 36.1 | Very low | 60 Ų | 60 | 117.4 Ų | 117.4 | 42% | 0.42 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.6 | -30.5 | 173.9 | 28.8 | 0 | 0 | 0 | 0 | 112.8 | I111 W112 F119 | I111-S115 PolarHBondContact O-N 3.06Å; I111-S115 PolarHBondContact O-OG 3.5Å; W112-S115 WeakPolarHBondContact CA-OG 2.97Å; W112-S115 PolarHBondContact O-N 3.33Å; W112-S115 PolarHBondContact O-OG 3.46Å; S115-F119 PolarHBondContact O-N 2.72Å |
| 116 | R | 32.6 | Very low | 35.6 | Very low | 174 Ų | 174 | 119.2 Ų | 119.2 | 66% | 0.657 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -74.4 | -38.9 | 172.2 | -92 | 173.8 | 73.1 | 110.2 | -8.1 | 113.1 | W112 L113 W114 F119 K120 | W112-R116 PolarHBondContact O-N 3.41Å; L113-R116 PolarHBondContact O-N 2.85Å; W114-R116 PolarHBondContact O-N 3.45Å; R116-F119 PolarHBondContact O-N 3.14Å; R116-K120 PolarHBondContact O-N 2.95Å |
| 117 | A | 35.2 | Very low | 35.5 | Very low | 49 Ų | 49 | 118.1 Ų | 118.1 | 41% | 0.405 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.1 | -41.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L113 W114 F119 K120 I121 | L113-A117 PolarHBondContact O-N 3.22Å; W114-A117 PolarHBondContact O-N 3.02Å; W114-A117 VanDerWaalsContact O-N 3.12Å; A117-F119 VanDerWaalsContact C-N 3.29Å; A117-F119 PolarHBondContact O-N 3.41Å; A117-K120 PolarHBondContact O-N 3.39Å; A117-K120 VanDerWaalsContact O-N 3.17Å; A117-I121 PolarHBondContact O-N 2.86Å |
| 118 | F | 37.3 | Very low | 35.4 | Very low | 108 Ų | 108 | 114.8 Ų | 114.8 | 47% | 0.474 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60 | -37.1 | 174.7 | -163.8 | -96.5 | 0 | 0 | 0 | 112.3 | F87 W114 | F87-F118 HydrophobicContact CE2-CE2 4.29Å; W114-F118 WeakPolarHBondContact O-CB 3.05Å; W114-F118 PolarHBondContact O-N 3.43Å |
| 119 | F | 32.3 | Very low | 35.4 | Very low | 164 Ų | 164 | 113.5 Ų | 113.5 | 72% | 0.719 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -71.4 | -32.7 | 176 | -116.4 | -88.9 | 0 | 0 | 0 | 113.4 | S115 R116 A117 | S115-F119 PolarHBondContact O-N 2.72Å; R116-F119 PolarHBondContact O-N 3.14Å; A117-F119 VanDerWaalsContact C-N 3.29Å; A117-F119 PolarHBondContact O-N 3.41Å |
| 120 | K | 26.6 | Very low | 35.6 | Very low | 168 Ų | 168 | 111.4 Ų | 111.4 | 73% | 0.73 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -71.8 | -35.2 | 177.9 | -97.5 | -175 | 173.7 | -175.8 | 0 | 113.4 | R116 A117 A123 | R116-K120 PolarHBondContact O-N 2.95Å; A117-K120 PolarHBondContact O-N 3.39Å; A117-K120 VanDerWaalsContact O-N 3.17Å; K120-A123 PolarHBondContact O-N 3.12Å |
| 121 | I | 31.4 | Very low | 35.8 | Very low | 121 Ų | 121 | 107.4 Ų | 107.4 | 62% | 0.621 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -75.5 | -30.6 | -176.6 | -66 | 169.6 | 0 | 0 | 0 | 112.2 | A117 A123 | A117-I121 PolarHBondContact O-N 2.86Å; I121-A123 PolarHBondContact O-N 3.16Å |
| 122 | K | 25.9 | Very low | 35.9 | Very low | 142 Ų | 142 | 108 Ų | 108 | 62% | 0.617 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20.9 | 174.3 | -96.1 | -172.5 | 175.5 | -179.4 | 0 | 114.2 | F126 | K122-F126 WeakPolarHBondContact O-CE2 3.2Š|
| 123 | A | 25.2 | Very low | 35.9 | Very low | 71 Ų | 71 | 104.4 Ų | 104.4 | 59% | 0.587 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -17.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | K120 I121 | K120-A123 PolarHBondContact O-N 3.12Å; I121-A123 PolarHBondContact O-N 3.16Å |
| 124 | C | 28.2 | Very low | 36.4 | Very low | 111 Ų | 111 | 101.3 Ų | 101.3 | 75% | 0.75 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -97.4 | -2.4 | -160.4 | -86.2 | 0 | 0 | 0 | 0 | 118.5 | ||
| 125 | T | 27.3 | Very low | 36.7 | Very low | 112 Ų | 112 | 96.7 Ų | 96.7 | 69% | 0.687 | 51% | 0.506 | S | S | * | . | trans | -149.7 | 74.6 | -179.5 | 45.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 126 | F | 34.2 | Very low | 36.8 | Very low | 131 Ų | 131 | 95.3 Ų | 95.3 | 58% | 0.575 | 50% | 0.495 | S | S | * | . | trans | -99.4 | 25.1 | -171.7 | -107.5 | -81.7 | 0 | 0 | 0 | 115.9 | K122 F272 | K122-F126 WeakPolarHBondContact O-CE2 3.2Å; F126-F272 HydrophobicContact CB-CE2 4.05Å | ||
| 127 | F | 37.9 | Very low | 37.5 | Very low | 97 Ų | 97 | 92.3 Ų | 92.3 | 43% | 0.425 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -98.4 | 104.9 | 154.9 | -103.8 | -77.3 | 0 | 0 | 0 | 107.2 | L69 P70 A129 F272 | L69-F127 HydrophobicContact CD2-CD1 3.47Å; L69-F127 VanDerWaalsContact CD2-CD1 3.47Å; L69-F127 HydrophobicContact CD2-CE1 3.18Å; L69-F127 HydrophobicContact CD2-CZ 4.14Å; P70-F127 HydrophobicContact CG-CB 3.8Å; P70-F127 HydrophobicContact CG-CD2 3.62Å; P70-F127 HydrophobicContact CG-CE2 4.39Å; P70-F127 HydrophobicContact CG-CG 3.8Å; F127-A129 PolarHBondContact O-N 3.35Å; F127-F272 HydrophobicContact CD2-CE1 4.38Å; F127-F272 HydrophobicContact CD2-CZ 4.3Å; F127-F272 AromaticContact CE2-CE1 3.91Å; F127-F272 HydrophobicContact CE2-CE1 3.91Å; F127-F272 HydrophobicContact CE2-CZ 4.16Å; F127-F272 HydrophobicContact CZ-CE1 4.08Å |
| 128 | S | 42.7 | Very low | 37.8 | Very low | 59 Ų | 59 | 91.9 Ų | 91.9 | 41% | 0.413 | 49% | 0.486 | S | S | . | . | trans | -80.4 | 111.2 | -173 | -140.8 | 0 | 0 | 0 | 0 | 110.1 | W130 F131 | S128-W130 VanDerWaalsContact CB-NE1 3.29Å; S128-W130 PolarHBondContact O-N 3.14Å; S128-W130 PolarHBondContact OG-NE1 3.27Å; S128-W130 VanDerWaalsContact OG-NE1 3.09Å; S128-F131 PolarHBondContact O-N 2.91Å | ||
| 129 | A | 43.4 | Very low | 38.5 | Very low | 70 Ų | 70 | 87 Ų | 87 | 58% | 0.579 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -50 | -24.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | F127 F131 R132 A133 | F127-A129 PolarHBondContact O-N 3.35Å; A129-F131 VanDerWaalsContact C-N 3.27Å; A129-F131 PolarHBondContact O-N 2.75Å; A129-R132 PolarHBondContact O-N 3.3Å; A129-A133 PolarHBondContact O-N 3.21Å |
| 130 | W | 46.3 | Very low | 39.9 | Very low | 94 Ų | 94 | 80 Ų | 80 | 36% | 0.356 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.2 | -29.6 | 177 | 74.5 | -101.3 | 0 | 0 | 0 | 113.1 | S128 A133 I134 M261 V265 | S128-W130 VanDerWaalsContact CB-NE1 3.29Å; S128-W130 PolarHBondContact O-N 3.14Å; S128-W130 PolarHBondContact OG-NE1 3.27Å; S128-W130 VanDerWaalsContact OG-NE1 3.09Å; W130-A133 PolarHBondContact O-N 3.35Å; W130-I134 HydrophobicContact CE3-CD1 3.44Å; W130-I134 VanDerWaalsContact CE3-CD1 3.44Å; W130-I134 HydrophobicContact CE3-CG1 4.4Å; W130-I134 HydrophobicContact CZ3-CD1 3.66Å; W130-I134 WeakPolarHBondContact O-CG1 3.42Å; W130-I134 PolarHBondContact O-N 3.04Å; W130-M261 HydrophobicContact CE3-CE 4.26Å; W130-M261 HydrophobicContact CE3-SD 4.33Å; W130-M261 HydrophobicContact CH2-CE 3.86Å; W130-M261 HydrophobicContact CH2-SD 4.38Å; W130-M261 HydrophobicContact CZ3-CE 3.26Å; W130-M261 HydrophobicContact CZ3-SD 3.73Å; W130-V265 HydrophobicContact CH2-CG2 3.73Å; W130-V265 HydrophobicContact CZ3-CG2 4.41Å |
| 131 | F | 44.9 | Very low | 42.1 | Very low | 55 Ų | 55 | 76.5 Ų | 76.5 | 24% | 0.241 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -69.8 | -35.9 | 179.7 | -168 | -99.8 | 0 | 0 | 0 | 111.4 | S128 A129 I134 L135 V265 | S128-F131 PolarHBondContact O-N 2.91Å; A129-F131 VanDerWaalsContact C-N 3.27Å; A129-F131 PolarHBondContact O-N 2.75Å; F131-I134 PolarHBondContact O-N 3.49Å; F131-L135 HydrophobicContact CD1-CD1 4.04Å; F131-L135 HydrophobicContact CE1-CD1 3.46Å; F131-L135 VanDerWaalsContact CE1-CD1 3.46Å; F131-L135 HydrophobicContact CZ-CD1 3.8Å; F131-V265 HydrophobicContact CE2-CG1 4.21Å; F131-V265 HydrophobicContact CE2-CG2 4.47Å |
| 132 | R | 44.5 | Very low | 44.5 | Very low | 96 Ų | 96 | 73 Ų | 73 | 36% | 0.362 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70.5 | -32.4 | 172.1 | -165.8 | 173.4 | 177.9 | 125.5 | 7.3 | 111.9 | L69 A129 I134 D137 M140 | L69-R132 HydrophobicContact CD1-CB 4.21Å; L69-R132 HydrophobicContact CD1-CG 4.03Å; A129-R132 PolarHBondContact O-N 3.3Å; R132-I134 PolarHBondContact O-N 2.98Å; R132-D137 IonicContact NH2-OD1 2.7Å; R132-M140 HydrophobicContact CG-CE 4.05Å; R132-M140 VanDerWaalsContact CZ-CE 3.49Å |
| 133 | A | 46 | Very low | 47.4 | Very low | 77 Ų | 77 | 67 Ų | 67 | 64% | 0.636 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -13.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A129 W130 | A129-A133 PolarHBondContact O-N 3.21Å; W130-A133 PolarHBondContact O-N 3.35Å |
| 134 | I | 44.3 | Very low | 50.6 | Low | 34 Ų | 34 | 64.2 Ų | 64.2 | 17% | 0.174 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -22.8 | -177.2 | -66.6 | 179.6 | 0 | 0 | 0 | 112.5 | W130 F131 R132 M261 F894 | W130-I134 HydrophobicContact CE3-CD1 3.44Å; W130-I134 VanDerWaalsContact CE3-CD1 3.44Å; W130-I134 HydrophobicContact CE3-CG1 4.4Å; W130-I134 HydrophobicContact CZ3-CD1 3.66Å; W130-I134 WeakPolarHBondContact O-CG1 3.42Å; W130-I134 PolarHBondContact O-N 3.04Å; F131-I134 PolarHBondContact O-N 3.49Å; R132-I134 PolarHBondContact O-N 2.98Å; I134-M261 HydrophobicContact CD1-CE 3.48Å; I134-M261 VanDerWaalsContact CD1-CE 3.48Å; I134-M261 HydrophobicContact CD1-SD 3.33Å; I134-M261 WeakPolarHBondContact CD1-SD 3.37Å; I134-M261 HydrophobicContact CG2-CE 4.34Å; I134-F894 HydrophobicContact CG1-CE2 3.87Å; I134-F894 HydrophobicContact CG2-CD2 4.28Å; I134-F894 HydrophobicContact CG2-CE2 4.46Å |
| 135 | L | 43.2 | Very low | 53.7 | Low | 37 Ų | 37 | 61.8 Ų | 61.8 | 19% | 0.194 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -102.4 | 123 | -178.8 | -61.8 | -178.1 | 0 | 0 | 0 | 109.6 | F131 A139 I162 | F131-L135 HydrophobicContact CD1-CD1 4.04Å; F131-L135 HydrophobicContact CE1-CD1 3.46Å; F131-L135 VanDerWaalsContact CE1-CD1 3.46Å; F131-L135 HydrophobicContact CZ-CD1 3.8Å; L135-A139 HydrophobicContact CB-CB 4.32Å; L135-I162 HydrophobicContact CD1-CD1 4.33Å; L135-I162 HydrophobicContact CD2-CD1 3.36Å; L135-I162 HydrophobicContact CD2-CG1 4.08Å; L135-I162 HydrophobicContact CG-CD1 4.49Å |
| 136 | P | 43.4 | Very low | 56.8 | Low | 31 Ų | 31 | 56.9 Ų | 56.9 | 20% | 0.201 | 30% | 0.3 | C | S | . | . | trans | -59.4 | 152.2 | 174.7 | 22.3 | -28.9 | 0 | 0 | 0 | 110.3 | S138 A139 | P136-S138 PolarHBondContact O-N 3.46Å; P136-A139 HydrophobicContact CG-CB 3.84Å; P136-A139 WeakPolarHBondContact O-CA 3.3Å; P136-A139 WeakPolarHBondContact O-CB 3.34Å; P136-A139 PolarHBondContact O-N 3.44Å | ||
| 137 | D | 46.6 | Very low | 59.7 | Low | 112 Ų | 112 | 53.1 Ų | 53.1 | 60% | 0.599 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -56.8 | -26.4 | -179 | -67.8 | -44.8 | 0 | 0 | 0 | 112.2 | R132 M140 | R132-D137 IonicContact NH2-OD1 2.7Å; D137-M140 WeakPolarHBondContact O-CG 3.48Å |
| 138 | S | 42.5 | Very low | 62.3 | Low | 39 Ų | 39 | 49.9 Ų | 49.9 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -73.7 | -20.2 | 173.2 | 60.2 | 0 | 0 | 0 | 0 | 115 | P136 M140 F161 | P136-S138 PolarHBondContact O-N 3.46Å; S138-M140 PolarHBondContact O-N 3.05Å; S138-F161 WeakPolarHBondContact O-CD2 3.25Å; S138-F161 WeakPolarHBondContact O-CE2 3.37Å; S138-F161 VanDerWaalsContact O-CZ 3.29Å; S138-F161 WeakPolarHBondContact O-CZ 3.26Å |
| 139 | A | 51.1 | Low | 64.6 | Low | 5 Ų | 5 | 48.1 Ų | 48.1 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -77.9 | 5.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L135 P136 K141 F161 | L135-A139 HydrophobicContact CB-CB 4.32Å; P136-A139 HydrophobicContact CG-CB 3.84Å; P136-A139 WeakPolarHBondContact O-CA 3.3Å; P136-A139 WeakPolarHBondContact O-CB 3.34Å; P136-A139 PolarHBondContact O-N 3.44Å; A139-K141 PolarHBondContact O-N 3.02Å; A139-F161 HydrophobicContact CB-CB 3.75Å; A139-F161 HydrophobicContact CB-CD2 4.29Å; A139-F161 HydrophobicContact CB-CG 4.1Å |
| 140 | M | 62.5 | Low | 66.8 | Low | 17 Ų | 17 | 46.1 Ų | 46.1 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | trans | -78.8 | 31.5 | -179.8 | -62.6 | -149.9 | -179.2 | 0 | 0 | 114.2 | I65 L69 R132 D137 S138 | I65-M140 HydrophobicContact CB-CB 4.18Å; I65-M140 PolarHBondContact N-O 2.92Å; L69-M140 HydrophobicContact CD1-CE 4.13Å; R132-M140 HydrophobicContact CG-CE 4.05Å; R132-M140 VanDerWaalsContact CZ-CE 3.49Å; D137-M140 WeakPolarHBondContact O-CG 3.48Å; S138-M140 PolarHBondContact O-N 3.05Å | ||
| 141 | K | 72.2 | Confident | 69.1 | Low | 96 Ų | 96 | 45 Ų | 45 | 42% | 0.417 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 122.6 | 174.4 | -64.8 | -174.3 | -178.8 | -173.9 | 0 | 110.4 | I62 Y63 H64 A139 C159 P160 | I62-K141 HydrophobicContact CG2-CB 4.37Å; I62-K141 HydrophobicContact CG2-CD 4.48Å; Y63-K141 VanDerWaalsContact O-CA 3.3Å; Y63-K141 WeakPolarHBondContact O-CA 3.22Å; H64-K141 WeakPolarHBondContact ND1-CE 3.14Å; A139-K141 PolarHBondContact O-N 3.02Å; K141-C159 PolarHBondContact O-SG 3.27Å; K141-C159 VanDerWaalsContact O-SG 3.4Å; K141-P160 WeakPolarHBondContact O-CD 3.28Å |
| 142 | I | 82 | Confident | 71.4 | Confident | 47 Ų | 47 | 46 Ų | 46 | 24% | 0.241 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 128.8 | 170 | -63 | 178 | 0 | 0 | 0 | 108.1 | I62 Y63 I65 F157 | I62-I142 WeakPolarHBondContact CA-O 3.26Å; Y63-I142 PolarHBondContact N-O 3.03Å; Y63-I142 PolarHBondContact O-N 2.98Å; I65-I142 HydrophobicContact CD1-CB 4.42Å; I65-I142 HydrophobicContact CD1-CD1 3.41Å; I65-I142 VanDerWaalsContact CD1-CD1 3.41Å; I65-I142 HydrophobicContact CD1-CG1 3.64Å; I142-F157 HydrophobicContact CG2-CB 4.19Å; I142-F157 HydrophobicContact CG2-CD1 3.86Å |
| 143 | V | 86.3 | Confident | 73.7 | Confident | 16 Ų | 16 | 42.1 Ų | 42.1 | 10% | 0.097 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126.2 | 174.6 | 177.1 | 0 | 0 | 0 | 0 | 108.5 | F60 K61 E145 F157 S158 P160 | F60-V143 HydrophobicContact CD2-CG1 4.3Å; F60-V143 HydrophobicContact CE1-CG1 4.12Å; F60-V143 HydrophobicContact CE2-CG1 3.48Å; F60-V143 VanDerWaalsContact CE2-CG1 3.48Å; F60-V143 HydrophobicContact CZ-CG1 3.39Å; K61-V143 WeakPolarHBondContact O-CA 3.08Å; V143-E145 HydrophobicContact CG1-CG 4.45Å; V143-F157 WeakPolarHBondContact O-CA 3.31Å; V143-S158 PolarHBondContact N-O 3.28Å; V143-S158 PolarHBondContact O-N 3.2Å; V143-P160 HydrophobicContact CG2-CG 3.59Å |
| 144 | E | 92.4 | Very high | 76.1 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 6% | 0.061 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123.6 | 172.6 | -177.1 | -167.2 | 136 | 0 | 0 | 109.8 | F60 K61 Y63 S146 T155 R156 F157 | F60-E144 CarbonylContact C-O 3.56Å; F60-E144 WeakPolarHBondContact CA-O 3.32Å; K61-E144 HydrophobicContact CB-CB 4.29Å; K61-E144 PolarHBondContact N-O 3.34Å; K61-E144 PolarHBondContact O-N 3.49Å; Y63-E144 HydrophobicContact CD2-CB 4.41Å; Y63-E144 HydrophobicContact CE2-CB 3.91Å; Y63-E144 WeakPolarHBondContact CE2-OE2 3.34Å; Y63-E144 PolarHBondContact OH-OE2 2.99Å; E144-S146 WeakPolarHBondContact OE1-CB 3.46Å; E144-S146 PolarHBondContact OE1-OG 3.33Å; E144-T155 HydrophobicContact CG-CG2 3.53Å; E144-R156 CarbonylContact C-O 3.46Å; E144-R156 WeakPolarHBondContact CA-O 3.47Å; E144-F157 HydrophobicContact CB-CD1 3.91Å; E144-F157 HydrophobicContact CB-CE1 3.76Å; E144-F157 HydrophobicContact CG-CD1 4.05Å; E144-F157 HydrophobicContact CG-CE1 3.58Å; E144-F157 HydrophobicContact CG-CZ 3.93Å; E144-F157 WeakPolarHBondContact OE2-CE1 3.46Å |
| 145 | E | 93.6 | Very high | 78.4 | Confident | 60 Ų | 60 | 39.3 Ų | 39.3 | 28% | 0.28 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 121.2 | 166.5 | -58.8 | -173.8 | 138.3 | 0 | 0 | 108.9 | Y58 F60 V143 W147 T155 R156 | Y58-E145 HydrophobicContact CE2-CB 4.35Å; F60-E145 HydrophobicContact CD2-CG 3.74Å; F60-E145 HydrophobicContact CE2-CG 4Å; V143-E145 HydrophobicContact CG1-CG 4.45Å; E145-W147 HydrophobicContact CB-CH2 3.46Å; E145-W147 VanDerWaalsContact CB-CH2 3.46Å; E145-W147 HydrophobicContact CB-CZ2 4.15Å; E145-W147 HydrophobicContact CB-CZ3 3.76Å; E145-W147 HydrophobicContact CG-CH2 4.42Å; E145-W147 WeakPolarHBondContact O-CZ3 3.33Å; E145-T155 CarbonylContact O-C 3.55Å; E145-T155 WeakPolarHBondContact O-CA 3.25Å; E145-R156 PolarHBondContact N-O 2.99Å; E145-R156 PolarHBondContact O-N 2.95Å |
| 146 | S | 93.4 | Very high | 80.9 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 6% | 0.056 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 120.6 | -171.6 | -91.2 | 0 | 0 | 0 | 0 | 110.8 | Y58 T59 E144 K154 T155 | Y58-S146 CarbonylContact C-O 3.55Å; Y58-S146 WeakPolarHBondContact CA-O 3.43Å; T59-S146 PolarHBondContact N-O 3.27Å; T59-S146 PolarHBondContact O-N 3.47Å; T59-S146 WeakPolarHBondContact OG1-CB 3.49Å; T59-S146 PolarHBondContact OG1-O 3.32Å; E144-S146 WeakPolarHBondContact OE1-CB 3.46Å; E144-S146 PolarHBondContact OE1-OG 3.33Å; S146-K154 CarbonylContact C-O 3.59Å; S146-K154 WeakPolarHBondContact CA-O 3.48Å; S146-T155 WeakPolarHBondContact OG-CB 3.2Å; S146-T155 WeakPolarHBondContact OG-CG2 3.46Å; S146-T155 PolarHBondContact OG-OG1 3.26Å |
| 147 | W | 94.3 | Very high | 83.1 | Confident | 53 Ų | 53 | 42.2 Ų | 42.2 | 20% | 0.201 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 107.2 | 174.9 | -60.9 | -92.8 | 0 | 0 | 0 | 109.6 | Y48 Y58 E145 T153 K154 R156 | Y48-W147 HydrophobicContact CE1-CB 4.12Å; Y58-W147 AromaticContact CD2-CD1 3.66Å; Y58-W147 HydrophobicContact CD2-CD2 4.3Å; Y58-W147 AromaticContact CD2-CE2 3.84Å; Y58-W147 HydrophobicContact CD2-CG 4.2Å; Y58-W147 HydrophobicContact CD2-CZ2 4.44Å; Y58-W147 AromaticContact CD2-NE1 3.4Å; Y58-W147 HydrophobicContact CE2-CD2 4.42Å; Y58-W147 AromaticContact CE2-CE2 3.71Å; Y58-W147 AromaticContact CE2-CZ2 3.85Å; Y58-W147 HydrophobicContact CE2-CZ2 3.85Å; Y58-W147 AromaticContact CE2-NE1 3.66Å; E145-W147 HydrophobicContact CB-CH2 3.46Å; E145-W147 VanDerWaalsContact CB-CH2 3.46Å; E145-W147 HydrophobicContact CB-CZ2 4.15Å; E145-W147 HydrophobicContact CB-CZ3 3.76Å; E145-W147 HydrophobicContact CG-CH2 4.42Å; E145-W147 WeakPolarHBondContact O-CZ3 3.33Å; W147-T153 WeakPolarHBondContact O-CA 3.5Å; W147-K154 HydrophobicContact CE3-CG 4.36Å; W147-K154 PolarHBondContact N-O 3.45Å; W147-K154 PolarHBondContact O-N 2.85Å; W147-R156 HydrophobicContact CZ3-CB 4.19Å; W147-R156 HydrophobicContact CZ3-CG 3.93Å |
| 148 | N | 92 | Very high | 84.8 | Confident | 28 Ų | 28 | 39 Ų | 39 | 15% | 0.15 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 97.6 | -178.3 | -172.9 | -5.7 | 0 | 0 | 0 | 111.1 | G56 Q57 Y150 T153 | G56-N148 CarbonylContact C-O 3.53Å; G56-N148 WeakPolarHBondContact CA-O 3.5Å; Q57-N148 PolarHBondContact N-O 3Å; Q57-N148 PolarHBondContact O-N 2.63Å; N148-Y150 PolarHBondContact OD1-N 3.07Å; N148-T153 HydrophobicContact CB-CG2 4.16Å; N148-T153 PolarHBondContact OD1-OG1 2.91Å |
| 149 | A | 91.3 | Very high | 86.3 | Confident | 22 Ų | 22 | 37.5 Ų | 37.5 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 58.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y152 | A149-Y152 CarbonylContact C-O 3.49Å; A149-Y152 WeakPolarHBondContact CA-O 3.48Å; A149-Y152 PolarHBondContact N-O 3.29Å; A149-Y152 PolarHBondContact O-N 2.88Å; A149-Y152 VanDerWaalsContact O-O 3.1Å |
| 150 | Y | 90.9 | Very high | 87 | Confident | 29 Ų | 29 | 40.4 Ų | 40.4 | 11% | 0.114 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | 131.2 | -172.9 | -164.5 | -93.1 | 0 | 0 | 0 | 112.8 | V14 R18 N148 Y152 Y173 | V14-Y150 HydrophobicContact CG1-CE1 3.63Å; V14-Y150 VanDerWaalsContact CG1-OH 3.29Å; V14-Y150 WeakPolarHBondContact CG1-OH 3.27Å; V14-Y150 PolarHBondContact O-OH 3.16Å; R18-Y150 HydrophobicContact CB-CD1 3.97Å; R18-Y150 HydrophobicContact CB-CE1 3.61Å; R18-Y150 HydrophobicContact CB-CE2 4.4Å; R18-Y150 HydrophobicContact CG-CD1 3.62Å; R18-Y150 HydrophobicContact CG-CD2 4.39Å; R18-Y150 HydrophobicContact CG-CE1 3.84Å; R18-Y150 HydrophobicContact CG-CG 3.91Å; N148-Y150 PolarHBondContact OD1-N 3.07Å; Y150-Y152 VanDerWaalsContact CA-N 3.34Å; Y150-Y152 PolarHBondContact N-O 2.72Å; Y150-Y173 AromaticContact CD2-CD2 3.71Å; Y150-Y173 HydrophobicContact CD2-CD2 3.71Å; Y150-Y173 AromaticContact CD2-CE2 3.73Å; Y150-Y173 HydrophobicContact CD2-CE2 3.73Å; Y150-Y173 HydrophobicContact CE2-CD1 4.45Å; Y150-Y173 AromaticContact CE2-CD2 3.15Å; Y150-Y173 HydrophobicContact CE2-CD2 3.15Å; Y150-Y173 AromaticContact CE2-CE2 3.37Å; Y150-Y173 HydrophobicContact CE2-CE2 3.37Å; Y150-Y173 AromaticContact CE2-CG 3.75Å; Y150-Y173 HydrophobicContact CE2-CG 3.75Å; Y150-Y173 AromaticContact CZ-CD2 3.81Å |
| 151 | P | 93.3 | Very high | 87 | Confident | 69 Ų | 69 | 42.7 Ų | 42.7 | 45% | 0.448 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -88.3 | 22.6 | 15.7 | 36.5 | -37.5 | 0 | 0 | 0 | 115.6 | V14 Y173 | V14-P151 HydrophobicContact CG1-CB 4.28Å; P151-Y173 HydrophobicContact CB-CD2 4.42Å; P151-Y173 VanDerWaalsContact O-CD2 3.24Å; P151-Y173 WeakPolarHBondContact O-CD2 3.42Å; P151-Y173 PolarHBondContact O-N 2.95Å; P151-Y173 VanDerWaalsContact O-N 3.13Å |
| 152 | Y | 94.1 | Very high | 86.6 | Confident | 77 Ų | 77 | 38.8 Ų | 38.8 | 30% | 0.302 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 137.9 | 169.7 | 175.5 | -111.1 | 0 | 0 | 0 | 111.4 | A149 Y150 K154 E170 T171 K172 | A149-Y152 CarbonylContact C-O 3.49Å; A149-Y152 WeakPolarHBondContact CA-O 3.48Å; A149-Y152 PolarHBondContact N-O 3.29Å; A149-Y152 PolarHBondContact O-N 2.88Å; A149-Y152 VanDerWaalsContact O-O 3.1Å; Y150-Y152 VanDerWaalsContact CA-N 3.34Å; Y150-Y152 PolarHBondContact N-O 2.72Å; Y152-K154 HydrophobicContact CE1-CB 4.25Å; Y152-E170 HydrophobicContact CE2-CB 4.45Å; Y152-T171 WeakPolarHBondContact CA-O 3.39Å; Y152-T171 WeakPolarHBondContact CD2-O 3.41Å; Y152-K172 HydrophobicContact CD2-CG 3.91Å |
| 153 | T | 93.1 | Very high | 85.8 | Confident | 14 Ų | 14 | 42.4 Ų | 42.4 | 9% | 0.086 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 135.1 | 175.6 | -51.9 | 0 | 0 | 0 | 0 | 109.9 | W147 N148 E170 T171 | W147-T153 WeakPolarHBondContact O-CA 3.5Å; N148-T153 HydrophobicContact CB-CG2 4.16Å; N148-T153 PolarHBondContact OD1-OG1 2.91Å; T153-E170 CarbonylContact O-C 3.56Å; T153-T171 PolarHBondContact N-O 3.46Å; T153-T171 PolarHBondContact O-N 3.29Å |
| 154 | K | 95 | Very high | 85.2 | Confident | 37 Ų | 37 | 46.8 Ų | 46.8 | 16% | 0.161 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127.8 | 175.5 | -178.7 | 163 | 178.8 | 137.5 | 0 | 109.3 | S146 W147 Y152 E168 E170 | S146-K154 CarbonylContact C-O 3.59Å; S146-K154 WeakPolarHBondContact CA-O 3.48Å; W147-K154 HydrophobicContact CE3-CG 4.36Å; W147-K154 PolarHBondContact N-O 3.45Å; W147-K154 PolarHBondContact O-N 2.85Å; Y152-K154 HydrophobicContact CE1-CB 4.25Å; K154-E168 VanDerWaalsContact CE-CD 3.45Å; K154-E168 WeakPolarHBondContact CE-OE2 3.34Å; K154-E168 VanDerWaalsContact NZ-CD 3.29Å; K154-E168 IonicContact NZ-OE1 3.07Å; K154-E168 PolarHBondContact NZ-OE1 3.08Å; K154-E168 IonicContact NZ-OE2 2.75Å; K154-E168 PolarHBondContact NZ-OE2 2.79Å; K154-E170 HydrophobicContact CD-CG 4.17Å; K154-E170 HydrophobicContact CG-CG 4.11Å; K154-E170 IonicContact NZ-OE1 2.7Å; K154-E170 PolarHBondContact NZ-OE1 3.21Å |
| 155 | T | 94.4 | Very high | 84.6 | Confident | 16 Ų | 16 | 47.6 Ų | 47.6 | 10% | 0.098 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 135 | 179.7 | -59.3 | 0 | 0 | 0 | 0 | 109.9 | E144 E145 S146 F157 E168 V169 | E144-T155 HydrophobicContact CG-CG2 3.53Å; E145-T155 CarbonylContact O-C 3.55Å; E145-T155 WeakPolarHBondContact O-CA 3.25Å; S146-T155 WeakPolarHBondContact OG-CB 3.2Å; S146-T155 WeakPolarHBondContact OG-CG2 3.46Å; S146-T155 PolarHBondContact OG-OG1 3.26Å; T155-F157 HydrophobicContact CG2-CD2 3.92Å; T155-F157 HydrophobicContact CG2-CE1 4.4Å; T155-F157 HydrophobicContact CG2-CE2 3.33Å; T155-F157 HydrophobicContact CG2-CZ 3.62Å; T155-E168 WeakPolarHBondContact O-CA 3.5Å; T155-V169 PolarHBondContact N-O 3.34Å; T155-V169 PolarHBondContact O-N 2.97Å |
| 156 | R | 93.8 | Very high | 84.1 | Confident | 86 Ų | 86 | 48.4 Ų | 48.4 | 33% | 0.325 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 126.7 | 176.3 | -71.7 | 178.2 | 174.2 | 164.6 | -2.1 | 109.5 | E144 E145 W147 Y166 L167 E168 | E144-R156 CarbonylContact C-O 3.46Å; E144-R156 WeakPolarHBondContact CA-O 3.47Å; E145-R156 PolarHBondContact N-O 2.99Å; E145-R156 PolarHBondContact O-N 2.95Å; W147-R156 HydrophobicContact CZ3-CB 4.19Å; W147-R156 HydrophobicContact CZ3-CG 3.93Å; R156-Y166 PolarHBondContact NE-OH 3.47Å; R156-L167 WeakPolarHBondContact CA-O 3.23Å; R156-E168 HydrophobicContact CG-CG 4.08Å; R156-E168 IonicContact CZ-OE2 2.79Å; R156-E168 IonicContact NE-OE2 3.44Å; R156-E168 PolarHBondContact NE-OE2 3.27Å; R156-E168 IonicContact NH2-OE2 3.46Å; R156-E168 PolarHBondContact NH2-OE2 2.99Å |
| 157 | F | 90 | Very high | 84 | Confident | 42 Ų | 42 | 48.5 Ų | 48.5 | 18% | 0.184 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 128.3 | 171.1 | -62.1 | -88.9 | 0 | 0 | 0 | 109.1 | Y63 I142 V143 E144 T155 L167 V169 | Y63-F157 HydrophobicContact CE2-CE1 4.36Å; I142-F157 HydrophobicContact CG2-CB 4.19Å; I142-F157 HydrophobicContact CG2-CD1 3.86Å; V143-F157 WeakPolarHBondContact O-CA 3.31Å; E144-F157 HydrophobicContact CB-CD1 3.91Å; E144-F157 HydrophobicContact CB-CE1 3.76Å; E144-F157 HydrophobicContact CG-CD1 4.05Å; E144-F157 HydrophobicContact CG-CE1 3.58Å; E144-F157 HydrophobicContact CG-CZ 3.93Å; E144-F157 WeakPolarHBondContact OE2-CE1 3.46Å; T155-F157 HydrophobicContact CG2-CD2 3.92Å; T155-F157 HydrophobicContact CG2-CE1 4.4Å; T155-F157 HydrophobicContact CG2-CE2 3.33Å; T155-F157 HydrophobicContact CG2-CZ 3.62Å; F157-L167 HydrophobicContact CB-CB 4.08Å; F157-L167 HydrophobicContact CB-CD2 4.02Å; F157-L167 HydrophobicContact CB-CG 4.14Å; F157-L167 HydrophobicContact CD2-CD2 3.59Å; F157-L167 HydrophobicContact CD2-CG 3.79Å; F157-L167 HydrophobicContact CE2-CD2 4.32Å; F157-L167 HydrophobicContact CG-CD2 4.01Å; F157-L167 HydrophobicContact CG-CG 4.37Å; F157-L167 PolarHBondContact N-O 3.46Å; F157-L167 PolarHBondContact O-N 3.13Å; F157-L167 VanDerWaalsContact O-N 3.11Å; F157-V169 HydrophobicContact CE2-CG2 4.39Å |
| 158 | S | 82.4 | Confident | 84 | Confident | 46 Ų | 46 | 46.7 Ų | 46.7 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 151.8 | 173.2 | 63.6 | 0 | 0 | 0 | 0 | 109.7 | V143 | V143-S158 PolarHBondContact N-O 3.28Å; V143-S158 PolarHBondContact O-N 3.2Å |
| 159 | C | 74.3 | Confident | 84.2 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 117.6 | 169.2 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | K141 F161 I162 F165 | K141-C159 PolarHBondContact O-SG 3.27Å; K141-C159 VanDerWaalsContact O-SG 3.4Å; C159-F161 PolarHBondContact O-N 2.9Å; C159-I162 HydrophobicContact CB-CB 3.97Å; C159-I162 HydrophobicContact CB-CD1 4.09Å; C159-I162 HydrophobicContact CB-CG1 4.09Å; C159-I162 CarbonylContact O-C 2.98Å; C159-I162 PolarHBondContact O-N 3.33Å; C159-F165 HydrophobicContact CB-CD1 4.16Å |
| 160 | P | 66.8 | Low | 84.5 | Confident | 66 Ų | 66 | 46.1 Ų | 46.1 | 43% | 0.429 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -18.6 | -178.4 | -27.1 | 35 | 0 | 0 | 0 | 114.9 | K141 V143 | K141-P160 WeakPolarHBondContact O-CD 3.28Å; V143-P160 HydrophobicContact CG2-CG 3.59Å |
| 161 | F | 62 | Low | 84.8 | Confident | 65 Ų | 65 | 44.9 Ų | 44.9 | 29% | 0.285 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -13.4 | -179.9 | -62.6 | -85.2 | 0 | 0 | 0 | 113.3 | S138 A139 C159 V896 | S138-F161 WeakPolarHBondContact O-CD2 3.25Å; S138-F161 WeakPolarHBondContact O-CE2 3.37Å; S138-F161 VanDerWaalsContact O-CZ 3.29Å; S138-F161 WeakPolarHBondContact O-CZ 3.26Å; A139-F161 HydrophobicContact CB-CB 3.75Å; A139-F161 HydrophobicContact CB-CD2 4.29Å; A139-F161 HydrophobicContact CB-CG 4.1Å; C159-F161 PolarHBondContact O-N 2.9Å; F161-V896 VanDerWaalsContact O-CG1 3.28Å; F161-V896 WeakPolarHBondContact O-CG1 3.28Å |
| 162 | I | 64.2 | Low | 85 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 7% | 0.072 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 78.1 | -179.3 | -48.4 | 171.1 | 0 | 0 | 0 | 107.6 | L135 C159 K164 F165 F256 Y258 | L135-I162 HydrophobicContact CD1-CD1 4.33Å; L135-I162 HydrophobicContact CD2-CD1 3.36Å; L135-I162 HydrophobicContact CD2-CG1 4.08Å; L135-I162 HydrophobicContact CG-CD1 4.49Å; C159-I162 HydrophobicContact CB-CB 3.97Å; C159-I162 HydrophobicContact CB-CD1 4.09Å; C159-I162 HydrophobicContact CB-CG1 4.09Å; C159-I162 CarbonylContact O-C 2.98Å; C159-I162 PolarHBondContact O-N 3.33Å; I162-K164 PolarHBondContact O-N 2.95Å; I162-F165 HydrophobicContact CB-CB 3.95Å; I162-F165 HydrophobicContact CG2-CB 3.5Å; I162-F165 VanDerWaalsContact CG2-CB 3.5Å; I162-F165 PolarHBondContact O-N 2.95Å; I162-F256 HydrophobicContact CG2-CE2 4.25Å; I162-Y258 HydrophobicContact CG2-CD2 4.33Å; I162-Y258 HydrophobicContact CG2-CE2 3.32Å |
| 163 | D | 65.3 | Low | 85.1 | Confident | 123 Ų | 123 | 40.8 Ų | 40.8 | 66% | 0.658 | 20% | 0.198 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -57.2 | -19.4 | -178.3 | -65.3 | -9.6 | 0 | 0 | 0 | 113.1 | K865 | D163-K865 IonicContact OD2-NZ 2.8Å |
| 164 | K | 72.4 | Confident | 85.3 | Confident | 107 Ų | 107 | 43.3 Ų | 43.3 | 47% | 0.465 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 10 | 179.1 | -66.8 | -172 | -171.3 | 178.3 | 0 | 114.6 | I162 N257 Y258 | I162-K164 PolarHBondContact O-N 2.95Å; K164-N257 HydrophobicContact CB-CB 4.08Å; K164-N257 HydrophobicContact CD-CB 4.28Å; K164-N257 WeakPolarHBondContact CD-O 3.4Å; K164-N257 PolarHBondContact O-N 2.77Å; K164-Y258 HydrophobicContact CB-CD2 4.13Å; K164-Y258 HydrophobicContact CB-CE2 3.55Å |
| 165 | F | 80.1 | Confident | 85.3 | Confident | 30 Ų | 30 | 46.5 Ų | 46.5 | 13% | 0.132 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 124.6 | 169 | 172 | -107.2 | 0 | 0 | 0 | 109.7 | C159 I162 L167 V254 Q255 F256 | C159-F165 HydrophobicContact CB-CD1 4.16Å; I162-F165 HydrophobicContact CB-CB 3.95Å; I162-F165 HydrophobicContact CG2-CB 3.5Å; I162-F165 VanDerWaalsContact CG2-CB 3.5Å; I162-F165 PolarHBondContact O-N 2.95Å; F165-L167 HydrophobicContact CE2-CB 4.44Å; F165-L167 HydrophobicContact CZ-CB 3.96Å; F165-V254 HydrophobicContact CE2-CG1 4.37Å; F165-Q255 WeakPolarHBondContact CA-O 3.35Å; F165-F256 HydrophobicContact CB-CD2 4.05Å; F165-F256 AromaticContact CD2-CD2 3.91Å; F165-F256 HydrophobicContact CD2-CD2 3.91Å; F165-F256 HydrophobicContact CG-CD2 4.4Å |
| 166 | Y | 83.1 | Confident | 85.3 | Confident | 77 Ų | 77 | 46.8 Ų | 46.8 | 30% | 0.302 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 128.2 | 179.4 | -179.8 | -100.4 | 0 | 0 | 0 | 109 | R156 E168 Q255 | R156-Y166 PolarHBondContact NE-OH 3.47Å; Y166-E168 HydrophobicContact CE1-CB 3.73Å; Y166-E168 PolarHBondContact OH-OE2 3.02Å; Y166-Q255 PolarHBondContact N-O 2.86Å; Y166-Q255 PolarHBondContact O-N 2.9Å |
| 167 | L | 91.5 | Very high | 85.3 | Confident | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 120.7 | 173.8 | 158.3 | 64.3 | 0 | 0 | 0 | 108.5 | R156 F157 F165 V169 K253 V254 L274 | R156-L167 WeakPolarHBondContact CA-O 3.23Å; F157-L167 HydrophobicContact CB-CB 4.08Å; F157-L167 HydrophobicContact CB-CD2 4.02Å; F157-L167 HydrophobicContact CB-CG 4.14Å; F157-L167 HydrophobicContact CD2-CD2 3.59Å; F157-L167 HydrophobicContact CD2-CG 3.79Å; F157-L167 HydrophobicContact CE2-CD2 4.32Å; F157-L167 HydrophobicContact CG-CD2 4.01Å; F157-L167 HydrophobicContact CG-CG 4.37Å; F157-L167 PolarHBondContact N-O 3.46Å; F157-L167 PolarHBondContact O-N 3.13Å; F157-L167 VanDerWaalsContact O-N 3.11Å; F165-L167 HydrophobicContact CE2-CB 4.44Å; F165-L167 HydrophobicContact CZ-CB 3.96Å; L167-V169 HydrophobicContact CD1-CG2 3.77Å; L167-V169 HydrophobicContact CG-CG2 4.28Å; L167-K253 WeakPolarHBondContact CA-O 3.19Å; L167-V254 HydrophobicContact CD1-CG2 3.85Å; L167-L274 HydrophobicContact CD1-CD1 4.01Å; L167-L274 HydrophobicContact CD1-CD2 4.47Å; L167-L274 HydrophobicContact CD2-CD2 3.99Å |
| 168 | E | 94.8 | Very high | 85.3 | Confident | 15 Ų | 15 | 42 Ų | 42 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 133.8 | 173 | -170.2 | 174.6 | 75.2 | 0 | 0 | 109.5 | K154 T155 R156 Y166 C252 K253 | K154-E168 VanDerWaalsContact CE-CD 3.45Å; K154-E168 WeakPolarHBondContact CE-OE2 3.34Å; K154-E168 VanDerWaalsContact NZ-CD 3.29Å; K154-E168 IonicContact NZ-OE1 3.07Å; K154-E168 PolarHBondContact NZ-OE1 3.08Å; K154-E168 IonicContact NZ-OE2 2.75Å; K154-E168 PolarHBondContact NZ-OE2 2.79Å; T155-E168 WeakPolarHBondContact O-CA 3.5Å; R156-E168 HydrophobicContact CG-CG 4.08Å; R156-E168 IonicContact CZ-OE2 2.79Å; R156-E168 IonicContact NE-OE2 3.44Å; R156-E168 PolarHBondContact NE-OE2 3.27Å; R156-E168 IonicContact NH2-OE2 3.46Å; R156-E168 PolarHBondContact NH2-OE2 2.99Å; Y166-E168 HydrophobicContact CE1-CB 3.73Å; Y166-E168 PolarHBondContact OH-OE2 3.02Å; E168-C252 WeakPolarHBondContact O-CA 3.48Å; E168-K253 PolarHBondContact N-O 3.32Å; E168-K253 PolarHBondContact O-N 2.85Å |
| 169 | V | 95.8 | Very high | 85.7 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 5% | 0.048 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 110.9 | 176.7 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | T155 F157 L167 L251 | T155-V169 PolarHBondContact N-O 3.34Å; T155-V169 PolarHBondContact O-N 2.97Å; F157-V169 HydrophobicContact CE2-CG2 4.39Å; L167-V169 HydrophobicContact CD1-CG2 3.77Å; L167-V169 HydrophobicContact CG-CG2 4.28Å; V169-L251 WeakPolarHBondContact CA-O 3.46Å |
| 170 | E | 96.7 | Very high | 86.5 | Confident | 30 Ų | 30 | 48 Ų | 48 | 14% | 0.14 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 133.1 | 169.2 | -67.8 | -173.9 | 178.4 | 0 | 0 | 109.2 | Y152 T153 K154 F184 K250 L251 | Y152-E170 HydrophobicContact CE2-CB 4.45Å; T153-E170 CarbonylContact O-C 3.56Å; K154-E170 HydrophobicContact CD-CG 4.17Å; K154-E170 HydrophobicContact CG-CG 4.11Å; K154-E170 IonicContact NZ-OE1 2.7Å; K154-E170 PolarHBondContact NZ-OE1 3.21Å; E170-F184 HydrophobicContact CB-CD1 4.24Å; E170-F184 HydrophobicContact CB-CE1 3.84Å; E170-F184 WeakPolarHBondContact O-CE1 3.49Å; E170-F184 WeakPolarHBondContact O-CZ 3.41Å; E170-K250 CarbonylContact O-C 3.6Å; E170-K250 WeakPolarHBondContact O-CA 3.28Å; E170-L251 PolarHBondContact N-O 2.86Å; E170-L251 PolarHBondContact O-N 2.96Å |
| 171 | T | 97.3 | Very high | 87.7 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 132.8 | -179.5 | -49.4 | 0 | 0 | 0 | 0 | 110.9 | Y152 T153 Y173 Y249 K250 | Y152-T171 WeakPolarHBondContact CA-O 3.39Å; Y152-T171 WeakPolarHBondContact CD2-O 3.41Å; T153-T171 PolarHBondContact N-O 3.46Å; T153-T171 PolarHBondContact O-N 3.29Å; T171-Y173 HydrophobicContact CG2-CD1 4.19Å; T171-Y173 HydrophobicContact CG2-CD2 4.29Å; T171-Y173 HydrophobicContact CG2-CE1 3.52Å; T171-Y173 HydrophobicContact CG2-CE2 3.68Å; T171-Y173 WeakPolarHBondContact CG2-OH 3.47Å; T171-Y249 CarbonylContact C-O 3.42Å; T171-Y249 VanDerWaalsContact CA-O 3.23Å; T171-Y249 WeakPolarHBondContact CA-O 3.47Å; T171-Y249 WeakPolarHBondContact CG2-O 3.3Å; T171-K250 HydrophobicContact CG2-CG 3.68Å; T171-K250 PolarHBondContact OG1-NZ 2.89Å |
| 172 | K | 97.2 | Very high | 89.2 | Confident | 49 Ų | 49 | 49.7 Ų | 49.7 | 21% | 0.213 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 139.4 | 167.6 | -68 | -176.6 | -178.8 | -172.7 | 0 | 109.5 | Y152 F174 V183 F184 Y249 | Y152-K172 HydrophobicContact CD2-CG 3.91Å; K172-F174 HydrophobicContact CB-CD2 4.37Å; K172-F174 HydrophobicContact CB-CE2 3.68Å; K172-F174 HydrophobicContact CB-CZ 4.38Å; K172-F174 HydrophobicContact CD-CE2 4.28Å; K172-F174 HydrophobicContact CD-CZ 4.44Å; K172-V183 WeakPolarHBondContact CD-O 3.36Å; K172-V183 WeakPolarHBondContact CE-O 3.3Å; K172-V183 PolarHBondContact NZ-O 2.85Å; K172-F184 HydrophobicContact CB-CE1 4.48Å; K172-F184 HydrophobicContact CD-CD1 4.26Å; K172-F184 HydrophobicContact CD-CE1 4.3Å; K172-F184 HydrophobicContact CG-CD1 4.41Å; K172-F184 HydrophobicContact CG-CE1 3.98Å; K172-Y249 PolarHBondContact N-O 3.43Å; K172-Y249 PolarHBondContact O-N 3.26Å |
| 173 | Y | 97.2 | Very high | 90.6 | Very high | 11 Ų | 11 | 49.5 Ų | 49.5 | 4% | 0.043 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.7 | -179.2 | -56 | -80.1 | 0 | 0 | 0 | 110.8 | Y17 Q21 Y150 P151 T171 M246 A248 | Y17-Y173 AromaticContact CD1-CD1 3.93Å; Y17-Y173 HydrophobicContact CD1-CD1 3.93Å; Y17-Y173 AromaticContact CD1-CE1 3.78Å; Y17-Y173 HydrophobicContact CD1-CE1 3.78Å; Y17-Y173 AromaticContact CE1-CD1 3.96Å; Y17-Y173 HydrophobicContact CE1-CD1 3.96Å; Y17-Y173 AromaticContact CE1-CE1 3.35Å; Y17-Y173 HydrophobicContact CE1-CE1 3.35Å; Y17-Y173 AromaticContact CE1-CZ 3.94Å; Q21-Y173 VanDerWaalsContact OE1-CZ 3.32Å; Q21-Y173 PolarHBondContact OE1-OH 3.28Å; Y150-Y173 AromaticContact CD2-CD2 3.71Å; Y150-Y173 HydrophobicContact CD2-CD2 3.71Å; Y150-Y173 AromaticContact CD2-CE2 3.73Å; Y150-Y173 HydrophobicContact CD2-CE2 3.73Å; Y150-Y173 HydrophobicContact CE2-CD1 4.45Å; Y150-Y173 AromaticContact CE2-CD2 3.15Å; Y150-Y173 HydrophobicContact CE2-CD2 3.15Å; Y150-Y173 AromaticContact CE2-CE2 3.37Å; Y150-Y173 HydrophobicContact CE2-CE2 3.37Å; Y150-Y173 AromaticContact CE2-CG 3.75Å; Y150-Y173 HydrophobicContact CE2-CG 3.75Å; Y150-Y173 AromaticContact CZ-CD2 3.81Å; P151-Y173 HydrophobicContact CB-CD2 4.42Å; P151-Y173 VanDerWaalsContact O-CD2 3.24Å; P151-Y173 WeakPolarHBondContact O-CD2 3.42Å; P151-Y173 PolarHBondContact O-N 2.95Å; P151-Y173 VanDerWaalsContact O-N 3.13Å; T171-Y173 HydrophobicContact CG2-CD1 4.19Å; T171-Y173 HydrophobicContact CG2-CD2 4.29Å; T171-Y173 HydrophobicContact CG2-CE1 3.52Å; T171-Y173 HydrophobicContact CG2-CE2 3.68Å; T171-Y173 WeakPolarHBondContact CG2-OH 3.47Å; Y173-M246 HydrophobicContact CD1-CE 4.34Å; Y173-A248 HydrophobicContact CD1-CB 3.67Å; Y173-A248 HydrophobicContact CE1-CB 3.53Å |
| 174 | F | 97 | Very high | 92 | Very high | 68 Ų | 68 | 44.5 Ų | 44.5 | 30% | 0.298 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 148.3 | 177.9 | -64.8 | -81 | 0 | 0 | 0 | 111.3 | K172 D176 V183 M246 C247 Y249 | K172-F174 HydrophobicContact CB-CD2 4.37Å; K172-F174 HydrophobicContact CB-CE2 3.68Å; K172-F174 HydrophobicContact CB-CZ 4.38Å; K172-F174 HydrophobicContact CD-CE2 4.28Å; K172-F174 HydrophobicContact CD-CZ 4.44Å; F174-D176 PolarHBondContact O-N 2.81Å; F174-V183 HydrophobicContact CD2-CG1 4.48Å; F174-V183 HydrophobicContact CE2-CB 4.01Å; F174-V183 HydrophobicContact CE2-CG1 4.08Å; F174-M246 CarbonylContact O-C 3.52Å; F174-M246 WeakPolarHBondContact O-CA 3.16Å; F174-M246 WeakPolarHBondContact O-CB 3.43Å; F174-C247 PolarHBondContact N-O 3.26Å; F174-C247 PolarHBondContact O-N 2.77Å; F174-Y249 HydrophobicContact CB-CE2 4.22Å; F174-Y249 AromaticContact CD2-CD2 3.78Å; F174-Y249 HydrophobicContact CD2-CD2 3.78Å; F174-Y249 AromaticContact CD2-CE2 3.8Å; F174-Y249 HydrophobicContact CD2-CE2 3.8Å; F174-Y249 HydrophobicContact CG-CE2 4.47Å |
| 175 | N | 95.6 | Very high | 93 | Very high | 103 Ų | 103 | 45.9 Ų | 45.9 | 55% | 0.551 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -79.8 | 70.6 | 172.2 | -72.1 | -50.1 | 0 | 0 | 0 | 109.8 | S13 V14 I245 | S13-N175 WeakPolarHBondContact CA-OD1 3.38Å; V14-N175 HydrophobicContact CG2-CB 4.42Å; V14-N175 WeakPolarHBondContact CG2-OD1 3.42Å; V14-N175 PolarHBondContact N-OD1 3.29Å; N175-I245 CarbonylContact C-O 3.6Å; N175-I245 WeakPolarHBondContact CA-O 3.08Å |
| 176 | D | 94.1 | Very high | 93.7 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -145.5 | 176.1 | 176.6 | 69.2 | 31.1 | 0 | 0 | 0 | 111.6 | F174 G178 Q180 I245 M246 C247 Y249 | F174-D176 PolarHBondContact O-N 2.81Å; D176-G178 PolarHBondContact OD1-N 2.78Å; D176-Q180 VanDerWaalsContact OD2-CG 3.29Å; D176-Q180 WeakPolarHBondContact OD2-CG 3.41Å; D176-Q180 PolarHBondContact OD2-NE2 3.45Å; D176-I245 PolarHBondContact N-O 2.87Å; D176-M246 CarbonylContact O-C 3.56Å; D176-M246 WeakPolarHBondContact O-CA 3.45Å; D176-C247 PolarHBondContact O-N 3.39Å; D176-C247 WeakPolarHBondContact OD1-CB 3.34Å; D176-Y249 WeakPolarHBondContact OD1-CE2 3.31Å; D176-Y249 PolarHBondContact OD1-OH 2.82Å; D176-Y249 PolarHBondContact OD2-OH 2.95Å |
| 177 | A | 93.1 | Very high | 94.1 | Very high | 19 Ų | 19 | 44 Ų | 44 | 16% | 0.157 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -95.3 | 29.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L9 V235 I239 I245 | L9-A177 WeakPolarHBondContact CD2-O 3.44Å; A177-V235 HydrophobicContact CB-CG1 4.37Å; A177-I239 HydrophobicContact CB-CD1 3.88Å; A177-I239 HydrophobicContact CB-CG1 4.35Å; A177-I245 HydrophobicContact CB-CD1 3.84Å |
| 178 | G | 91.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 51 Ų | 51 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 79.5 | 17.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R7 D176 Y249 | R7-G178 WeakPolarHBondContact CD-O 3.5Å; R7-G178 PolarHBondContact NH1-O 2.69Å; D176-G178 PolarHBondContact OD1-N 2.78Å; G178-Y249 WeakPolarHBondContact CA-OH 3.37Å |
| 179 | C | 89.6 | Confident | 93.8 | Very high | 101 Ų | 101 | 55 Ų | 55 | 68% | 0.682 | 29% | 0.294 | S | S | * | . | trans | -86.4 | -9.6 | -172.3 | -55.2 | 0 | 0 | 0 | 0 | 114.3 | Y249 | C179-Y249 PolarHBondContact N-OH 3.28Š| ||
| 180 | Q | 92 | Very high | 93.6 | Very high | 79 Ų | 79 | 58.1 Ų | 58.1 | 37% | 0.369 | 31% | 0.308 | S | S | . | . | trans | -78 | 136 | -179 | -68.4 | -174.9 | 61.1 | 0 | 0 | 111.2 | R7 D176 V183 Y249 | R7-Q180 PolarHBondContact NH2-O 3.29Å; D176-Q180 VanDerWaalsContact OD2-CG 3.29Å; D176-Q180 WeakPolarHBondContact OD2-CG 3.41Å; D176-Q180 PolarHBondContact OD2-NE2 3.45Å; Q180-V183 HydrophobicContact CB-CG1 3.45Å; Q180-V183 VanDerWaalsContact CB-CG1 3.45Å; Q180-V183 HydrophobicContact CG-CG1 4.45Å; Q180-Y249 HydrophobicContact CB-CE1 4.45Å; Q180-Y249 WeakPolarHBondContact CB-OH 3.36Å; Q180-Y249 PolarHBondContact N-OH 2.89Å; Q180-Y249 VanDerWaalsContact N-OH 3.09Å | ||
| 181 | E | 91.7 | Very high | 93.3 | Very high | 121 Ų | 121 | 59.2 Ų | 59.2 | 57% | 0.565 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -97.8 | 145 | 174.1 | -73.2 | -55.4 | 131.5 | 0 | 0 | 111.7 | R7 V183 R194 | R7-E181 IonicContact CZ-OE1 3.82Å; R7-E181 IonicContact NH1-OE1 3.67Å; R7-E181 PolarHBondContact NH1-OE1 3.38Å; R7-E181 VanDerWaalsContact NH2-CD 3.33Å; R7-E181 IonicContact NH2-OE1 3.71Å; R7-E181 PolarHBondContact NH2-OE1 3.41Å; R7-E181 IonicContact NH2-OE2 3.65Å; R7-E181 PolarHBondContact NH2-OE2 3.05Å; E181-V183 VanDerWaalsContact C-N 3.32Å; E181-V183 PolarHBondContact O-N 2.78Å; E181-R194 IonicContact OE2-NH2 2.78Å; E181-R194 PolarHBondContact OE2-NH2 2.82Å |
| 182 | N | 92.9 | Very high | 92.9 | Very high | 45 Ų | 45 | 64.9 Ų | 64.9 | 24% | 0.241 | 35% | 0.345 | C | S | . | . | trans | 51.1 | 39.2 | 175.9 | -158.2 | 21.3 | 0 | 0 | 0 | 116.1 | F184 N185 L186 L191 | N182-F184 PolarHBondContact O-N 3.43Å; N182-N185 PolarHBondContact O-N 3.49Å; N182-L186 PolarHBondContact ND2-O 3.19Å; N182-L186 VanDerWaalsContact ND2-O 3.13Å; N182-L186 WeakPolarHBondContact OD1-CB 3.42Å; N182-L186 PolarHBondContact OD1-N 3.34Å; N182-L191 HydrophobicContact CB-CD1 3.61Å; N182-L191 WeakPolarHBondContact ND2-CD1 3.49Å; N182-L191 WeakPolarHBondContact OD1-CD1 3.21Å | ||
| 183 | V | 94.4 | Very high | 92.5 | Very high | 11 Ų | 11 | 69.1 Ų | 69.1 | 7% | 0.067 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -19 | -179.4 | -59.6 | 0 | 0 | 0 | 0 | 114.3 | K172 F174 Q180 E181 Y249 | K172-V183 WeakPolarHBondContact CD-O 3.36Å; K172-V183 WeakPolarHBondContact CE-O 3.3Å; K172-V183 PolarHBondContact NZ-O 2.85Å; F174-V183 HydrophobicContact CD2-CG1 4.48Å; F174-V183 HydrophobicContact CE2-CB 4.01Å; F174-V183 HydrophobicContact CE2-CG1 4.08Å; Q180-V183 HydrophobicContact CB-CG1 3.45Å; Q180-V183 VanDerWaalsContact CB-CG1 3.45Å; Q180-V183 HydrophobicContact CG-CG1 4.45Å; E181-V183 VanDerWaalsContact C-N 3.32Å; E181-V183 PolarHBondContact O-N 2.78Å; V183-Y249 HydrophobicContact CG1-CD1 4.21Å; V183-Y249 HydrophobicContact CG1-CE1 4.11Å; V183-Y249 HydrophobicContact CG1-CG 4.48Å; V183-Y249 HydrophobicContact CG2-CD1 3.76Å; V183-Y249 HydrophobicContact CG2-CD2 4.47Å; V183-Y249 HydrophobicContact CG2-CE1 4.47Å; V183-Y249 HydrophobicContact CG2-CG 3.76Å |
| 184 | F | 94.8 | Very high | 92.3 | Very high | 18 Ų | 18 | 70 Ų | 70 | 8% | 0.079 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 1.5 | 178.1 | -65.1 | -79.2 | 0 | 0 | 0 | 114.2 | E5 E170 K172 N182 L186 Y249 L251 | E5-F184 HydrophobicContact CG-CE2 4.37Å; E170-F184 HydrophobicContact CB-CD1 4.24Å; E170-F184 HydrophobicContact CB-CE1 3.84Å; E170-F184 WeakPolarHBondContact O-CE1 3.49Å; E170-F184 WeakPolarHBondContact O-CZ 3.41Å; K172-F184 HydrophobicContact CB-CE1 4.48Å; K172-F184 HydrophobicContact CD-CD1 4.26Å; K172-F184 HydrophobicContact CD-CE1 4.3Å; K172-F184 HydrophobicContact CG-CD1 4.41Å; K172-F184 HydrophobicContact CG-CE1 3.98Å; N182-F184 PolarHBondContact O-N 3.43Å; F184-L186 VanDerWaalsContact C-N 3.27Å; F184-L186 HydrophobicContact CB-CD2 4.21Å; F184-L186 HydrophobicContact CB-CG 4.02Å; F184-L186 PolarHBondContact O-N 3.15Å; F184-Y249 WeakPolarHBondContact CZ-O 3.43Å; F184-L251 HydrophobicContact CB-CD2 4.19Å; F184-L251 HydrophobicContact CD1-CB 4.15Å; F184-L251 HydrophobicContact CD1-CD2 4.39Å; F184-L251 HydrophobicContact CD2-CB 3.86Å; F184-L251 HydrophobicContact CD2-CD2 4.35Å; F184-L251 HydrophobicContact CE1-CB 3.96Å; F184-L251 HydrophobicContact CE2-CB 3.64Å; F184-L251 HydrophobicContact CG-CB 4.1Å; F184-L251 HydrophobicContact CG-CD2 4.07Å; F184-L251 HydrophobicContact CZ-CB 3.68Å |
| 185 | N | 93.2 | Very high | 92.1 | Very high | 135 Ų | 135 | 70.3 Ų | 70.3 | 72% | 0.722 | 38% | 0.38 | S | S | * | . | trans | 53.3 | 42.8 | -177 | -59.4 | -29.2 | 0 | 0 | 0 | 112.8 | N182 | N182-N185 PolarHBondContact O-N 3.49Š| ||
| 186 | L | 93.3 | Very high | 92.1 | Very high | 17 Ų | 17 | 68.1 Ų | 68.1 | 9% | 0.089 | 37% | 0.37 | C | S | . | . | trans | -67.1 | 146.7 | 177.8 | -61 | 175.2 | 0 | 0 | 0 | 110.7 | N182 F184 E190 L191 L251 | N182-L186 PolarHBondContact ND2-O 3.19Å; N182-L186 VanDerWaalsContact ND2-O 3.13Å; N182-L186 WeakPolarHBondContact OD1-CB 3.42Å; N182-L186 PolarHBondContact OD1-N 3.34Å; F184-L186 VanDerWaalsContact C-N 3.27Å; F184-L186 HydrophobicContact CB-CD2 4.21Å; F184-L186 HydrophobicContact CB-CG 4.02Å; F184-L186 PolarHBondContact O-N 3.15Å; L186-E190 HydrophobicContact CB-CB 4.06Å; L186-E190 HydrophobicContact CD2-CB 4.45Å; L186-L191 HydrophobicContact CB-CD1 4.36Å; L186-L251 HydrophobicContact CD1-CD1 4.09Å; L186-L251 HydrophobicContact CD1-CD2 4.2Å; L186-L251 HydrophobicContact CD2-CD2 3.73Å; L186-L251 HydrophobicContact CG-CD2 4.43Å | ||
| 187 | S | 93.3 | Very high | 92.1 | Very high | 51 Ų | 51 | 68.4 Ų | 68.4 | 36% | 0.357 | 37% | 0.372 | S | S | . | . | trans | -60.9 | 153.9 | 169.3 | 62.4 | 0 | 0 | 0 | 0 | 110.6 | T189 E190 L191 | S187-T189 PolarHBondContact O-N 3.2Å; S187-T189 VanDerWaalsContact O-N 3.14Å; S187-T189 PolarHBondContact OG-OG1 3.35Å; S187-T189 VanDerWaalsContact OG-OG1 3.08Å; S187-E190 PolarHBondContact N-OE2 3.43Å; S187-E190 VanDerWaalsContact N-OE2 3.17Å; S187-E190 PolarHBondContact O-N 3.13Å; S187-E190 WeakPolarHBondContact OG-CB 3.21Å; S187-E190 VanDerWaalsContact OG-CG 3.24Å; S187-E190 WeakPolarHBondContact OG-CG 3.45Å; S187-E190 PolarHBondContact OG-N 3.19Å; S187-E190 PolarHBondContact OG-OE2 2.95Å; S187-L191 WeakPolarHBondContact O-CB 3.33Å; S187-L191 PolarHBondContact O-N 2.87Å | ||
| 188 | E | 91 | Very high | 92.2 | Very high | 156 Ų | 156 | 71.3 Ų | 71.3 | 73% | 0.729 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -55.8 | -34.8 | -179.8 | -169.1 | 174.8 | -173.6 | 0 | 0 | 112.5 | L191 N192 | E188-L191 WeakPolarHBondContact O-CB 3.04Å; E188-L191 PolarHBondContact O-N 3.37Å; E188-N192 VanDerWaalsContact O-CG 3.28Å; E188-N192 PolarHBondContact O-N 3.48Å; E188-N192 VanDerWaalsContact O-N 3.08Å; E188-N192 PolarHBondContact O-ND2 3.33Å; E188-N192 VanDerWaalsContact O-ND2 3.1Å |
| 189 | T | 89 | Confident | 92.3 | Very high | 100 Ų | 100 | 71 Ų | 71 | 61% | 0.613 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -65.9 | -43.6 | 174.7 | 45.6 | 0 | 0 | 0 | 0 | 113.2 | S187 L193 | S187-T189 PolarHBondContact O-N 3.2Å; S187-T189 VanDerWaalsContact O-N 3.14Å; S187-T189 PolarHBondContact OG-OG1 3.35Å; S187-T189 VanDerWaalsContact OG-OG1 3.08Å; T189-L193 WeakPolarHBondContact O-CG 3.48Å; T189-L193 PolarHBondContact O-N 3.21Å |
| 190 | E | 90.5 | Very high | 92.5 | Very high | 74 Ų | 74 | 67.5 Ų | 67.5 | 35% | 0.346 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -71.4 | -35.6 | 177 | -71 | 170 | 123.7 | 0 | 0 | 111.4 | L186 S187 N192 L193 R194 K253 | L186-E190 HydrophobicContact CB-CB 4.06Å; L186-E190 HydrophobicContact CD2-CB 4.45Å; S187-E190 PolarHBondContact N-OE2 3.43Å; S187-E190 VanDerWaalsContact N-OE2 3.17Å; S187-E190 PolarHBondContact O-N 3.13Å; S187-E190 WeakPolarHBondContact OG-CB 3.21Å; S187-E190 VanDerWaalsContact OG-CG 3.24Å; S187-E190 WeakPolarHBondContact OG-CG 3.45Å; S187-E190 PolarHBondContact OG-N 3.19Å; S187-E190 PolarHBondContact OG-OE2 2.95Å; E190-N192 VanDerWaalsContact C-N 3.32Å; E190-N192 PolarHBondContact O-N 3.42Å; E190-L193 PolarHBondContact O-N 3.19Å; E190-R194 PolarHBondContact O-N 3.07Å; E190-K253 IonicContact OE1-NZ 2.75Å |
| 191 | L | 89.7 | Confident | 92.6 | Very high | 52 Ų | 52 | 63.8 Ų | 63.8 | 27% | 0.272 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.1 | -45.2 | 175.4 | -156.7 | 98.4 | 0 | 0 | 0 | 111.3 | N182 L186 S187 E188 R194 | N182-L191 HydrophobicContact CB-CD1 3.61Å; N182-L191 WeakPolarHBondContact ND2-CD1 3.49Å; N182-L191 WeakPolarHBondContact OD1-CD1 3.21Å; L186-L191 HydrophobicContact CB-CD1 4.36Å; S187-L191 WeakPolarHBondContact O-CB 3.33Å; S187-L191 PolarHBondContact O-N 2.87Å; E188-L191 WeakPolarHBondContact O-CB 3.04Å; E188-L191 PolarHBondContact O-N 3.37Å; L191-R194 WeakPolarHBondContact O-CG 3.13Å |
| 192 | N | 88.7 | Confident | 92.7 | Very high | 122 Ų | 122 | 58.2 Ų | 58.2 | 65% | 0.652 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -74 | -24.3 | -179.6 | -71.5 | -30.9 | 0 | 0 | 0 | 113.5 | E188 E190 | E188-N192 VanDerWaalsContact O-CG 3.28Å; E188-N192 PolarHBondContact O-N 3.48Å; E188-N192 VanDerWaalsContact O-N 3.08Å; E188-N192 PolarHBondContact O-ND2 3.33Å; E188-N192 VanDerWaalsContact O-ND2 3.1Å; E190-N192 VanDerWaalsContact C-N 3.32Å; E190-N192 PolarHBondContact O-N 3.42Å |
| 193 | L | 90.1 | Very high | 92.7 | Very high | 139 Ų | 139 | 59.5 Ų | 59.5 | 73% | 0.728 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -88.3 | -17.8 | 178.4 | -70.3 | 173.3 | 0 | 0 | 0 | 113.3 | T189 E190 | T189-L193 WeakPolarHBondContact O-CG 3.48Å; T189-L193 PolarHBondContact O-N 3.21Å; E190-L193 PolarHBondContact O-N 3.19Å |
| 194 | R | 93.3 | Very high | 92.6 | Very high | 29 Ų | 29 | 60.6 Ų | 60.6 | 11% | 0.109 | 33% | 0.328 | C | S | . | . | trans | -73 | 144.3 | 178.9 | 67.3 | 142.9 | -171.6 | -84 | 1.2 | 111.7 | T3 E5 E181 E190 L191 | T3-R194 HydrophobicContact CG2-CB 4.27Å; E5-R194 VanDerWaalsContact OE2-CD 3.27Å; E5-R194 WeakPolarHBondContact OE2-CD 3.48Å; E5-R194 IonicContact OE2-CZ 2.86Å; E5-R194 IonicContact OE2-NE 3.56Å; E5-R194 PolarHBondContact OE2-NE 3.39Å; E5-R194 IonicContact OE2-NH1 3.63Å; E181-R194 IonicContact OE2-NH2 2.78Å; E181-R194 PolarHBondContact OE2-NH2 2.82Å; E190-R194 PolarHBondContact O-N 3.07Å; L191-R194 WeakPolarHBondContact O-CG 3.13Å | ||
| 195 | T | 93.1 | Very high | 92.3 | Very high | 74 Ų | 74 | 65 Ų | 65 | 45% | 0.454 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 126 | 165.5 | -53 | 0 | 0 | 0 | 0 | 109.3 | T3 K4 E5 | T3-T195 PolarHBondContact O-N 2.94Å; T3-T195 VanDerWaalsContact O-N 3.11Å; K4-T195 CarbonylContact C-O 3.53Å; K4-T195 VanDerWaalsContact CA-O 3.26Å; K4-T195 WeakPolarHBondContact CA-O 3.17Å; E5-T195 PolarHBondContact N-O 2.66Å |
| 196 | V | 94.8 | Very high | 91.9 | Very high | 57 Ų | 57 | 60.2 Ų | 60.2 | 35% | 0.345 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 131.1 | 175 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | E5 R7 V198 | E5-V196 HydrophobicContact CB-CG2 4.36Å; E5-V196 CarbonylContact O-C 3.22Å; E5-V196 WeakPolarHBondContact O-CA 3.45Å; R7-V196 HydrophobicContact CG-CG1 4.18Å; V196-V198 HydrophobicContact CG1-CG2 4.43Å |
| 197 | D | 94.6 | Very high | 91.3 | Very high | 29 Ų | 29 | 62 Ų | 62 | 16% | 0.155 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 107.2 | 177.9 | -174.6 | -7.8 | 0 | 0 | 0 | 108.7 | E5 Y6 R7 R275 | E5-D197 PolarHBondContact O-N 3.43Å; Y6-D197 CarbonylContact C-O 3.58Å; Y6-D197 VanDerWaalsContact CA-O 3.31Å; Y6-D197 WeakPolarHBondContact CA-O 3.32Å; Y6-D197 HydrophobicContact CD1-CB 3.79Å; Y6-D197 HydrophobicContact CE1-CB 4.07Å; Y6-D197 WeakPolarHBondContact CE1-OD2 3.38Å; R7-D197 PolarHBondContact N-O 2.7Å; D197-R275 IonicContact OD1-CZ 2.87Å; D197-R275 IonicContact OD1-NE 3.37Å; D197-R275 PolarHBondContact OD1-NE 3.42Å; D197-R275 IonicContact OD1-NH2 2.87Å; D197-R275 PolarHBondContact OD1-NH2 3.32Å; D197-R275 VanDerWaalsContact OD2-CD 3.29Å; D197-R275 WeakPolarHBondContact OD2-CD 3.47Å; D197-R275 IonicContact OD2-CZ 3.99Å; D197-R275 IonicContact OD2-NE 3.33Å; D197-R275 PolarHBondContact OD2-NE 3.41Å; D197-R275 IonicContact OD2-NH2 3.2Å |
| 198 | V | 94.9 | Very high | 90.7 | Very high | 81 Ų | 81 | 64.1 Ų | 64.1 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 120.6 | 176.9 | -175.2 | 0 | 0 | 0 | 0 | 108.1 | R7 L9 V196 | R7-V198 HydrophobicContact CB-CG2 4.26Å; R7-V198 WeakPolarHBondContact O-CA 3.47Å; L9-V198 HydrophobicContact CD1-CG1 4.32Å; V196-V198 HydrophobicContact CG1-CG2 4.43Å |
| 199 | M | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 121.7 | -175.8 | -63.6 | 177.9 | 63.3 | 0 | 0 | 110.4 | Y6 R7 I8 L9 R275 M278 L279 | Y6-M199 HydrophobicContact CD1-CG 4.29Å; Y6-M199 HydrophobicContact CD1-SD 3.57Å; Y6-M199 VanDerWaalsContact CD1-SD 3.57Å; Y6-M199 HydrophobicContact CE1-SD 4.41Å; Y6-M199 HydrophobicContact CG-SD 4.1Å; R7-M199 PolarHBondContact O-N 2.61Å; I8-M199 HydrophobicContact CD1-SD 4.13Å; I8-M199 HydrophobicContact CG1-CB 4.2Å; I8-M199 HydrophobicContact CG1-CG 4.44Å; I8-M199 HydrophobicContact CG1-SD 3.84Å; I8-M199 HydrophobicContact CG2-CB 4.39Å; L9-M199 PolarHBondContact N-O 3.2Å; M199-R275 HydrophobicContact CE-CG 3.84Å; M199-R275 VanDerWaalsContact CE-O 3.23Å; M199-R275 WeakPolarHBondContact CE-O 3.35Å; M199-R275 HydrophobicContact SD-CG 4.01Å; M199-M278 HydrophobicContact CE-CB 4.04Å; M199-M278 HydrophobicContact SD-CB 4.46Å; M199-L279 HydrophobicContact CE-CB 3.48Å; M199-L279 VanDerWaalsContact CE-CB 3.48Å; M199-L279 HydrophobicContact CE-CD1 4.12Å; M199-L279 HydrophobicContact CE-CG 4.34Å |
| 200 | D | 93.2 | Very high | 89.6 | Confident | 28 Ų | 28 | 57.7 Ų | 57.7 | 15% | 0.15 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 113.5 | 176.3 | -173.3 | -26.5 | 0 | 0 | 0 | 110.2 | V202 N203 D204 W234 | D200-V202 PolarHBondContact O-N 3.35Å; D200-V202 VanDerWaalsContact O-N 3.13Å; D200-V202 WeakPolarHBondContact OD1-CA 3.39Å; D200-V202 WeakPolarHBondContact OD1-CB 3.38Å; D200-V202 PolarHBondContact OD1-N 3.46Å; D200-N203 HydrophobicContact CB-CB 4.22Å; D200-N203 PolarHBondContact OD1-N 3.3Å; D200-N203 WeakPolarHBondContact OD2-CB 3.34Å; D200-N203 PolarHBondContact OD2-ND2 3.29Å; D200-D204 WeakPolarHBondContact O-CB 3.47Å; D200-D204 PolarHBondContact O-N 3.37Å; D200-W234 PolarHBondContact OD1-NE1 3.47Å |
| 201 | I | 94.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -20 | -178.8 | 69 | -176 | 0 | 0 | 0 | 113.6 | I8 L10 P217 L230 W234 H282 R283 | I8-I201 HydrophobicContact CG2-CG2 4.39Å; L10-I201 HydrophobicContact CD2-CD1 3.76Å; L10-I201 HydrophobicContact CD2-CG2 4.37Å; I201-P217 HydrophobicContact CG1-CG 4.47Å; I201-L230 HydrophobicContact CD1-CD1 4.29Å; I201-W234 HydrophobicContact CG1-CZ2 4.28Å; I201-H282 HydrophobicContact CG2-CB 3.94Å; I201-R283 HydrophobicContact CB-CG 3.96Å; I201-R283 WeakPolarHBondContact O-CD 3.08Å; I201-R283 VanDerWaalsContact O-CG 3.31Å; I201-R283 WeakPolarHBondContact O-CG 3.43Å |
| 202 | V | 94.2 | Very high | 89.5 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.03 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -51.5 | -177.8 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | D200 P217 K218 L230 W234 | D200-V202 PolarHBondContact O-N 3.35Å; D200-V202 VanDerWaalsContact O-N 3.13Å; D200-V202 WeakPolarHBondContact OD1-CA 3.39Å; D200-V202 WeakPolarHBondContact OD1-CB 3.38Å; D200-V202 PolarHBondContact OD1-N 3.46Å; V202-P217 HydrophobicContact CG2-CB 4.03Å; V202-K218 HydrophobicContact CG1-CD 4.18Å; V202-K218 HydrophobicContact CG1-CG 3.67Å; V202-K218 VanDerWaalsContact O-CE 3.28Å; V202-K218 WeakPolarHBondContact O-CE 3.35Å; V202-L230 HydrophobicContact CG2-CB 3.77Å; V202-L230 HydrophobicContact CG2-CD1 3.68Å; V202-L230 HydrophobicContact CG2-CG 4.39Å; V202-W234 HydrophobicContact CG2-CD2 4.39Å; V202-W234 HydrophobicContact CG2-CG 3.99Å; V202-W234 VanDerWaalsContact CG2-NE1 3.33Å |
| 203 | N | 92.6 | Very high | 89.5 | Confident | 71 Ų | 71 | 63.4 Ų | 63.4 | 38% | 0.38 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -24 | -169 | -67.6 | -46.3 | 0 | 0 | 0 | 114.3 | D200 S205 D232 | D200-N203 HydrophobicContact CB-CB 4.22Å; D200-N203 PolarHBondContact OD1-N 3.3Å; D200-N203 WeakPolarHBondContact OD2-CB 3.34Å; D200-N203 PolarHBondContact OD2-ND2 3.29Å; N203-S205 PolarHBondContact O-N 3Å; N203-D232 PolarHBondContact ND2-O 3.03Å |
| 204 | D | 92.4 | Very high | 89.6 | Confident | 35 Ų | 35 | 60.5 Ų | 60.5 | 19% | 0.187 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -69.9 | 133.6 | 177.9 | -78.3 | 3.2 | 0 | 0 | 0 | 111.8 | D200 R275 L279 | D200-D204 WeakPolarHBondContact O-CB 3.47Å; D200-D204 PolarHBondContact O-N 3.37Å; D204-R275 IonicContact OD2-CZ 2.75Å; D204-R275 VanDerWaalsContact OD2-CZ 3.32Å; D204-R275 IonicContact OD2-NH1 2.91Å; D204-R275 PolarHBondContact OD2-NH1 2.84Å; D204-R275 IonicContact OD2-NH2 3.55Å; D204-R275 PolarHBondContact OD2-NH2 2.67Å; D204-L279 HydrophobicContact CB-CD1 3.97Å; D204-L279 HydrophobicContact CB-CD2 3.57Å; D204-L279 HydrophobicContact CB-CG 4.43Å |
| 205 | S | 87.4 | Confident | 89.5 | Confident | 111 Ų | 111 | 59.9 Ų | 59.9 | 78% | 0.776 | 35% | 0.353 | S | S | * | . | trans | -68.7 | 138.9 | 179.3 | 64.9 | 0 | 0 | 0 | 0 | 112.4 | N203 | N203-S205 PolarHBondContact O-N 3Š| ||
| 206 | I | 84.9 | Confident | 89.6 | Confident | 34 Ų | 34 | 57 Ų | 57 | 17% | 0.174 | 34% | 0.336 | C | S | . | . | trans | -112.6 | 140.8 | 171.5 | -68.1 | -169.2 | 0 | 0 | 0 | 110.1 | D210 L279 | I206-D210 HydrophobicContact CG2-CB 3.74Å; I206-L279 HydrophobicContact CD1-CD2 4.23Å; I206-L279 HydrophobicContact CD1-CG 4.18Å; I206-L279 HydrophobicContact CG1-CD2 3.76Å; I206-L279 HydrophobicContact CG1-CG 4.26Å | ||
| 207 | P | 81.9 | Confident | 89.6 | Confident | 55 Ų | 55 | 54.3 Ų | 54.3 | 36% | 0.357 | 32% | 0.319 | S | S | . | . | trans | -56.5 | 139.2 | 174 | -27.2 | 37.5 | 0 | 0 | 0 | 112.4 | A209 D210 Y211 | P207-A209 PolarHBondContact O-N 3.37Å; P207-D210 PolarHBondContact O-N 3.35Å; P207-Y211 PolarHBondContact O-N 3.46Å | ||
| 208 | A | 79.4 | Confident | 89.5 | Confident | 95 Ų | 95 | 56.7 Ų | 56.7 | 79% | 0.785 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -30.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | D210 Y211 | A208-D210 VanDerWaalsContact C-N 3.29Å; A208-D210 PolarHBondContact O-N 3.02Å; A208-Y211 PolarHBondContact O-N 2.64Å |
| 209 | A | 76 | Confident | 89.5 | Confident | 94 Ų | 94 | 57.3 Ų | 57.3 | 78% | 0.777 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -25.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P207 | P207-A209 PolarHBondContact O-N 3.37Š|
| 210 | D | 80.7 | Confident | 89.5 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 14% | 0.144 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -12 | 178.4 | -70.6 | -6.8 | 0 | 0 | 0 | 112.5 | I206 P207 A208 R212 R276 R280 | I206-D210 HydrophobicContact CG2-CB 3.74Å; P207-D210 PolarHBondContact O-N 3.35Å; A208-D210 VanDerWaalsContact C-N 3.29Å; A208-D210 PolarHBondContact O-N 3.02Å; D210-R212 PolarHBondContact O-N 3.13Å; D210-R276 IonicContact OD1-NH2 3.21Å; D210-R276 PolarHBondContact OD1-NH2 3.49Å; D210-R276 VanDerWaalsContact OD1-NH2 3.08Å; D210-R276 IonicContact OD2-CZ 3.11Å; D210-R276 IonicContact OD2-NE 3.03Å; D210-R276 PolarHBondContact OD2-NE 3.13Å; D210-R276 IonicContact OD2-NH2 3.28Å; D210-R276 PolarHBondContact OD2-NH2 2.94Å; D210-R280 IonicContact OD1-NH1 3.39Å; D210-R280 PolarHBondContact OD1-NH1 3.39Å; D210-R280 IonicContact OD2-NH1 3.22Å |
| 211 | Y | 88.5 | Confident | 89.6 | Confident | 104 Ų | 104 | 63.5 Ų | 63.5 | 41% | 0.408 | 35% | 0.353 | S | S | . | . | trans | -67.7 | 125.8 | -178.1 | 179.7 | -97.8 | 0 | 0 | 0 | 110.8 | P207 A208 K213 D216 | P207-Y211 PolarHBondContact O-N 3.46Å; A208-Y211 PolarHBondContact O-N 2.64Å; Y211-K213 HydrophobicContact CE1-CB 4.46Å; Y211-D216 HydrophobicContact CE2-CB 4.16Å; Y211-D216 VanDerWaalsContact CE2-OD2 3.3Å; Y211-D216 WeakPolarHBondContact CE2-OD2 3.37Å; Y211-D216 PolarHBondContact OH-OD2 3.22Å | ||
| 212 | R | 89.5 | Confident | 89.6 | Confident | 107 Ų | 107 | 63.7 Ų | 63.7 | 40% | 0.404 | 35% | 0.354 | S | S | . | . | trans | -128.5 | 122.8 | 173.1 | -69.6 | 174.1 | 173.6 | -174.5 | -1.1 | 108.2 | D210 A214 E215 D216 | D210-R212 PolarHBondContact O-N 3.13Å; R212-A214 PolarHBondContact O-N 2.94Å; R212-A214 VanDerWaalsContact O-N 3.15Å; R212-E215 HydrophobicContact CB-CB 4.16Å; R212-E215 HydrophobicContact CB-CG 4.1Å; R212-E215 VanDerWaalsContact CD-CD 3.43Å; R212-E215 WeakPolarHBondContact CD-OE1 3.46Å; R212-E215 IonicContact CZ-OE1 3.8Å; R212-E215 IonicContact NE-OE1 3.26Å; R212-E215 IonicContact NH1-OE1 3.86Å; R212-E215 PolarHBondContact NH1-OE1 3.31Å; R212-E215 PolarHBondContact O-N 3.16Å; R212-D216 PolarHBondContact O-N 3.06Å | ||
| 213 | K | 90.4 | Very high | 89.5 | Confident | 156 Ų | 156 | 72.8 Ų | 72.8 | 68% | 0.678 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -55.1 | -34.7 | -179.6 | -171.8 | -179.4 | 178.3 | -179.6 | 0 | 113 | Y211 E215 D216 L219 | Y211-K213 HydrophobicContact CE1-CB 4.46Å; K213-E215 VanDerWaalsContact C-N 3.27Å; K213-E215 PolarHBondContact O-N 3.5Å; K213-D216 PolarHBondContact O-N 3.12Å; K213-L219 HydrophobicContact CG-CD1 3.72Å |
| 214 | A | 90.9 | Very high | 89.5 | Confident | 79 Ų | 79 | 72.4 Ų | 72.4 | 65% | 0.653 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -71.4 | -20.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R212 | R212-A214 PolarHBondContact O-N 2.94Å; R212-A214 VanDerWaalsContact O-N 3.15Å |
| 215 | E | 92.6 | Very high | 89.4 | Confident | 15 Ų | 15 | 72.7 Ų | 72.7 | 7% | 0.07 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -103.4 | 12.9 | -179.1 | -60.7 | 173.5 | -163.2 | 0 | 0 | 111.6 | R212 K213 P217 Q284 A287 | R212-E215 HydrophobicContact CB-CB 4.16Å; R212-E215 HydrophobicContact CB-CG 4.1Å; R212-E215 VanDerWaalsContact CD-CD 3.43Å; R212-E215 WeakPolarHBondContact CD-OE1 3.46Å; R212-E215 IonicContact CZ-OE1 3.8Å; R212-E215 IonicContact NE-OE1 3.26Å; R212-E215 IonicContact NH1-OE1 3.86Å; R212-E215 PolarHBondContact NH1-OE1 3.31Å; R212-E215 PolarHBondContact O-N 3.16Å; K213-E215 VanDerWaalsContact C-N 3.27Å; K213-E215 PolarHBondContact O-N 3.5Å; E215-P217 WeakPolarHBondContact O-CD 3.37Å; E215-Q284 HydrophobicContact CG-CG 4.33Å; E215-Q284 PolarHBondContact OE1-NE2 3.41Å; E215-Q284 VanDerWaalsContact OE2-CG 3.29Å; E215-Q284 WeakPolarHBondContact OE2-CG 3.18Å; E215-Q284 PolarHBondContact OE2-NE2 2.95Å; E215-A287 HydrophobicContact CB-CB 4.29Å |
| 216 | D | 93.7 | Very high | 89.6 | Confident | 15 Ų | 15 | 69.5 Ų | 69.5 | 8% | 0.08 | 38% | 0.381 | C | S | . | . | trans | -89.6 | 112.4 | -177.5 | -167.7 | -10.7 | 0 | 0 | 0 | 111.4 | Y211 R212 K213 K218 L219 Y220 R283 | Y211-D216 HydrophobicContact CE2-CB 4.16Å; Y211-D216 VanDerWaalsContact CE2-OD2 3.3Å; Y211-D216 WeakPolarHBondContact CE2-OD2 3.37Å; Y211-D216 PolarHBondContact OH-OD2 3.22Å; R212-D216 PolarHBondContact O-N 3.06Å; K213-D216 PolarHBondContact O-N 3.12Å; D216-K218 PolarHBondContact O-N 2.87Å; D216-K218 VanDerWaalsContact O-N 3.14Å; D216-K218 PolarHBondContact OD1-N 2.93Å; D216-L219 HydrophobicContact CB-CB 4.27Å; D216-L219 HydrophobicContact CB-CD1 4.18Å; D216-L219 HydrophobicContact CB-CG 4.24Å; D216-L219 PolarHBondContact O-N 3.31Å; D216-Y220 WeakPolarHBondContact O-CB 3.48Å; D216-Y220 PolarHBondContact O-N 2.99Å; D216-R283 IonicContact OD1-NH2 3.59Å; D216-R283 PolarHBondContact OD1-NH2 2.7Å; D216-R283 IonicContact OD2-NH2 3.65Å | ||
| 217 | P | 94.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -23.6 | -178.7 | -25.2 | 36.4 | 0 | 0 | 0 | 114.6 | I201 V202 E215 L219 L230 R283 | I201-P217 HydrophobicContact CG1-CG 4.47Å; V202-P217 HydrophobicContact CG2-CB 4.03Å; E215-P217 WeakPolarHBondContact O-CD 3.37Å; P217-L219 PolarHBondContact O-N 2.99Å; P217-L230 HydrophobicContact CB-CD1 4.04Å; P217-L230 PolarHBondContact O-N 2.9Å; P217-R283 VanDerWaalsContact CD-NH2 3.34Å; P217-R283 HydrophobicContact CG-CB 4.35Å; P217-R283 HydrophobicContact CG-CG 3.9Å |
| 218 | K | 93.6 | Very high | 90.3 | Very high | 78 Ų | 78 | 68.5 Ų | 68.5 | 34% | 0.339 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -19.4 | 174.7 | -65.1 | -168.1 | -177.6 | -161.4 | 0 | 113.1 | V202 D216 P229 D232 | V202-K218 HydrophobicContact CG1-CD 4.18Å; V202-K218 HydrophobicContact CG1-CG 3.67Å; V202-K218 VanDerWaalsContact O-CE 3.28Å; V202-K218 WeakPolarHBondContact O-CE 3.35Å; D216-K218 PolarHBondContact O-N 2.87Å; D216-K218 VanDerWaalsContact O-N 3.14Å; D216-K218 PolarHBondContact OD1-N 2.93Å; K218-P229 WeakPolarHBondContact O-CB 3.39Å; K218-D232 WeakPolarHBondContact CE-OD1 3.27Å; K218-D232 IonicContact NZ-OD1 2.73Å; K218-D232 PolarHBondContact NZ-OD1 2.73Å |
| 219 | L | 93.8 | Very high | 91 | Very high | 94 Ų | 94 | 67.4 Ų | 67.4 | 49% | 0.492 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -28.4 | -175.2 | -57.7 | 179.7 | 0 | 0 | 0 | 112.4 | K213 D216 P217 | K213-L219 HydrophobicContact CG-CD1 3.72Å; D216-L219 HydrophobicContact CB-CB 4.27Å; D216-L219 HydrophobicContact CB-CD1 4.18Å; D216-L219 HydrophobicContact CB-CG 4.24Å; D216-L219 PolarHBondContact O-N 3.31Å; P217-L219 PolarHBondContact O-N 2.99Å |
| 220 | Y | 94.9 | Very high | 91.9 | Very high | 30 Ų | 30 | 63.8 Ų | 63.8 | 12% | 0.118 | 33% | 0.327 | C | S | . | . | trans | -73.2 | 130.6 | -175.9 | 176.1 | -98 | 0 | 0 | 0 | 111.7 | D216 P229 W286 A287 Q289 D290 | D216-Y220 WeakPolarHBondContact O-CB 3.48Å; D216-Y220 PolarHBondContact O-N 2.99Å; Y220-P229 VanDerWaalsContact O-CA 3.29Å; Y220-P229 WeakPolarHBondContact O-CA 3.32Å; Y220-W286 AromaticContact CD1-CD1 3.97Å; Y220-W286 AromaticContact CD1-NE1 3.83Å; Y220-W286 WeakPolarHBondContact CE1-O 3.49Å; Y220-A287 HydrophobicContact CD1-CB 4.47Å; Y220-A287 HydrophobicContact CD2-CB 4.27Å; Y220-A287 WeakPolarHBondContact CE2-O 3.48Å; Y220-A287 HydrophobicContact CG-CB 4.18Å; Y220-A287 PolarHBondContact OH-O 3.4Å; Y220-Q289 HydrophobicContact CE1-CG 3.83Å; Y220-Q289 WeakPolarHBondContact OH-CG 3.12Å; Y220-D290 PolarHBondContact OH-OD2 2.72Å; Y220-D290 VanDerWaalsContact OH-OD2 3.13Å | ||
| 221 | K | 94.8 | Very high | 92.5 | Very high | 128 Ų | 128 | 65.2 Ų | 65.2 | 56% | 0.557 | 34% | 0.336 | S | S | * | . | trans | -129.5 | 124.1 | 170.5 | -178.9 | 169.6 | -173.9 | 176.7 | 0 | 109.1 | R227 G228 | K221-R227 CarbonylContact C-O 3.57Å; K221-R227 WeakPolarHBondContact CA-O 3.3Å; K221-G228 WeakPolarHBondContact CD-O 3.38Å; K221-G228 WeakPolarHBondContact CG-O 3.48Å | ||
| 222 | S | 94 | Very high | 92.7 | Very high | 4 Ų | 4 | 64.5 Ų | 64.5 | 3% | 0.028 | 34% | 0.339 | C | S | . | . | trans | -67.8 | 132.8 | 179.4 | 166.3 | 0 | 0 | 0 | 0 | 111.2 | V224 T225 G226 R227 Q289 D290 | S222-V224 PolarHBondContact OG-N 3.44Å; S222-T225 WeakPolarHBondContact CB-OG1 3.36Å; S222-T225 PolarHBondContact OG-N 3.36Å; S222-T225 PolarHBondContact OG-OG1 3.11Å; S222-G226 VanDerWaalsContact O-CA 3.27Å; S222-G226 WeakPolarHBondContact O-CA 3.36Å; S222-G226 PolarHBondContact O-N 3.3Å; S222-R227 PolarHBondContact N-O 3.06Å; S222-Q289 PolarHBondContact OG-NE2 2.78Å; S222-D290 WeakPolarHBondContact CA-OD1 3.48Å; S222-D290 VanDerWaalsContact CB-OD1 3.31Å; S222-D290 WeakPolarHBondContact CB-OD1 3.44Å; S222-D290 PolarHBondContact OG-OD1 2.77Å | ||
| 223 | K | 92.9 | Very high | 92.9 | Very high | 196 Ų | 196 | 64.3 Ų | 64.3 | 85% | 0.852 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -29.7 | 173.6 | -62.5 | 176.9 | -175.7 | 174.5 | 0 | 112.1 | D290 | K223-D290 VanDerWaalsContact N-CG 3.33Å; K223-D290 PolarHBondContact N-OD1 3.48Å; K223-D290 PolarHBondContact N-OD2 2.69Å |
| 224 | V | 91.9 | Very high | 93.1 | Very high | 64 Ų | 64 | 57 Ų | 57 | 39% | 0.388 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -47.1 | -176.3 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | S222 D290 F293 | S222-V224 PolarHBondContact OG-N 3.44Å; V224-D290 WeakPolarHBondContact CB-OD1 3.24Å; V224-D290 HydrophobicContact CG2-CB 3.91Å; V224-D290 WeakPolarHBondContact CG2-OD1 3.49Å; V224-D290 PolarHBondContact N-OD1 3.25Å; V224-F293 HydrophobicContact CG1-CD1 3.89Å |
| 225 | T | 91.5 | Very high | 93.2 | Very high | 40 Ų | 40 | 54.2 Ų | 54.2 | 25% | 0.245 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -13.7 | -174.5 | 68.7 | 0 | 0 | 0 | 0 | 113.9 | S222 R227 Q289 F293 | S222-T225 WeakPolarHBondContact CB-OG1 3.36Å; S222-T225 PolarHBondContact OG-N 3.36Å; S222-T225 PolarHBondContact OG-OG1 3.11Å; T225-R227 PolarHBondContact O-N 2.95Å; T225-R227 WeakPolarHBondContact OG1-CB 3.39Å; T225-R227 WeakPolarHBondContact OG1-CG 3.25Å; T225-R227 PolarHBondContact OG1-N 3.31Å; T225-Q289 PolarHBondContact OG1-NE2 3.49Å; T225-F293 HydrophobicContact CG2-CB 4.38Å; T225-F293 HydrophobicContact CG2-CD1 3.62Å; T225-F293 HydrophobicContact CG2-CD2 3.5Å; T225-F293 VanDerWaalsContact CG2-CD2 3.5Å; T225-F293 HydrophobicContact CG2-CE1 3.63Å; T225-F293 HydrophobicContact CG2-CE2 3.5Å; T225-F293 VanDerWaalsContact CG2-CE2 3.5Å; T225-F293 HydrophobicContact CG2-CG 3.56Å; T225-F293 HydrophobicContact CG2-CZ 3.57Å |
| 226 | G | 90.7 | Very high | 93.2 | Very high | 44 Ų | 44 | 59 Ų | 59 | 45% | 0.454 | 31% | 0.312 | S | S | . | . | trans | 69.9 | 1.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | S222 | S222-G226 VanDerWaalsContact O-CA 3.27Å; S222-G226 WeakPolarHBondContact O-CA 3.36Å; S222-G226 PolarHBondContact O-N 3.3Å | ||
| 227 | R | 92 | Very high | 93.2 | Very high | 49 Ų | 49 | 62.1 Ų | 62.1 | 19% | 0.185 | 33% | 0.326 | C | S | . | . | trans | -70 | 152.9 | 178.6 | -65.6 | -168.3 | -66.4 | -155.6 | -12.3 | 112.4 | P11 L12 E16 K221 S222 T225 W286 | P11-R227 PolarHBondContact O-NH1 3.29Å; L12-R227 VanDerWaalsContact CD2-CZ 3.49Å; L12-R227 VanDerWaalsContact CD2-NH2 3.25Å; E16-R227 IonicContact OE1-CZ 3.82Å; E16-R227 IonicContact OE1-NH1 2.94Å; E16-R227 PolarHBondContact OE1-NH1 2.95Å; E16-R227 IonicContact OE1-NH2 3.99Å; E16-R227 IonicContact OE2-CZ 3.99Å; E16-R227 IonicContact OE2-NH1 3.37Å; E16-R227 PolarHBondContact OE2-NH1 2.97Å; E16-R227 IonicContact OE2-NH2 3.9Å; K221-R227 CarbonylContact C-O 3.57Å; K221-R227 WeakPolarHBondContact CA-O 3.3Å; S222-R227 PolarHBondContact N-O 3.06Å; T225-R227 PolarHBondContact O-N 2.95Å; T225-R227 WeakPolarHBondContact OG1-CB 3.39Å; T225-R227 WeakPolarHBondContact OG1-CG 3.25Å; T225-R227 PolarHBondContact OG1-N 3.31Å; R227-W286 HydrophobicContact CB-CH2 3.71Å; R227-W286 HydrophobicContact CB-CZ2 4.25Å; R227-W286 HydrophobicContact CB-CZ3 4.5Å | ||
| 228 | G | 90.5 | Very high | 93.1 | Very high | 19 Ų | 19 | 62.3 Ų | 62.3 | 20% | 0.196 | 33% | 0.327 | C | S | . | . | trans | 80 | 173.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K221 | K221-G228 WeakPolarHBondContact CD-O 3.38Å; K221-G228 WeakPolarHBondContact CG-O 3.48Å | ||
| 229 | P | 94.2 | Very high | 93 | Very high | 73 Ų | 73 | 63.5 Ų | 63.5 | 47% | 0.474 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | cis | -65.7 | 155.6 | -7.2 | 29.1 | -34.7 | 0 | 0 | 0 | 112.8 | K218 Y220 | K218-P229 WeakPolarHBondContact O-CB 3.39Å; Y220-P229 VanDerWaalsContact O-CA 3.29Å; Y220-P229 WeakPolarHBondContact O-CA 3.32Å |
| 230 | L | 94.3 | Very high | 92.8 | Very high | 18 Ų | 18 | 63.2 Ų | 63.2 | 9% | 0.094 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 140.5 | 176.8 | -61 | 178.6 | 0 | 0 | 0 | 110.6 | P11 I201 V202 P217 W234 W286 | P11-L230 HydrophobicContact CG-CD1 3.75Å; P11-L230 HydrophobicContact CG-CD2 4.09Å; I201-L230 HydrophobicContact CD1-CD1 4.29Å; V202-L230 HydrophobicContact CG2-CB 3.77Å; V202-L230 HydrophobicContact CG2-CD1 3.68Å; V202-L230 HydrophobicContact CG2-CG 4.39Å; P217-L230 HydrophobicContact CB-CD1 4.04Å; P217-L230 PolarHBondContact O-N 2.9Å; L230-W234 HydrophobicContact CB-CB 4.08Å; L230-W234 HydrophobicContact CB-CG 4.38Å; L230-W234 HydrophobicContact CD1-CD2 4.46Å; L230-W234 HydrophobicContact CD2-CB 4.32Å; L230-W286 HydrophobicContact CD1-CD2 4.33Å; L230-W286 HydrophobicContact CD1-CZ2 3.95Å; L230-W286 HydrophobicContact CD2-CH2 4.09Å; L230-W286 HydrophobicContact CD2-CZ2 3.63Å; L230-W286 HydrophobicContact CG-CZ2 3.71Å |
| 231 | T | 94.1 | Very high | 92.6 | Very high | 56 Ų | 56 | 65.8 Ų | 65.8 | 34% | 0.344 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -85.9 | 170.9 | 175.3 | 60.6 | 0 | 0 | 0 | 0 | 111.1 | N233 W234 E237 | T231-N233 PolarHBondContact O-N 3.29Å; T231-W234 WeakPolarHBondContact O-CB 3.46Å; T231-W234 PolarHBondContact O-N 3.38Å; T231-W234 PolarHBondContact OG1-N 2.84Å; T231-E237 WeakPolarHBondContact CB-OE1 3.42Å; T231-E237 WeakPolarHBondContact CG2-OE1 3.45Å; T231-E237 PolarHBondContact OG1-OE1 2.88Å; T231-E237 PolarHBondContact OG1-OE2 3.32Å |
| 232 | D | 92.3 | Very high | 92.3 | Very high | 89 Ų | 89 | 62.9 Ų | 62.9 | 48% | 0.476 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -26 | 177 | -65.3 | -17.7 | 0 | 0 | 0 | 112.4 | N203 K218 | N203-D232 PolarHBondContact ND2-O 3.03Å; K218-D232 WeakPolarHBondContact CE-OD1 3.27Å; K218-D232 IonicContact NZ-OD1 2.73Å; K218-D232 PolarHBondContact NZ-OD1 2.73Å |
| 233 | N | 93.2 | Very high | 92.1 | Very high | 103 Ų | 103 | 69.9 Ų | 69.9 | 55% | 0.551 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | 32.7 | 178.5 | -61.6 | -7.1 | 0 | 0 | 0 | 111.9 | T231 V235 E236 E237 | T231-N233 PolarHBondContact O-N 3.29Å; N233-V235 PolarHBondContact O-N 3.48Å; N233-E236 VanDerWaalsContact C-OE2 3.3Å; N233-E236 VanDerWaalsContact CA-OE2 3.28Å; N233-E236 WeakPolarHBondContact CA-OE2 3.12Å; N233-E236 WeakPolarHBondContact CB-OE2 3.37Å; N233-E236 PolarHBondContact O-N 3.01Å; N233-E237 WeakPolarHBondContact O-CG 3.38Å; N233-E237 PolarHBondContact O-N 2.92Å |
| 234 | W | 94.7 | Very high | 92.1 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 1% | 0.011 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.1 | -29 | -172.9 | 69.3 | -84.9 | 0 | 0 | 0 | 113.3 | L9 P11 D200 I201 V202 L230 T231 C238 I245 | L9-W234 HydrophobicContact CB-CH2 3.6Å; L9-W234 HydrophobicContact CB-CZ2 3.94Å; P11-W234 HydrophobicContact CB-CE3 4.01Å; P11-W234 HydrophobicContact CB-CZ3 3.79Å; P11-W234 HydrophobicContact CG-CE3 4.15Å; P11-W234 HydrophobicContact CG-CZ3 3.94Å; D200-W234 PolarHBondContact OD1-NE1 3.47Å; I201-W234 HydrophobicContact CG1-CZ2 4.28Å; V202-W234 HydrophobicContact CG2-CD2 4.39Å; V202-W234 HydrophobicContact CG2-CG 3.99Å; V202-W234 VanDerWaalsContact CG2-NE1 3.33Å; L230-W234 HydrophobicContact CB-CB 4.08Å; L230-W234 HydrophobicContact CB-CG 4.38Å; L230-W234 HydrophobicContact CD1-CD2 4.46Å; L230-W234 HydrophobicContact CD2-CB 4.32Å; T231-W234 WeakPolarHBondContact O-CB 3.46Å; T231-W234 PolarHBondContact O-N 3.38Å; T231-W234 PolarHBondContact OG1-N 2.84Å; W234-C238 WeakPolarHBondContact O-CB 3.14Å; W234-C238 PolarHBondContact O-N 2.8Å; W234-C238 PolarHBondContact O-SG 2.63Å; W234-C238 VanDerWaalsContact O-SG 3.41Å; W234-I245 HydrophobicContact CZ3-CD1 4.07Å; W234-I245 HydrophobicContact CZ3-CG1 4.47Å |
| 235 | V | 93.4 | Very high | 92.2 | Very high | 21 Ų | 21 | 61.7 Ų | 61.7 | 13% | 0.127 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.1 | -51 | 178.9 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | L9 A177 N233 E237 C238 I239 I245 | L9-V235 HydrophobicContact CD1-CG1 4.24Å; L9-V235 HydrophobicContact CD1-CG2 3.94Å; A177-V235 HydrophobicContact CB-CG1 4.37Å; N233-V235 PolarHBondContact O-N 3.48Å; V235-E237 VanDerWaalsContact C-N 3.31Å; V235-E237 PolarHBondContact O-N 3.11Å; V235-C238 PolarHBondContact O-N 3.42Å; V235-I239 HydrophobicContact CG1-CD1 4.02Å; V235-I239 VanDerWaalsContact O-CG1 3.32Å; V235-I239 WeakPolarHBondContact O-CG1 3.02Å; V235-I239 PolarHBondContact O-N 2.77Å; V235-I245 HydrophobicContact CG1-CD1 3.95Å |
| 236 | E | 93.1 | Very high | 92.5 | Very high | 114 Ų | 114 | 59.8 Ų | 59.8 | 53% | 0.533 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 177.5 | -62.6 | 80.1 | -172.3 | 0 | 0 | 111.3 | N233 I239 A240 | N233-E236 VanDerWaalsContact C-OE2 3.3Å; N233-E236 VanDerWaalsContact CA-OE2 3.28Å; N233-E236 WeakPolarHBondContact CA-OE2 3.12Å; N233-E236 WeakPolarHBondContact CB-OE2 3.37Å; N233-E236 PolarHBondContact O-N 3.01Å; E236-I239 PolarHBondContact O-N 3.33Å; E236-A240 VanDerWaalsContact O-CB 3.24Å; E236-A240 WeakPolarHBondContact O-CB 3.23Å; E236-A240 PolarHBondContact O-N 3.32Å |
| 237 | E | 92.3 | Very high | 92.8 | Very high | 81 Ų | 81 | 57.7 Ų | 57.7 | 38% | 0.379 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 175.1 | -74.9 | 178.5 | -158.8 | 0 | 0 | 112.2 | T231 N233 V235 I239 A240 T241 | T231-E237 WeakPolarHBondContact CB-OE1 3.42Å; T231-E237 WeakPolarHBondContact CG2-OE1 3.45Å; T231-E237 PolarHBondContact OG1-OE1 2.88Å; T231-E237 PolarHBondContact OG1-OE2 3.32Å; N233-E237 WeakPolarHBondContact O-CG 3.38Å; N233-E237 PolarHBondContact O-N 2.92Å; V235-E237 VanDerWaalsContact C-N 3.31Å; V235-E237 PolarHBondContact O-N 3.11Å; E237-I239 VanDerWaalsContact C-N 3.35Å; E237-A240 PolarHBondContact O-N 2.78Å; E237-T241 WeakPolarHBondContact O-CB 3.48Å; E237-T241 WeakPolarHBondContact O-CG2 3.38Å; E237-T241 PolarHBondContact O-N 2.75Å; E237-T241 PolarHBondContact O-OG1 3.08Å |
| 238 | C | 92.2 | Very high | 93 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.034 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 176.6 | -80.2 | 0 | 0 | 0 | 0 | 111.4 | W234 V235 G242 R243 | W234-C238 WeakPolarHBondContact O-CB 3.14Å; W234-C238 PolarHBondContact O-N 2.8Å; W234-C238 PolarHBondContact O-SG 2.63Å; W234-C238 VanDerWaalsContact O-SG 3.41Å; V235-C238 PolarHBondContact O-N 3.42Å; C238-G242 CarbonylContact O-C 3.54Å; C238-G242 WeakPolarHBondContact O-CA 3.43Å; C238-G242 PolarHBondContact O-N 2.95Å; C238-R243 HydrophobicContact CB-CB 4.19Å; C238-R243 PolarHBondContact O-N 3.42Å |
| 239 | I | 91.4 | Very high | 93.4 | Very high | 103 Ų | 103 | 54.4 Ų | 54.4 | 53% | 0.528 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 176.7 | -65.7 | 166.5 | 0 | 0 | 0 | 110.6 | A177 V235 E236 E237 T241 G242 | A177-I239 HydrophobicContact CB-CD1 3.88Å; A177-I239 HydrophobicContact CB-CG1 4.35Å; V235-I239 HydrophobicContact CG1-CD1 4.02Å; V235-I239 VanDerWaalsContact O-CG1 3.32Å; V235-I239 WeakPolarHBondContact O-CG1 3.02Å; V235-I239 PolarHBondContact O-N 2.77Å; E236-I239 PolarHBondContact O-N 3.33Å; E237-I239 VanDerWaalsContact C-N 3.35Å; I239-T241 PolarHBondContact O-N 2.95Å; I239-G242 PolarHBondContact O-N 3.14Å |
| 240 | A | 91.2 | Very high | 93.5 | Very high | 87 Ų | 87 | 52.1 Ų | 52.1 | 72% | 0.719 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -67.7 | -34.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E236 E237 | E236-A240 VanDerWaalsContact O-CB 3.24Å; E236-A240 WeakPolarHBondContact O-CB 3.23Å; E236-A240 PolarHBondContact O-N 3.32Å; E237-A240 PolarHBondContact O-N 2.78Å |
| 241 | T | 90.8 | Very high | 93.7 | Very high | 85 Ų | 85 | 51.3 Ų | 51.3 | 52% | 0.521 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -90.1 | -7.2 | -180 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | E237 I239 R243 | E237-T241 WeakPolarHBondContact O-CB 3.48Å; E237-T241 WeakPolarHBondContact O-CG2 3.38Å; E237-T241 PolarHBondContact O-N 2.75Å; E237-T241 PolarHBondContact O-OG1 3.08Å; I239-T241 PolarHBondContact O-N 2.95Å; T241-R243 VanDerWaalsContact C-N 3.25Å; T241-R243 PolarHBondContact O-N 2.67Å; T241-R243 WeakPolarHBondContact OG1-CD 3.11Å; T241-R243 VanDerWaalsContact OG1-CG 3.31Å; T241-R243 WeakPolarHBondContact OG1-CG 3.48Å |
| 242 | G | 87.4 | Confident | 93.8 | Very high | 67 Ų | 67 | 48.7 Ų | 48.7 | 69% | 0.691 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 23.3 | -174 | 0 | 0 | 0 | 0 | 0 | 113.7 | C238 I239 | C238-G242 CarbonylContact O-C 3.54Å; C238-G242 WeakPolarHBondContact O-CA 3.43Å; C238-G242 PolarHBondContact O-N 2.95Å; I239-G242 PolarHBondContact O-N 3.14Å |
| 243 | R | 90.6 | Very high | 93.9 | Very high | 150 Ų | 150 | 46 Ų | 46 | 57% | 0.566 | 26% | 0.26 | S | S | * | . | trans | -70.1 | 149.8 | 174.8 | -76 | 174.9 | 180 | -179.4 | 3.3 | 110.5 | C238 T241 I245 | C238-R243 HydrophobicContact CB-CB 4.19Å; C238-R243 PolarHBondContact O-N 3.42Å; T241-R243 VanDerWaalsContact C-N 3.25Å; T241-R243 PolarHBondContact O-N 2.67Å; T241-R243 WeakPolarHBondContact OG1-CD 3.11Å; T241-R243 VanDerWaalsContact OG1-CG 3.31Å; T241-R243 WeakPolarHBondContact OG1-CG 3.48Å; R243-I245 PolarHBondContact O-N 3.45Å | ||
| 244 | P | 92.1 | Very high | 93.7 | Very high | 67 Ų | 67 | 41 Ų | 41 | 44% | 0.435 | 23% | 0.234 | S | C | . | . | trans | -55.2 | 129.9 | 176.5 | -24.9 | 33.7 | 0 | 0 | 0 | 112 | P11 | P11-P244 CarbonylContact C-O 3.53Å; P11-P244 VanDerWaalsContact C-O 3.29Å; P11-P244 WeakPolarHBondContact CA-O 3.35Å | ||
| 245 | I | 94.8 | Very high | 93.3 | Very high | 21 Ų | 21 | 44.6 Ų | 44.6 | 11% | 0.108 | 25% | 0.25 | C | S | . | . | trans | -136.4 | 137.4 | 171.2 | -170.7 | 164.6 | 0 | 0 | 0 | 108.2 | L10 L12 N175 D176 A177 W234 V235 R243 | L10-I245 WeakPolarHBondContact O-CA 3.31Å; L12-I245 CarbonylContact O-C 3.29Å; L12-I245 VanDerWaalsContact O-C 3.3Å; N175-I245 CarbonylContact C-O 3.6Å; N175-I245 WeakPolarHBondContact CA-O 3.08Å; D176-I245 PolarHBondContact N-O 2.87Å; A177-I245 HydrophobicContact CB-CD1 3.84Å; W234-I245 HydrophobicContact CZ3-CD1 4.07Å; W234-I245 HydrophobicContact CZ3-CG1 4.47Å; V235-I245 HydrophobicContact CG1-CD1 3.95Å; R243-I245 PolarHBondContact O-N 3.45Å | ||
| 246 | M | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 153.2 | 174.6 | 62.9 | 122.5 | -67.4 | 0 | 0 | 110.7 | L10 L12 V14 Y17 Y173 F174 D176 A248 | L10-M246 HydrophobicContact CB-CE 4.34Å; L10-M246 HydrophobicContact CB-CG 4.01Å; L10-M246 HydrophobicContact CB-SD 4.23Å; L10-M246 HydrophobicContact CD1-CE 4.13Å; L10-M246 HydrophobicContact CD1-SD 4.12Å; L10-M246 PolarHBondContact N-O 3.28Å; L10-M246 PolarHBondContact O-N 2.68Å; L12-M246 HydrophobicContact CB-CG 4.19Å; L12-M246 WeakPolarHBondContact O-CB 3.31Å; L12-M246 WeakPolarHBondContact O-CG 3.48Å; L12-M246 PolarHBondContact O-N 3.27Å; L12-M246 VanDerWaalsContact O-N 3.14Å; V14-M246 HydrophobicContact CG2-CB 3.99Å; Y17-M246 WeakPolarHBondContact CB-SD 3.32Å; Y17-M246 HydrophobicContact CD1-SD 3.85Å; Y17-M246 HydrophobicContact CD2-SD 4Å; Y17-M246 HydrophobicContact CG-SD 3.45Å; Y173-M246 HydrophobicContact CD1-CE 4.34Å; F174-M246 CarbonylContact O-C 3.52Å; F174-M246 WeakPolarHBondContact O-CA 3.16Å; F174-M246 WeakPolarHBondContact O-CB 3.43Å; D176-M246 CarbonylContact O-C 3.56Å; D176-M246 WeakPolarHBondContact O-CA 3.45Å; M246-A248 HydrophobicContact CE-CB 3.89Å |
| 247 | C | 97.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127.5 | 171.8 | -172.4 | 0 | 0 | 0 | 0 | 110.7 | I8 L9 F174 D176 Y249 | I8-C247 WeakPolarHBondContact O-CA 3.16Å; L9-C247 HydrophobicContact CD2-CB 3.84Å; F174-C247 PolarHBondContact N-O 3.26Å; F174-C247 PolarHBondContact O-N 2.77Å; D176-C247 PolarHBondContact O-N 3.39Å; D176-C247 WeakPolarHBondContact OD1-CB 3.34Å; C247-Y249 HydrophobicContact CB-CD2 4.06Å; C247-Y249 HydrophobicContact CB-CE2 3.54Å |
| 248 | A | 96.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 102.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | I8 Y173 M246 | I8-A248 HydrophobicContact CB-CB 4.34Å; I8-A248 PolarHBondContact N-O 3.15Å; I8-A248 PolarHBondContact O-N 2.97Å; Y173-A248 HydrophobicContact CD1-CB 3.67Å; Y173-A248 HydrophobicContact CE1-CB 3.53Å; M246-A248 HydrophobicContact CE-CB 3.89Å |
| 249 | Y | 98 | Very high | 88.6 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 117.6 | 172.2 | -63.4 | -100.3 | 0 | 0 | 0 | 107.5 | R7 T171 K172 F174 D176 G178 C179 Q180 V183 F184 C247 | R7-Y249 HydrophobicContact CG-CD1 3.86Å; R7-Y249 HydrophobicContact CG-CE1 4.04Å; T171-Y249 CarbonylContact C-O 3.42Å; T171-Y249 VanDerWaalsContact CA-O 3.23Å; T171-Y249 WeakPolarHBondContact CA-O 3.47Å; T171-Y249 WeakPolarHBondContact CG2-O 3.3Å; K172-Y249 PolarHBondContact N-O 3.43Å; K172-Y249 PolarHBondContact O-N 3.26Å; F174-Y249 HydrophobicContact CB-CE2 4.22Å; F174-Y249 AromaticContact CD2-CD2 3.78Å; F174-Y249 HydrophobicContact CD2-CD2 3.78Å; F174-Y249 AromaticContact CD2-CE2 3.8Å; F174-Y249 HydrophobicContact CD2-CE2 3.8Å; F174-Y249 HydrophobicContact CG-CE2 4.47Å; D176-Y249 WeakPolarHBondContact OD1-CE2 3.31Å; D176-Y249 PolarHBondContact OD1-OH 2.82Å; D176-Y249 PolarHBondContact OD2-OH 2.95Å; G178-Y249 WeakPolarHBondContact CA-OH 3.37Å; C179-Y249 PolarHBondContact N-OH 3.28Å; Q180-Y249 HydrophobicContact CB-CE1 4.45Å; Q180-Y249 WeakPolarHBondContact CB-OH 3.36Å; Q180-Y249 PolarHBondContact N-OH 2.89Å; Q180-Y249 VanDerWaalsContact N-OH 3.09Å; V183-Y249 HydrophobicContact CG1-CD1 4.21Å; V183-Y249 HydrophobicContact CG1-CE1 4.11Å; V183-Y249 HydrophobicContact CG1-CG 4.48Å; V183-Y249 HydrophobicContact CG2-CD1 3.76Å; V183-Y249 HydrophobicContact CG2-CD2 4.47Å; V183-Y249 HydrophobicContact CG2-CE1 4.47Å; V183-Y249 HydrophobicContact CG2-CG 3.76Å; F184-Y249 WeakPolarHBondContact CZ-O 3.43Å; C247-Y249 HydrophobicContact CB-CD2 4.06Å; C247-Y249 HydrophobicContact CB-CE2 3.54Å |
| 250 | K | 97.5 | Very high | 87.3 | Confident | 24 Ų | 24 | 46.3 Ų | 46.3 | 10% | 0.104 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 109.1 | -179.6 | -67.6 | -173.5 | 176.1 | -73.1 | 0 | 110.5 | E5 Y6 I8 E170 T171 M278 | E5-K250 CarbonylContact C-O 3.55Å; E5-K250 WeakPolarHBondContact CA-O 3.36Å; Y6-K250 PolarHBondContact N-O 3.05Å; Y6-K250 PolarHBondContact O-N 2.77Å; I8-K250 HydrophobicContact CD1-CD 3.91Å; E170-K250 CarbonylContact O-C 3.6Å; E170-K250 WeakPolarHBondContact O-CA 3.28Å; T171-K250 HydrophobicContact CG2-CG 3.68Å; T171-K250 PolarHBondContact OG1-NZ 2.89Å; K250-M278 HydrophobicContact CD-CE 4Å; K250-M278 HydrophobicContact CD-SD 3.73Å |
| 251 | L | 97.3 | Very high | 86.1 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 108.4 | 173 | -172.3 | 70.2 | 0 | 0 | 0 | 109.5 | T3 E5 V169 E170 F184 L186 | T3-L251 HydrophobicContact CG2-CD1 3.57Å; T3-L251 HydrophobicContact CG2-CG 4.23Å; E5-L251 HydrophobicContact CB-CD1 4.25Å; V169-L251 WeakPolarHBondContact CA-O 3.46Å; E170-L251 PolarHBondContact N-O 2.86Å; E170-L251 PolarHBondContact O-N 2.96Å; F184-L251 HydrophobicContact CB-CD2 4.19Å; F184-L251 HydrophobicContact CD1-CB 4.15Å; F184-L251 HydrophobicContact CD1-CD2 4.39Å; F184-L251 HydrophobicContact CD2-CB 3.86Å; F184-L251 HydrophobicContact CD2-CD2 4.35Å; F184-L251 HydrophobicContact CE1-CB 3.96Å; F184-L251 HydrophobicContact CE2-CB 3.64Å; F184-L251 HydrophobicContact CG-CB 4.1Å; F184-L251 HydrophobicContact CG-CD2 4.07Å; F184-L251 HydrophobicContact CZ-CB 3.68Å; L186-L251 HydrophobicContact CD1-CD1 4.09Å; L186-L251 HydrophobicContact CD1-CD2 4.2Å; L186-L251 HydrophobicContact CD2-CD2 3.73Å; L186-L251 HydrophobicContact CG-CD2 4.43Å |
| 252 | C | 96.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 119.2 | 179 | -63.2 | 0 | 0 | 0 | 0 | 110.2 | T3 K4 Y6 E168 H270 L274 | T3-C252 WeakPolarHBondContact CA-O 3.37Å; K4-C252 PolarHBondContact N-O 3.01Å; K4-C252 PolarHBondContact O-N 2.84Å; Y6-C252 HydrophobicContact CD2-CB 4.36Å; Y6-C252 HydrophobicContact CE2-CB 4Å; E168-C252 WeakPolarHBondContact O-CA 3.48Å; C252-H270 PolarHBondContact O-CE1 3.41Å; C252-L274 HydrophobicContact CB-CD1 3.88Å |
| 253 | K | 94.4 | Very high | 84.6 | Confident | 32 Ų | 32 | 44.2 Ų | 44.2 | 14% | 0.139 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 105.5 | 175.2 | -65.1 | 179 | -177.5 | 179.9 | 0 | 108.3 | M1 T3 L167 E168 E190 | M1-K253 HydrophobicContact CE-CD 4.17Å; M1-K253 HydrophobicContact CE-CG 4.33Å; M1-K253 HydrophobicContact CG-CB 4.36Å; M1-K253 HydrophobicContact SD-CB 3.86Å; M1-K253 HydrophobicContact SD-CD 4.3Å; M1-K253 HydrophobicContact SD-CG 4.31Å; T3-K253 HydrophobicContact CG2-CG 4.07Å; L167-K253 WeakPolarHBondContact CA-O 3.19Å; E168-K253 PolarHBondContact N-O 3.32Å; E168-K253 PolarHBondContact O-N 2.85Å; E190-K253 IonicContact OE1-NZ 2.75Å |
| 254 | V | 90.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123 | 175.7 | -174.3 | 0 | 0 | 0 | 0 | 109 | M1 L2 F165 L167 E266 V269 H270 L274 | M1-V254 CarbonylContact C-O 3.49Å; M1-V254 WeakPolarHBondContact CA-O 3.29Å; M1-V254 WeakPolarHBondContact CG-O 3.47Å; L2-V254 PolarHBondContact N-O 3.43Å; L2-V254 PolarHBondContact O-N 3.32Å; F165-V254 HydrophobicContact CE2-CG1 4.37Å; L167-V254 HydrophobicContact CD1-CG2 3.85Å; V254-E266 HydrophobicContact CG1-CB 4.31Å; V254-E266 HydrophobicContact CG1-CG 4.05Å; V254-V269 HydrophobicContact CG1-CB 4.15Å; V254-V269 HydrophobicContact CG1-CG1 4.01Å; V254-V269 HydrophobicContact CG2-CB 4.39Å; V254-V269 HydrophobicContact CG2-CG1 3.72Å; V254-H270 VanDerWaalsContact CG2-NE2 3.3Å; V254-H270 WeakPolarHBondContact CG2-NE2 3.48Å; V254-L274 HydrophobicContact CG2-CD1 3.98Å |
| 255 | Q | 85 | Confident | 83 | Confident | 77 Ų | 77 | 41 Ų | 41 | 36% | 0.36 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 117.2 | 172.9 | -177.8 | 175.1 | 0.1 | 0 | 0 | 109 | M1 F165 Y166 | M1-Q255 HydrophobicContact CB-CB 4.24Å; M1-Q255 HydrophobicContact CG-CB 4.2Å; F165-Q255 WeakPolarHBondContact CA-O 3.35Å; Y166-Q255 PolarHBondContact N-O 2.86Å; Y166-Q255 PolarHBondContact O-N 2.9Å |
| 256 | F | 79.2 | Confident | 82.6 | Confident | 11 Ų | 11 | 40.5 Ų | 40.5 | 5% | 0.048 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 95.2 | 172.9 | -174.7 | -101.7 | 0 | 0 | 0 | 109.2 | I162 F165 Y258 M261 Q262 V265 E266 | I162-F256 HydrophobicContact CG2-CE2 4.25Å; F165-F256 HydrophobicContact CB-CD2 4.05Å; F165-F256 AromaticContact CD2-CD2 3.91Å; F165-F256 HydrophobicContact CD2-CD2 3.91Å; F165-F256 HydrophobicContact CG-CD2 4.4Å; F256-Y258 VanDerWaalsContact C-N 3.3Å; F256-Y258 HydrophobicContact CD1-CD2 4.3Å; F256-Y258 HydrophobicContact CD2-CD2 4.13Å; F256-Y258 AromaticContact CE1-CD2 3.86Å; F256-Y258 HydrophobicContact CE1-CD2 3.86Å; F256-Y258 HydrophobicContact CE1-CG 4.1Å; F256-Y258 AromaticContact CE2-CD2 3.65Å; F256-Y258 HydrophobicContact CE2-CD2 3.65Å; F256-Y258 HydrophobicContact CE2-CE2 4.15Å; F256-Y258 HydrophobicContact CG-CD2 4.45Å; F256-Y258 AromaticContact CZ-CD2 3.49Å; F256-Y258 HydrophobicContact CZ-CD2 3.49Å; F256-Y258 VanDerWaalsContact CZ-CD2 3.49Å; F256-Y258 HydrophobicContact CZ-CE2 4.31Å; F256-Y258 HydrophobicContact CZ-CG 4Å; F256-Y258 PolarHBondContact O-N 2.78Å; F256-Y258 VanDerWaalsContact O-N 3.1Å; F256-M261 HydrophobicContact CE1-CB 4.3Å; F256-M261 HydrophobicContact CE1-CE 4.16Å; F256-M261 HydrophobicContact CZ-CE 4.4Å; F256-Q262 WeakPolarHBondContact O-CB 3.3Å; F256-Q262 WeakPolarHBondContact O-CG 3.08Å; F256-V265 HydrophobicContact CB-CB 4.45Å; F256-V265 HydrophobicContact CB-CG1 4.1Å; F256-V265 HydrophobicContact CD1-CB 3.62Å; F256-V265 HydrophobicContact CD1-CG1 3.72Å; F256-V265 HydrophobicContact CD1-CG2 3.9Å; F256-V265 HydrophobicContact CD2-CG1 3.87Å; F256-V265 HydrophobicContact CE1-CB 3.92Å; F256-V265 HydrophobicContact CE1-CG1 4.02Å; F256-V265 HydrophobicContact CE1-CG2 3.67Å; F256-V265 HydrophobicContact CE2-CG1 4.18Å; F256-V265 HydrophobicContact CG-CB 4.01Å; F256-V265 HydrophobicContact CG-CG1 3.62Å; F256-V265 HydrophobicContact CZ-CG1 4.25Å; F256-V265 HydrophobicContact CZ-CG2 4.25Å; F256-E266 HydrophobicContact CB-CG 3.94Å; F256-E266 PolarHBondContact N-OE1 3.23Å |
| 257 | N | 73.5 | Confident | 81.9 | Confident | 80 Ų | 80 | 46.4 Ų | 46.4 | 43% | 0.428 | 23% | 0.233 | S | C | . | . | trans | -91.4 | 58.7 | -170.9 | -166.7 | 13.7 | 0 | 0 | 0 | 112.4 | K164 | K164-N257 HydrophobicContact CB-CB 4.08Å; K164-N257 HydrophobicContact CD-CB 4.28Å; K164-N257 WeakPolarHBondContact CD-O 3.4Å; K164-N257 PolarHBondContact O-N 2.77Å | ||
| 258 | Y | 67.2 | Low | 81.2 | Confident | 46 Ų | 46 | 48.8 Ų | 48.8 | 18% | 0.18 | 24% | 0.243 | C | C | . | . | trans | -122.1 | 135.4 | 170.5 | -71.4 | -90.7 | 0 | 0 | 0 | 111.7 | I162 K164 F256 Q262 | I162-Y258 HydrophobicContact CG2-CD2 4.33Å; I162-Y258 HydrophobicContact CG2-CE2 3.32Å; K164-Y258 HydrophobicContact CB-CD2 4.13Å; K164-Y258 HydrophobicContact CB-CE2 3.55Å; F256-Y258 VanDerWaalsContact C-N 3.3Å; F256-Y258 HydrophobicContact CD1-CD2 4.3Å; F256-Y258 HydrophobicContact CD2-CD2 4.13Å; F256-Y258 AromaticContact CE1-CD2 3.86Å; F256-Y258 HydrophobicContact CE1-CD2 3.86Å; F256-Y258 HydrophobicContact CE1-CG 4.1Å; F256-Y258 AromaticContact CE2-CD2 3.65Å; F256-Y258 HydrophobicContact CE2-CD2 3.65Å; F256-Y258 HydrophobicContact CE2-CE2 4.15Å; F256-Y258 HydrophobicContact CG-CD2 4.45Å; F256-Y258 AromaticContact CZ-CD2 3.49Å; F256-Y258 HydrophobicContact CZ-CD2 3.49Å; F256-Y258 VanDerWaalsContact CZ-CD2 3.49Å; F256-Y258 HydrophobicContact CZ-CE2 4.31Å; F256-Y258 HydrophobicContact CZ-CG 4Å; F256-Y258 PolarHBondContact O-N 2.78Å; F256-Y258 VanDerWaalsContact O-N 3.1Å; Y258-Q262 PolarHBondContact O-N 2.76Å; Y258-Q262 VanDerWaalsContact O-N 3.12Å | ||
| 259 | W | 52.9 | Low | 80.5 | Confident | 164 Ų | 164 | 49.4 Ų | 49.4 | 62% | 0.621 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 144 | -173.3 | -178 | 82.7 | 0 | 0 | 0 | 113.2 | M261 P1017 F1044 | W259-M261 PolarHBondContact O-N 3.48Å; W259-P1017 HydrophobicContact CH2-CG 4.47Å; W259-P1017 HydrophobicContact CZ3-CG 4.14Å; W259-F1044 HydrophobicContact CB-CD1 4.34Å; W259-F1044 HydrophobicContact CB-CE1 3.87Å; W259-F1044 AromaticContact CD1-CD1 3.88Å; W259-F1044 HydrophobicContact CG-CD1 4.09Å; W259-F1044 HydrophobicContact CG-CE1 4.03Å |
| 260 | G | 63.6 | Low | 80.1 | Confident | 60 Ų | 60 | 49.4 Ų | 49.4 | 62% | 0.619 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74 | -15.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 261 | M | 66.6 | Low | 79.3 | Confident | 40 Ų | 40 | 51.3 Ų | 51.3 | 20% | 0.197 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | -15.7 | -174.3 | -75 | 177.3 | 23.2 | 0 | 0 | 114.6 | W130 I134 F256 W259 S263 K264 V265 | W130-M261 HydrophobicContact CE3-CE 4.26Å; W130-M261 HydrophobicContact CE3-SD 4.33Å; W130-M261 HydrophobicContact CH2-CE 3.86Å; W130-M261 HydrophobicContact CH2-SD 4.38Å; W130-M261 HydrophobicContact CZ3-CE 3.26Å; W130-M261 HydrophobicContact CZ3-SD 3.73Å; I134-M261 HydrophobicContact CD1-CE 3.48Å; I134-M261 VanDerWaalsContact CD1-CE 3.48Å; I134-M261 HydrophobicContact CD1-SD 3.33Å; I134-M261 WeakPolarHBondContact CD1-SD 3.37Å; I134-M261 HydrophobicContact CG2-CE 4.34Å; F256-M261 HydrophobicContact CE1-CB 4.3Å; F256-M261 HydrophobicContact CE1-CE 4.16Å; F256-M261 HydrophobicContact CZ-CE 4.4Å; W259-M261 PolarHBondContact O-N 3.48Å; M261-S263 PolarHBondContact O-N 2.84Å; M261-K264 PolarHBondContact O-N 3.43Å; M261-V265 HydrophobicContact CB-CG2 4.04Å; M261-V265 HydrophobicContact CE-CG2 3.9Å; M261-V265 WeakPolarHBondContact O-CG2 3.25Å; M261-V265 PolarHBondContact O-N 3.28Å |
| 262 | Q | 72 | Confident | 78.1 | Confident | 62 Ų | 62 | 53 Ų | 53 | 29% | 0.29 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -38.8 | -65.6 | 178.9 | 178 | 165.6 | 12.1 | 0 | 0 | 113.4 | F256 Y258 K264 V265 E266 | F256-Q262 WeakPolarHBondContact O-CB 3.3Å; F256-Q262 WeakPolarHBondContact O-CG 3.08Å; Y258-Q262 PolarHBondContact O-N 2.76Å; Y258-Q262 VanDerWaalsContact O-N 3.12Å; Q262-K264 VanDerWaalsContact C-N 3.27Å; Q262-K264 PolarHBondContact O-N 3.48Å; Q262-V265 PolarHBondContact O-N 2.92Å; Q262-E266 VanDerWaalsContact CG-CD 3.5Å; Q262-E266 HydrophobicContact CG-CG 4.19Å; Q262-E266 WeakPolarHBondContact CG-OE1 3.48Å; Q262-E266 PolarHBondContact NE2-OE1 3.33Å; Q262-E266 VanDerWaalsContact O-CB 3.32Å; Q262-E266 WeakPolarHBondContact O-CB 3.45Å; Q262-E266 VanDerWaalsContact O-CG 3.29Å; Q262-E266 WeakPolarHBondContact O-CG 3.43Å; Q262-E266 PolarHBondContact O-N 3.35Å |
| 263 | S | 75.1 | Confident | 77.3 | Confident | 93 Ų | 93 | 55 Ų | 55 | 65% | 0.65 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64.2 | -31.1 | -175.2 | -44.9 | 0 | 0 | 0 | 0 | 113.3 | M261 K267 | M261-S263 PolarHBondContact O-N 2.84Å; S263-K267 WeakPolarHBondContact O-CB 3.44Å; S263-K267 PolarHBondContact O-N 3.36Å; S263-K267 VanDerWaalsContact O-N 3.1Å |
| 264 | K | 74.8 | Confident | 77 | Confident | 147 Ų | 147 | 54.2 Ų | 54.2 | 64% | 0.639 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -73.7 | -42.2 | 178.2 | -71.1 | -178.8 | 179.9 | 173.8 | 0 | 111.6 | M261 Q262 F268 | M261-K264 PolarHBondContact O-N 3.43Å; Q262-K264 VanDerWaalsContact C-N 3.27Å; Q262-K264 PolarHBondContact O-N 3.48Å; K264-F268 WeakPolarHBondContact O-CB 3.44Å; K264-F268 PolarHBondContact O-N 2.82Å |
| 265 | V | 74.9 | Confident | 77.1 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72.1 | -49 | 178.9 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | W130 F131 F256 M261 Q262 K267 F268 V269 | W130-V265 HydrophobicContact CH2-CG2 3.73Å; W130-V265 HydrophobicContact CZ3-CG2 4.41Å; F131-V265 HydrophobicContact CE2-CG1 4.21Å; F131-V265 HydrophobicContact CE2-CG2 4.47Å; F256-V265 HydrophobicContact CB-CB 4.45Å; F256-V265 HydrophobicContact CB-CG1 4.1Å; F256-V265 HydrophobicContact CD1-CB 3.62Å; F256-V265 HydrophobicContact CD1-CG1 3.72Å; F256-V265 HydrophobicContact CD1-CG2 3.9Å; F256-V265 HydrophobicContact CD2-CG1 3.87Å; F256-V265 HydrophobicContact CE1-CB 3.92Å; F256-V265 HydrophobicContact CE1-CG1 4.02Å; F256-V265 HydrophobicContact CE1-CG2 3.67Å; F256-V265 HydrophobicContact CE2-CG1 4.18Å; F256-V265 HydrophobicContact CG-CB 4.01Å; F256-V265 HydrophobicContact CG-CG1 3.62Å; F256-V265 HydrophobicContact CZ-CG1 4.25Å; F256-V265 HydrophobicContact CZ-CG2 4.25Å; M261-V265 HydrophobicContact CB-CG2 4.04Å; M261-V265 HydrophobicContact CE-CG2 3.9Å; M261-V265 WeakPolarHBondContact O-CG2 3.25Å; M261-V265 PolarHBondContact O-N 3.28Å; Q262-V265 PolarHBondContact O-N 2.92Å; V265-K267 VanDerWaalsContact C-N 3.29Å; V265-K267 PolarHBondContact O-N 2.94Å; V265-F268 PolarHBondContact O-N 2.81Å; V265-F268 VanDerWaalsContact O-N 3.13Å; V265-V269 HydrophobicContact CG1-CG2 4.24Å; V265-V269 VanDerWaalsContact O-CG2 3.3Å; V265-V269 WeakPolarHBondContact O-CG2 3.46Å; V265-V269 PolarHBondContact O-N 3.05Å |
| 266 | E | 85 | Confident | 77.2 | Confident | 11 Ų | 11 | 56 Ų | 56 | 5% | 0.051 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.9 | -45.6 | 176 | -69.4 | 180 | 171.9 | 0 | 0 | 110.3 | M1 L2 V254 F256 Q262 V269 H270 | M1-E266 PolarHBondContact N-OE1 3.35Å; L2-E266 HydrophobicContact CB-CB 3.96Å; L2-E266 HydrophobicContact CD2-CB 4.31Å; L2-E266 PolarHBondContact N-OE2 3.12Å; V254-E266 HydrophobicContact CG1-CB 4.31Å; V254-E266 HydrophobicContact CG1-CG 4.05Å; F256-E266 HydrophobicContact CB-CG 3.94Å; F256-E266 PolarHBondContact N-OE1 3.23Å; Q262-E266 VanDerWaalsContact CG-CD 3.5Å; Q262-E266 HydrophobicContact CG-CG 4.19Å; Q262-E266 WeakPolarHBondContact CG-OE1 3.48Å; Q262-E266 PolarHBondContact NE2-OE1 3.33Å; Q262-E266 VanDerWaalsContact O-CB 3.32Å; Q262-E266 WeakPolarHBondContact O-CB 3.45Å; Q262-E266 VanDerWaalsContact O-CG 3.29Å; Q262-E266 WeakPolarHBondContact O-CG 3.43Å; Q262-E266 PolarHBondContact O-N 3.35Å; E266-V269 PolarHBondContact O-N 3.28Å; E266-H270 PolarHBondContact O-CD2 3.13Å; E266-H270 VanDerWaalsContact O-CD2 3.25Å; E266-H270 PolarHBondContact O-N 2.72Å |
| 267 | K | 82.7 | Confident | 77.6 | Confident | 125 Ų | 125 | 59.5 Ų | 59.5 | 54% | 0.543 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 175 | -175.4 | 172.5 | -178 | 173.2 | 0 | 113 | S263 V265 H270 D271 | S263-K267 WeakPolarHBondContact O-CB 3.44Å; S263-K267 PolarHBondContact O-N 3.36Å; S263-K267 VanDerWaalsContact O-N 3.1Å; V265-K267 VanDerWaalsContact C-N 3.29Å; V265-K267 PolarHBondContact O-N 2.94Å; K267-H270 PolarHBondContact O-N 3.45Å; K267-D271 WeakPolarHBondContact CE-OD2 3.23Å; K267-D271 VanDerWaalsContact CG-OD2 3.24Å; K267-D271 WeakPolarHBondContact CG-OD2 3.28Å; K267-D271 WeakPolarHBondContact O-CB 3.33Å; K267-D271 PolarHBondContact O-N 3.5Å |
| 268 | F | 81 | Confident | 78.5 | Confident | 50 Ų | 50 | 56.7 Ų | 56.7 | 22% | 0.219 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 177 | 170.8 | -97.3 | 0 | 0 | 0 | 112 | K264 V265 H270 F272 A273 | K264-F268 WeakPolarHBondContact O-CB 3.44Å; K264-F268 PolarHBondContact O-N 2.82Å; V265-F268 PolarHBondContact O-N 2.81Å; V265-F268 VanDerWaalsContact O-N 3.13Å; F268-H270 VanDerWaalsContact C-N 3.35Å; F268-H270 PolarHBondContact O-N 3.08Å; F268-F272 HydrophobicContact CD2-CB 4.04Å; F268-F272 HydrophobicContact CE2-CB 3.86Å; F268-F272 HydrophobicContact CE2-CD1 4.02Å; F268-F272 AromaticContact CE2-CG 3.92Å; F268-F272 HydrophobicContact CE2-CG 3.92Å; F268-F272 HydrophobicContact CZ-CB 4.34Å; F268-F272 AromaticContact CZ-CD1 3.95Å; F268-F272 HydrophobicContact CZ-CD1 3.95Å; F268-F272 HydrophobicContact CZ-CG 4.3Å; F268-F272 WeakPolarHBondContact O-CA 3.44Å; F268-F272 VanDerWaalsContact O-CB 3.29Å; F268-F272 WeakPolarHBondContact O-CB 3.41Å; F268-F272 PolarHBondContact O-N 3.16Å; F268-A273 PolarHBondContact O-N 3.46Å |
| 269 | V | 83.4 | Confident | 79.7 | Confident | 13 Ų | 13 | 54.7 Ų | 54.7 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -60.2 | -46.5 | 176.6 | 172.2 | 0 | 0 | 0 | 0 | 110 | V254 V265 E266 A273 L274 | V254-V269 HydrophobicContact CG1-CB 4.15Å; V254-V269 HydrophobicContact CG1-CG1 4.01Å; V254-V269 HydrophobicContact CG2-CB 4.39Å; V254-V269 HydrophobicContact CG2-CG1 3.72Å; V265-V269 HydrophobicContact CG1-CG2 4.24Å; V265-V269 VanDerWaalsContact O-CG2 3.3Å; V265-V269 WeakPolarHBondContact O-CG2 3.46Å; V265-V269 PolarHBondContact O-N 3.05Å; E266-V269 PolarHBondContact O-N 3.28Å; V269-A273 HydrophobicContact CG1-CB 4.4Å; V269-A273 CarbonylContact O-C 3.55Å; V269-A273 WeakPolarHBondContact O-CA 3.3Å; V269-A273 WeakPolarHBondContact O-CB 3.43Å; V269-A273 PolarHBondContact O-N 2.94Å; V269-L274 HydrophobicContact CG1-CD1 4.13Å; V269-L274 HydrophobicContact CG1-CG 4.17Å; V269-L274 WeakPolarHBondContact O-CG 3.47Å; V269-L274 PolarHBondContact O-N 3.15Å |
| 270 | H | 88.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -63.3 | -52.6 | 177 | -87.1 | -69.7 | 0 | 0 | 0 | 113.7 | L2 K4 Y6 C252 V254 E266 K267 F268 R275 | L2-H270 PolarHBondContact O-NE2 2.97Å; K4-H270 HydrophobicContact CD-CB 3.98Å; Y6-H270 AromaticContact CE2-ND1 3.83Å; Y6-H270 AromaticContact CZ-ND1 3.82Å; Y6-H270 WeakPolarHBondContact OH-CA 3.06Å; Y6-H270 WeakPolarHBondContact OH-CB 3.44Å; Y6-H270 PolarHBondContact OH-ND1 3.02Å; Y6-H270 PolarHBondContact OH-O 3.42Å; C252-H270 PolarHBondContact O-CE1 3.41Å; V254-H270 VanDerWaalsContact CG2-NE2 3.3Å; V254-H270 WeakPolarHBondContact CG2-NE2 3.48Å; E266-H270 PolarHBondContact O-CD2 3.13Å; E266-H270 VanDerWaalsContact O-CD2 3.25Å; E266-H270 PolarHBondContact O-N 2.72Å; K267-H270 PolarHBondContact O-N 3.45Å; F268-H270 VanDerWaalsContact C-N 3.35Å; F268-H270 PolarHBondContact O-N 3.08Å; H270-R275 VanDerWaalsContact O-CB 3.26Å; H270-R275 WeakPolarHBondContact O-CB 3.48Å; H270-R275 PolarHBondContact O-N 3.45Å |
| 271 | D | 81.1 | Confident | 82.8 | Confident | 64 Ų | 64 | 47.7 Ų | 47.7 | 34% | 0.342 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -77 | -35.9 | -169.5 | -64.2 | -10.5 | 0 | 0 | 0 | 111.7 | K4 K267 | K4-D271 IonicContact NZ-OD1 3.87Å; K4-D271 PolarHBondContact NZ-OD1 3.24Å; K267-D271 WeakPolarHBondContact CE-OD2 3.23Å; K267-D271 VanDerWaalsContact CG-OD2 3.24Å; K267-D271 WeakPolarHBondContact CG-OD2 3.28Å; K267-D271 WeakPolarHBondContact O-CB 3.33Å; K267-D271 PolarHBondContact O-N 3.5Å |
| 272 | F | 72.9 | Confident | 84.1 | Confident | 37 Ų | 37 | 46.1 Ų | 46.1 | 16% | 0.162 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -107.4 | -46.5 | -173.5 | -164.9 | -87.1 | 0 | 0 | 0 | 113.6 | F126 F127 F268 R276 | F126-F272 HydrophobicContact CB-CE2 4.05Å; F127-F272 HydrophobicContact CD2-CE1 4.38Å; F127-F272 HydrophobicContact CD2-CZ 4.3Å; F127-F272 AromaticContact CE2-CE1 3.91Å; F127-F272 HydrophobicContact CE2-CE1 3.91Å; F127-F272 HydrophobicContact CE2-CZ 4.16Å; F127-F272 HydrophobicContact CZ-CE1 4.08Å; F268-F272 HydrophobicContact CD2-CB 4.04Å; F268-F272 HydrophobicContact CE2-CB 3.86Å; F268-F272 HydrophobicContact CE2-CD1 4.02Å; F268-F272 AromaticContact CE2-CG 3.92Å; F268-F272 HydrophobicContact CE2-CG 3.92Å; F268-F272 HydrophobicContact CZ-CB 4.34Å; F268-F272 AromaticContact CZ-CD1 3.95Å; F268-F272 HydrophobicContact CZ-CD1 3.95Å; F268-F272 HydrophobicContact CZ-CG 4.3Å; F268-F272 WeakPolarHBondContact O-CA 3.44Å; F268-F272 VanDerWaalsContact O-CB 3.29Å; F268-F272 WeakPolarHBondContact O-CB 3.41Å; F268-F272 PolarHBondContact O-N 3.16Å; F272-R276 VanDerWaalsContact O-CB 3.28Å; F272-R276 WeakPolarHBondContact O-CB 3.33Å |
| 273 | A | 79.3 | Confident | 85.2 | Confident | 43 Ų | 43 | 44 Ų | 44 | 36% | 0.355 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -80.1 | -40.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F268 V269 T277 | F268-A273 PolarHBondContact O-N 3.46Å; V269-A273 HydrophobicContact CG1-CB 4.4Å; V269-A273 CarbonylContact O-C 3.55Å; V269-A273 WeakPolarHBondContact O-CA 3.3Å; V269-A273 WeakPolarHBondContact O-CB 3.43Å; V269-A273 PolarHBondContact O-N 2.94Å; A273-T277 WeakPolarHBondContact O-CB 3.3Å; A273-T277 PolarHBondContact O-OG1 3.44Å |
| 274 | L | 88.3 | Confident | 86 | Confident | 15 Ų | 15 | 39.8 Ų | 39.8 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -89.6 | -65.9 | -178 | -63.5 | 176.1 | 0 | 0 | 0 | 111.5 | Y6 L167 C252 V254 V269 R276 T277 M278 | Y6-L274 HydrophobicContact CE2-CB 4.46Å; L167-L274 HydrophobicContact CD1-CD1 4.01Å; L167-L274 HydrophobicContact CD1-CD2 4.47Å; L167-L274 HydrophobicContact CD2-CD2 3.99Å; C252-L274 HydrophobicContact CB-CD1 3.88Å; V254-L274 HydrophobicContact CG2-CD1 3.98Å; V269-L274 HydrophobicContact CG1-CD1 4.13Å; V269-L274 HydrophobicContact CG1-CG 4.17Å; V269-L274 WeakPolarHBondContact O-CG 3.47Å; V269-L274 PolarHBondContact O-N 3.15Å; L274-R276 PolarHBondContact O-N 2.8Å; L274-T277 PolarHBondContact O-N 2.83Å; L274-M278 HydrophobicContact CB-CE 4.07Å; L274-M278 HydrophobicContact CD2-CE 4.04Å; L274-M278 WeakPolarHBondContact O-CB 3.44Å; L274-M278 VanDerWaalsContact O-CG 3.27Å; L274-M278 WeakPolarHBondContact O-CG 3.06Å; L274-M278 PolarHBondContact O-N 3.11Å |
| 275 | R | 91.9 | Very high | 86.9 | Confident | 56 Ų | 56 | 32.8 Ų | 32.8 | 21% | 0.211 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -58.1 | -49.3 | -171.5 | -168.4 | -171.5 | -165.3 | -75 | -5.8 | 112.7 | Y6 D197 M199 D204 H270 T277 M278 L279 | Y6-R275 HydrophobicContact CD1-CG 4.38Å; Y6-R275 HydrophobicContact CE1-CB 3.8Å; Y6-R275 HydrophobicContact CE1-CG 3.86Å; D197-R275 IonicContact OD1-CZ 2.87Å; D197-R275 IonicContact OD1-NE 3.37Å; D197-R275 PolarHBondContact OD1-NE 3.42Å; D197-R275 IonicContact OD1-NH2 2.87Å; D197-R275 PolarHBondContact OD1-NH2 3.32Å; D197-R275 VanDerWaalsContact OD2-CD 3.29Å; D197-R275 WeakPolarHBondContact OD2-CD 3.47Å; D197-R275 IonicContact OD2-CZ 3.99Å; D197-R275 IonicContact OD2-NE 3.33Å; D197-R275 PolarHBondContact OD2-NE 3.41Å; D197-R275 IonicContact OD2-NH2 3.2Å; M199-R275 HydrophobicContact CE-CG 3.84Å; M199-R275 VanDerWaalsContact CE-O 3.23Å; M199-R275 WeakPolarHBondContact CE-O 3.35Å; M199-R275 HydrophobicContact SD-CG 4.01Å; D204-R275 IonicContact OD2-CZ 2.75Å; D204-R275 VanDerWaalsContact OD2-CZ 3.32Å; D204-R275 IonicContact OD2-NH1 2.91Å; D204-R275 PolarHBondContact OD2-NH1 2.84Å; D204-R275 IonicContact OD2-NH2 3.55Å; D204-R275 PolarHBondContact OD2-NH2 2.67Å; H270-R275 VanDerWaalsContact O-CB 3.26Å; H270-R275 WeakPolarHBondContact O-CB 3.48Å; H270-R275 PolarHBondContact O-N 3.45Å; R275-T277 PolarHBondContact O-N 2.88Å; R275-M278 PolarHBondContact O-N 2.91Å; R275-L279 WeakPolarHBondContact O-CB 3.32Å; R275-L279 PolarHBondContact O-N 3.4Å |
| 276 | R | 87.1 | Confident | 87.8 | Confident | 57 Ų | 57 | 32.9 Ų | 32.9 | 22% | 0.215 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.6 | -44.6 | 180 | -176.8 | -179.2 | 170.4 | 167 | -4.9 | 112 | D210 F272 L274 L279 R280 | D210-R276 IonicContact OD1-NH2 3.21Å; D210-R276 PolarHBondContact OD1-NH2 3.49Å; D210-R276 VanDerWaalsContact OD1-NH2 3.08Å; D210-R276 IonicContact OD2-CZ 3.11Å; D210-R276 IonicContact OD2-NE 3.03Å; D210-R276 PolarHBondContact OD2-NE 3.13Å; D210-R276 IonicContact OD2-NH2 3.28Å; D210-R276 PolarHBondContact OD2-NH2 2.94Å; F272-R276 VanDerWaalsContact O-CB 3.28Å; F272-R276 WeakPolarHBondContact O-CB 3.33Å; L274-R276 PolarHBondContact O-N 2.8Å; R276-L279 PolarHBondContact O-N 3.27Å; R276-R280 WeakPolarHBondContact O-CB 3.38Å; R276-R280 PolarHBondContact O-N 3.39Å; R276-R280 VanDerWaalsContact O-N 3.09Å |
| 277 | T | 87.1 | Confident | 88.3 | Confident | 85 Ų | 85 | 32.7 Ų | 32.7 | 52% | 0.521 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.3 | -44.3 | 179.3 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | A273 L274 R275 R280 A281 | A273-T277 WeakPolarHBondContact O-CB 3.3Å; A273-T277 PolarHBondContact O-OG1 3.44Å; L274-T277 PolarHBondContact O-N 2.83Å; R275-T277 PolarHBondContact O-N 2.88Å; T277-R280 PolarHBondContact O-N 2.79Å; T277-A281 VanDerWaalsContact O-CB 3.26Å; T277-A281 WeakPolarHBondContact O-CB 3.49Å; T277-A281 PolarHBondContact O-N 3.46Å |
| 278 | M | 92 | Very high | 88.8 | Confident | 22 Ų | 22 | 27.3 Ų | 27.3 | 11% | 0.108 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.4 | -50 | 176 | -71.5 | 177.3 | -167.2 | 0 | 0 | 111.1 | Y6 I8 M199 K250 L274 R275 R280 A281 H282 | Y6-M278 HydrophobicContact CD2-SD 4.15Å; Y6-M278 HydrophobicContact CG-SD 4.34Å; I8-M278 HydrophobicContact CD1-CB 3.93Å; I8-M278 HydrophobicContact CD1-CG 4.36Å; I8-M278 HydrophobicContact CD1-SD 4.14Å; M199-M278 HydrophobicContact CE-CB 4.04Å; M199-M278 HydrophobicContact SD-CB 4.46Å; K250-M278 HydrophobicContact CD-CE 4Å; K250-M278 HydrophobicContact CD-SD 3.73Å; L274-M278 HydrophobicContact CB-CE 4.07Å; L274-M278 HydrophobicContact CD2-CE 4.04Å; L274-M278 WeakPolarHBondContact O-CB 3.44Å; L274-M278 VanDerWaalsContact O-CG 3.27Å; L274-M278 WeakPolarHBondContact O-CG 3.06Å; L274-M278 PolarHBondContact O-N 3.11Å; R275-M278 PolarHBondContact O-N 2.91Å; M278-R280 VanDerWaalsContact C-N 3.3Å; M278-R280 PolarHBondContact O-N 3.02Å; M278-A281 PolarHBondContact O-N 3.16Å; M278-H282 PolarHBondContact O-N 3.44Å; M278-H282 PolarHBondContact O-ND1 3Å |
| 279 | L | 92.2 | Very high | 89.4 | Confident | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.3 | -46.2 | -179.3 | -174 | 60.8 | 0 | 0 | 0 | 111.5 | M199 D204 I206 R275 R276 H282 R283 | M199-L279 HydrophobicContact CE-CB 3.48Å; M199-L279 VanDerWaalsContact CE-CB 3.48Å; M199-L279 HydrophobicContact CE-CD1 4.12Å; M199-L279 HydrophobicContact CE-CG 4.34Å; D204-L279 HydrophobicContact CB-CD1 3.97Å; D204-L279 HydrophobicContact CB-CD2 3.57Å; D204-L279 HydrophobicContact CB-CG 4.43Å; I206-L279 HydrophobicContact CD1-CD2 4.23Å; I206-L279 HydrophobicContact CD1-CG 4.18Å; I206-L279 HydrophobicContact CG1-CD2 3.76Å; I206-L279 HydrophobicContact CG1-CG 4.26Å; R275-L279 WeakPolarHBondContact O-CB 3.32Å; R275-L279 PolarHBondContact O-N 3.4Å; R276-L279 PolarHBondContact O-N 3.27Å; L279-H282 PolarHBondContact O-N 3.26Å; L279-R283 WeakPolarHBondContact O-CG 3.32Å; L279-R283 PolarHBondContact O-N 3.33Å; L279-R283 VanDerWaalsContact O-N 3.12Å |
| 280 | R | 90.7 | Very high | 89.8 | Confident | 47 Ų | 47 | 26.5 Ų | 26.5 | 18% | 0.177 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.6 | -48.4 | 177.8 | -177.3 | 179.9 | 177.1 | 173.7 | 2.9 | 111.7 | D210 R276 T277 M278 H282 R283 Q284 | D210-R280 IonicContact OD1-NH1 3.39Å; D210-R280 PolarHBondContact OD1-NH1 3.39Å; D210-R280 IonicContact OD2-NH1 3.22Å; R276-R280 WeakPolarHBondContact O-CB 3.38Å; R276-R280 PolarHBondContact O-N 3.39Å; R276-R280 VanDerWaalsContact O-N 3.09Å; T277-R280 PolarHBondContact O-N 2.79Å; M278-R280 VanDerWaalsContact C-N 3.3Å; M278-R280 PolarHBondContact O-N 3.02Å; R280-H282 VanDerWaalsContact C-N 3.32Å; R280-H282 PolarHBondContact O-N 3.14Å; R280-R283 PolarHBondContact O-N 2.73Å; R280-Q284 WeakPolarHBondContact O-CG 3.27Å; R280-Q284 PolarHBondContact O-N 2.67Å |
| 281 | A | 91 | Very high | 90 | Very high | 30 Ų | 30 | 30.9 Ų | 30.9 | 25% | 0.248 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59 | -43 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T277 M278 R283 Q284 A285 | T277-A281 VanDerWaalsContact O-CB 3.26Å; T277-A281 WeakPolarHBondContact O-CB 3.49Å; T277-A281 PolarHBondContact O-N 3.46Å; M278-A281 PolarHBondContact O-N 3.16Å; A281-R283 PolarHBondContact O-N 2.92Å; A281-Q284 CarbonylContact O-C 3.5Å; A281-Q284 WeakPolarHBondContact O-CB 3.43Å; A281-Q284 PolarHBondContact O-N 3.19Å; A281-Q284 VanDerWaalsContact O-N 3.14Å; A281-A285 PolarHBondContact O-N 2.8Å |
| 282 | H | 94.8 | Very high | 90.6 | Very high | 6 Ų | 6 | 28 Ų | 28 | 3% | 0.028 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -72.8 | -29.5 | -178.2 | -65.3 | 68.7 | 0 | 0 | 0 | 112.4 | I8 L10 Y17 I201 M278 L279 R280 A285 W286 | I8-H282 WeakPolarHBondContact CD1-CE1 3.27Å; I8-H282 WeakPolarHBondContact CD1-NE2 3.35Å; I8-H282 HydrophobicContact CG2-CB 3.93Å; I8-H282 VanDerWaalsContact CG2-CD2 3.43Å; I8-H282 WeakPolarHBondContact CG2-CD2 3.34Å; L10-H282 HydrophobicContact CD2-CB 4.32Å; Y17-H282 PolarHBondContact OH-CD2 3.17Å; Y17-H282 PolarHBondContact OH-NE2 3.25Å; Y17-H282 VanDerWaalsContact OH-NE2 3.11Å; I201-H282 HydrophobicContact CG2-CB 3.94Å; M278-H282 PolarHBondContact O-N 3.44Å; M278-H282 PolarHBondContact O-ND1 3Å; L279-H282 PolarHBondContact O-N 3.26Å; R280-H282 VanDerWaalsContact C-N 3.32Å; R280-H282 PolarHBondContact O-N 3.14Å; H282-A285 VanDerWaalsContact O-CB 3.26Å; H282-A285 WeakPolarHBondContact O-CB 3.49Å; H282-A285 PolarHBondContact O-N 3.4Å; H282-W286 PolarHBondContact O-N 2.83Å |
| 283 | R | 94.4 | Very high | 91.5 | Very high | 17 Ų | 17 | 29.6 Ų | 29.6 | 6% | 0.064 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.2 | -39.3 | 167.1 | -73.7 | 176.6 | 80 | 145 | 7.1 | 112.4 | I201 D216 P217 L279 R280 A281 A285 W286 A287 | I201-R283 HydrophobicContact CB-CG 3.96Å; I201-R283 WeakPolarHBondContact O-CD 3.08Å; I201-R283 VanDerWaalsContact O-CG 3.31Å; I201-R283 WeakPolarHBondContact O-CG 3.43Å; D216-R283 IonicContact OD1-NH2 3.59Å; D216-R283 PolarHBondContact OD1-NH2 2.7Å; D216-R283 IonicContact OD2-NH2 3.65Å; P217-R283 VanDerWaalsContact CD-NH2 3.34Å; P217-R283 HydrophobicContact CG-CB 4.35Å; P217-R283 HydrophobicContact CG-CG 3.9Å; L279-R283 WeakPolarHBondContact O-CG 3.32Å; L279-R283 PolarHBondContact O-N 3.33Å; L279-R283 VanDerWaalsContact O-N 3.12Å; R280-R283 PolarHBondContact O-N 2.73Å; A281-R283 PolarHBondContact O-N 2.92Å; R283-A285 VanDerWaalsContact C-N 3.32Å; R283-W286 PolarHBondContact O-N 2.98Å; R283-A287 WeakPolarHBondContact O-CB 3.36Å; R283-A287 PolarHBondContact O-N 3.34Å |
| 284 | Q | 93 | Very high | 92 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 3% | 0.028 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.2 | -37 | 174.6 | -70.4 | 177.5 | -24.9 | 0 | 0 | 111.3 | E215 R280 A281 W286 A287 W288 | E215-Q284 HydrophobicContact CG-CG 4.33Å; E215-Q284 PolarHBondContact OE1-NE2 3.41Å; E215-Q284 VanDerWaalsContact OE2-CG 3.29Å; E215-Q284 WeakPolarHBondContact OE2-CG 3.18Å; E215-Q284 PolarHBondContact OE2-NE2 2.95Å; R280-Q284 WeakPolarHBondContact O-CG 3.27Å; R280-Q284 PolarHBondContact O-N 2.67Å; A281-Q284 CarbonylContact O-C 3.5Å; A281-Q284 WeakPolarHBondContact O-CB 3.43Å; A281-Q284 PolarHBondContact O-N 3.19Å; A281-Q284 VanDerWaalsContact O-N 3.14Å; Q284-W286 VanDerWaalsContact C-N 3.28Å; Q284-W286 PolarHBondContact O-N 3.09Å; Q284-A287 PolarHBondContact O-N 2.84Å; Q284-W288 HydrophobicContact CB-CD2 3.98Å; Q284-W288 HydrophobicContact CB-CE3 3.89Å; Q284-W288 HydrophobicContact CB-CH2 3.98Å; Q284-W288 HydrophobicContact CB-CZ2 4.05Å; Q284-W288 HydrophobicContact CB-CZ3 3.89Å; Q284-W288 HydrophobicContact CG-CH2 4.02Å; Q284-W288 HydrophobicContact CG-CZ2 3.86Å; Q284-W288 HydrophobicContact CG-CZ3 4.44Å; Q284-W288 WeakPolarHBondContact O-CB 3.38Å; Q284-W288 VanDerWaalsContact O-CG 3.22Å; Q284-W288 PolarHBondContact O-N 3.22Å |
| 285 | A | 92.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -52.9 | -50.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y17 M24 A281 H282 R283 W292 | Y17-A285 HydrophobicContact CE2-CB 4.28Å; M24-A285 HydrophobicContact CE-CB 3.37Å; M24-A285 HydrophobicContact CG-CB 4.46Å; M24-A285 WeakPolarHBondContact SD-CA 3.49Å; M24-A285 HydrophobicContact SD-CB 3.25Å; M24-A285 WeakPolarHBondContact SD-CB 3.44Å; M24-A285 PolarHBondContact SD-N 3.4Å; A281-A285 PolarHBondContact O-N 2.8Å; H282-A285 VanDerWaalsContact O-CB 3.26Å; H282-A285 WeakPolarHBondContact O-CB 3.49Å; H282-A285 PolarHBondContact O-N 3.4Å; R283-A285 VanDerWaalsContact C-N 3.32Å; A285-W292 VanDerWaalsContact O-CZ2 3.29Å; A285-W292 WeakPolarHBondContact O-CZ2 3.46Å; A285-W292 PolarHBondContact O-NE1 3.42Å |
| 286 | W | 94.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.1 | -51.6 | 178.6 | 179.2 | -110.6 | 0 | 0 | 0 | 112.1 | P11 L12 Y220 R227 L230 H282 R283 Q284 W288 Q289 | P11-W286 HydrophobicContact CB-CH2 4.35Å; P11-W286 HydrophobicContact CB-CZ3 4.21Å; P11-W286 HydrophobicContact CG-CD2 4.3Å; P11-W286 HydrophobicContact CG-CE3 3.78Å; P11-W286 HydrophobicContact CG-CH2 3.75Å; P11-W286 HydrophobicContact CG-CZ2 4.31Å; P11-W286 HydrophobicContact CG-CZ3 3.5Å; L12-W286 HydrophobicContact CD2-CE3 4.13Å; L12-W286 HydrophobicContact CD2-CZ3 4.01Å; Y220-W286 AromaticContact CD1-CD1 3.97Å; Y220-W286 AromaticContact CD1-NE1 3.83Å; Y220-W286 WeakPolarHBondContact CE1-O 3.49Å; R227-W286 HydrophobicContact CB-CH2 3.71Å; R227-W286 HydrophobicContact CB-CZ2 4.25Å; R227-W286 HydrophobicContact CB-CZ3 4.5Å; L230-W286 HydrophobicContact CD1-CD2 4.33Å; L230-W286 HydrophobicContact CD1-CZ2 3.95Å; L230-W286 HydrophobicContact CD2-CH2 4.09Å; L230-W286 HydrophobicContact CD2-CZ2 3.63Å; L230-W286 HydrophobicContact CG-CZ2 3.71Å; H282-W286 PolarHBondContact O-N 2.83Å; R283-W286 PolarHBondContact O-N 2.98Å; Q284-W286 VanDerWaalsContact C-N 3.28Å; Q284-W286 PolarHBondContact O-N 3.09Å; W286-W288 VanDerWaalsContact C-N 3.28Å; W286-W288 PolarHBondContact O-N 2.8Å; W286-Q289 WeakPolarHBondContact O-CB 3.32Å; W286-Q289 VanDerWaalsContact O-CG 3.26Å; W286-Q289 WeakPolarHBondContact O-CG 2.95Å; W286-Q289 PolarHBondContact O-N 3.49Å |
| 287 | A | 94 | Very high | 92 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -71.6 | -19.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E215 Y220 R283 Q284 | E215-A287 HydrophobicContact CB-CB 4.29Å; Y220-A287 HydrophobicContact CD1-CB 4.47Å; Y220-A287 HydrophobicContact CD2-CB 4.27Å; Y220-A287 WeakPolarHBondContact CE2-O 3.48Å; Y220-A287 HydrophobicContact CG-CB 4.18Å; Y220-A287 PolarHBondContact OH-O 3.4Å; R283-A287 WeakPolarHBondContact O-CB 3.36Å; R283-A287 PolarHBondContact O-N 3.34Å; Q284-A287 PolarHBondContact O-N 2.84Å |
| 288 | W | 93.9 | Very high | 92 | Very high | 13 Ų | 13 | 36.9 Ų | 36.9 | 5% | 0.049 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 10.9 | 178.8 | -60.6 | -19.1 | 0 | 0 | 0 | 113.3 | Y23 M24 R27 Q284 W286 D290 E291 W292 | Y23-W288 HydrophobicContact CE1-CE3 4.36Å; M24-W288 HydrophobicContact CG-CE3 4.21Å; M24-W288 HydrophobicContact CG-CZ3 4.46Å; R27-W288 HydrophobicContact CB-CZ3 4.32Å; R27-W288 HydrophobicContact CG-CH2 4.22Å; R27-W288 HydrophobicContact CG-CZ3 4.02Å; R27-W288 VanDerWaalsContact CZ-CE2 3.44Å; R27-W288 VanDerWaalsContact NH1-CG 3.26Å; Q284-W288 HydrophobicContact CB-CD2 3.98Å; Q284-W288 HydrophobicContact CB-CE3 3.89Å; Q284-W288 HydrophobicContact CB-CH2 3.98Å; Q284-W288 HydrophobicContact CB-CZ2 4.05Å; Q284-W288 HydrophobicContact CB-CZ3 3.89Å; Q284-W288 HydrophobicContact CG-CH2 4.02Å; Q284-W288 HydrophobicContact CG-CZ2 3.86Å; Q284-W288 HydrophobicContact CG-CZ3 4.44Å; Q284-W288 WeakPolarHBondContact O-CB 3.38Å; Q284-W288 VanDerWaalsContact O-CG 3.22Å; Q284-W288 PolarHBondContact O-N 3.22Å; W286-W288 VanDerWaalsContact C-N 3.28Å; W286-W288 PolarHBondContact O-N 2.8Å; W288-D290 PolarHBondContact O-N 3.2Å; W288-D290 VanDerWaalsContact O-N 3.15Å; W288-E291 WeakPolarHBondContact O-CB 3.41Å; W288-E291 PolarHBondContact O-N 3.42Å; W288-W292 PolarHBondContact O-N 3.37Å; W288-W292 PolarHBondContact O-NE1 3.02Å |
| 289 | Q | 92.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.6 | -30.7 | -176.8 | 66.8 | 166.8 | 110.6 | 0 | 0 | 114.1 | Y220 S222 T225 W286 E291 W292 F293 | Y220-Q289 HydrophobicContact CE1-CG 3.83Å; Y220-Q289 WeakPolarHBondContact OH-CG 3.12Å; S222-Q289 PolarHBondContact OG-NE2 2.78Å; T225-Q289 PolarHBondContact OG1-NE2 3.49Å; W286-Q289 WeakPolarHBondContact O-CB 3.32Å; W286-Q289 VanDerWaalsContact O-CG 3.26Å; W286-Q289 WeakPolarHBondContact O-CG 2.95Å; W286-Q289 PolarHBondContact O-N 3.49Å; Q289-E291 PolarHBondContact O-N 2.75Å; Q289-E291 VanDerWaalsContact O-N 3.11Å; Q289-W292 VanDerWaalsContact CA-CE2 3.41Å; Q289-W292 VanDerWaalsContact CA-NE1 3.35Å; Q289-W292 HydrophobicContact CB-CH2 4.1Å; Q289-W292 HydrophobicContact CB-CZ2 3.5Å; Q289-W292 PolarHBondContact O-N 3.43Å; Q289-F293 WeakPolarHBondContact O-CB 3.48Å; Q289-F293 PolarHBondContact O-N 3.14Å |
| 290 | D | 93.1 | Very high | 91.5 | Very high | 46 Ų | 46 | 38 Ų | 38 | 25% | 0.246 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.3 | -20.1 | 175.4 | -71.9 | -19.8 | 0 | 0 | 0 | 112.9 | Y220 S222 K223 V224 W288 | Y220-D290 PolarHBondContact OH-OD2 2.72Å; Y220-D290 VanDerWaalsContact OH-OD2 3.13Å; S222-D290 WeakPolarHBondContact CA-OD1 3.48Å; S222-D290 VanDerWaalsContact CB-OD1 3.31Å; S222-D290 WeakPolarHBondContact CB-OD1 3.44Å; S222-D290 PolarHBondContact OG-OD1 2.77Å; K223-D290 VanDerWaalsContact N-CG 3.33Å; K223-D290 PolarHBondContact N-OD1 3.48Å; K223-D290 PolarHBondContact N-OD2 2.69Å; V224-D290 WeakPolarHBondContact CB-OD1 3.24Å; V224-D290 HydrophobicContact CG2-CB 3.91Å; V224-D290 WeakPolarHBondContact CG2-OD1 3.49Å; V224-D290 PolarHBondContact N-OD1 3.25Å; W288-D290 PolarHBondContact O-N 3.2Å; W288-D290 VanDerWaalsContact O-N 3.15Å |
| 291 | E | 93.1 | Very high | 91.3 | Very high | 92 Ų | 92 | 38.4 Ų | 38.4 | 43% | 0.43 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -93 | -31.5 | -178.1 | -55.2 | -175.4 | -133.8 | 0 | 0 | 112.6 | Y23 R27 W288 Q289 | Y23-E291 HydrophobicContact CE1-CB 4.32Å; Y23-E291 PolarHBondContact OH-OE2 2.78Å; R27-E291 IonicContact CZ-OE1 3.83Å; R27-E291 IonicContact CZ-OE2 2.94Å; R27-E291 IonicContact NH1-OE1 2.69Å; R27-E291 PolarHBondContact NH1-OE1 3.27Å; R27-E291 IonicContact NH1-OE2 3.22Å; R27-E291 PolarHBondContact NH1-OE2 3.25Å; R27-E291 IonicContact NH2-OE1 2.82Å; R27-E291 PolarHBondContact NH2-OE1 2.69Å; R27-E291 IonicContact NH2-OE2 2.81Å; W288-E291 WeakPolarHBondContact O-CB 3.41Å; W288-E291 PolarHBondContact O-N 3.42Å; Q289-E291 PolarHBondContact O-N 2.75Å; Q289-E291 VanDerWaalsContact O-N 3.11Å |
| 292 | W | 94 | Very high | 91.1 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -111.2 | -16 | -175 | 61.7 | -106.3 | 0 | 0 | 0 | 115.3 | L12 E16 V19 A20 Y23 A285 W288 Q289 N294 L295 | L12-W292 HydrophobicContact CD1-CH2 3.97Å; L12-W292 HydrophobicContact CD1-CZ2 4.14Å; L12-W292 HydrophobicContact CD2-CH2 4Å; E16-W292 HydrophobicContact CB-CZ3 4.39Å; E16-W292 WeakPolarHBondContact O-CZ3 3.43Å; V19-W292 HydrophobicContact CG1-CE3 4.4Å; V19-W292 WeakPolarHBondContact CG1-O 3.36Å; A20-W292 HydrophobicContact CB-CD2 3.65Å; A20-W292 VanDerWaalsContact CB-CE2 3.41Å; A20-W292 HydrophobicContact CB-CE3 3.83Å; A20-W292 HydrophobicContact CB-CG 4.4Å; A20-W292 HydrophobicContact CB-CH2 3.72Å; A20-W292 HydrophobicContact CB-CZ2 3.48Å; A20-W292 VanDerWaalsContact CB-CZ2 3.48Å; A20-W292 HydrophobicContact CB-CZ3 3.87Å; Y23-W292 HydrophobicContact CD1-CB 3.89Å; Y23-W292 AromaticContact CD1-CD1 3.81Å; Y23-W292 HydrophobicContact CD1-CG 4.21Å; Y23-W292 HydrophobicContact CD2-CB 4.09Å; Y23-W292 HydrophobicContact CG-CB 3.67Å; Y23-W292 HydrophobicContact CG-CG 4.38Å; A285-W292 VanDerWaalsContact O-CZ2 3.29Å; A285-W292 WeakPolarHBondContact O-CZ2 3.46Å; A285-W292 PolarHBondContact O-NE1 3.42Å; W288-W292 PolarHBondContact O-N 3.37Å; W288-W292 PolarHBondContact O-NE1 3.02Å; Q289-W292 VanDerWaalsContact CA-CE2 3.41Å; Q289-W292 VanDerWaalsContact CA-NE1 3.35Å; Q289-W292 HydrophobicContact CB-CH2 4.1Å; Q289-W292 HydrophobicContact CB-CZ2 3.5Å; Q289-W292 PolarHBondContact O-N 3.43Å; W292-N294 VanDerWaalsContact C-N 3.3Å; W292-N294 PolarHBondContact O-N 3.14Å; W292-L295 HydrophobicContact CB-CD1 4.17Å; W292-L295 WeakPolarHBondContact O-CB 3.28Å; W292-L295 PolarHBondContact O-N 3.36Å |
| 293 | F | 91.6 | Very high | 90.6 | Very high | 72 Ų | 72 | 44.5 Ų | 44.5 | 32% | 0.316 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -34.6 | -171 | -176.6 | -95.8 | 0 | 0 | 0 | 114.2 | E16 V224 T225 Q289 | E16-F293 WeakPolarHBondContact OE1-CE2 3.23Å; V224-F293 HydrophobicContact CG1-CD1 3.89Å; T225-F293 HydrophobicContact CG2-CB 4.38Å; T225-F293 HydrophobicContact CG2-CD1 3.62Å; T225-F293 HydrophobicContact CG2-CD2 3.5Å; T225-F293 VanDerWaalsContact CG2-CD2 3.5Å; T225-F293 HydrophobicContact CG2-CE1 3.63Å; T225-F293 HydrophobicContact CG2-CE2 3.5Å; T225-F293 VanDerWaalsContact CG2-CE2 3.5Å; T225-F293 HydrophobicContact CG2-CG 3.56Å; T225-F293 HydrophobicContact CG2-CZ 3.57Å; Q289-F293 WeakPolarHBondContact O-CB 3.48Å; Q289-F293 PolarHBondContact O-N 3.14Å |
| 294 | N | 90.3 | Very high | 90.1 | Very high | 125 Ų | 125 | 44 Ų | 44 | 67% | 0.668 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 7.4 | 179.7 | -67.9 | -28.9 | 0 | 0 | 0 | 113.7 | W292 | W292-N294 VanDerWaalsContact C-N 3.3Å; W292-N294 PolarHBondContact O-N 3.14Å |
| 295 | L | 91.9 | Very high | 89.7 | Confident | 46 Ų | 46 | 47.5 Ų | 47.5 | 24% | 0.241 | 23% | 0.233 | C | C | . | . | trans | -84.4 | 132.3 | -179.1 | -61 | -179.4 | 0 | 0 | 0 | 110.6 | V19 Y23 W292 D299 V300 L303 | V19-L295 HydrophobicContact CG1-CB 4.01Å; Y23-L295 HydrophobicContact CD2-CD1 3.8Å; Y23-L295 HydrophobicContact CE2-CD1 4.29Å; W292-L295 HydrophobicContact CB-CD1 4.17Å; W292-L295 WeakPolarHBondContact O-CB 3.28Å; W292-L295 PolarHBondContact O-N 3.36Å; L295-D299 HydrophobicContact CB-CB 4.32Å; L295-D299 HydrophobicContact CD2-CB 4.22Å; L295-V300 HydrophobicContact CB-CG2 4.12Å; L295-V300 HydrophobicContact CD1-CG2 4.35Å; L295-L303 HydrophobicContact CD1-CD1 3.85Å | ||
| 296 | S | 88.5 | Confident | 89.2 | Confident | 53 Ų | 53 | 50.3 Ų | 50.3 | 37% | 0.371 | 25% | 0.246 | S | C | . | . | trans | -74.3 | 162.6 | 167 | 72.6 | 0 | 0 | 0 | 0 | 110.7 | E298 D299 V300 | S296-E298 PolarHBondContact O-N 3.4Å; S296-E298 PolarHBondContact OG-N 3.12Å; S296-D299 WeakPolarHBondContact CB-OD2 3.41Å; S296-D299 PolarHBondContact N-OD2 3.22Å; S296-D299 PolarHBondContact O-N 3.19Å; S296-D299 VanDerWaalsContact O-N 3.14Å; S296-D299 PolarHBondContact OG-N 2.82Å; S296-D299 VanDerWaalsContact OG-N 3.11Å; S296-D299 PolarHBondContact OG-OD2 3.15Å; S296-V300 PolarHBondContact O-N 3.49Å | ||
| 297 | I | 87 | Confident | 88.5 | Confident | 64 Ų | 64 | 50.2 Ų | 50.2 | 33% | 0.328 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.3 | -33 | 173.7 | -166.8 | 62.6 | 0 | 0 | 0 | 111.8 | L22 V300 R301 | L22-I297 HydrophobicContact CD1-CD1 3.52Å; I297-V300 PolarHBondContact O-N 2.89Å; I297-R301 WeakPolarHBondContact O-CG 3.24Å; I297-R301 PolarHBondContact O-N 3.24Å |
| 298 | E | 86.5 | Confident | 88 | Confident | 121 Ų | 121 | 51.5 Ų | 51.5 | 57% | 0.565 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -69.5 | -39.5 | 177.7 | -166.7 | 58.6 | -144.8 | 0 | 0 | 111.6 | S296 V300 R301 R302 | S296-E298 PolarHBondContact O-N 3.4Å; S296-E298 PolarHBondContact OG-N 3.12Å; E298-V300 VanDerWaalsContact C-N 3.28Å; E298-V300 PolarHBondContact O-N 3.27Å; E298-R301 PolarHBondContact O-N 3.44Å; E298-R302 PolarHBondContact O-N 3.04Å |
| 299 | D | 88.6 | Confident | 87.4 | Confident | 48 Ų | 48 | 57.7 Ų | 57.7 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 173.4 | -62.8 | -50.9 | 0 | 0 | 0 | 111 | L295 S296 R302 L303 | L295-D299 HydrophobicContact CB-CB 4.32Å; L295-D299 HydrophobicContact CD2-CB 4.22Å; S296-D299 WeakPolarHBondContact CB-OD2 3.41Å; S296-D299 PolarHBondContact N-OD2 3.22Å; S296-D299 PolarHBondContact O-N 3.19Å; S296-D299 VanDerWaalsContact O-N 3.14Å; S296-D299 PolarHBondContact OG-N 2.82Å; S296-D299 VanDerWaalsContact OG-N 3.11Å; S296-D299 PolarHBondContact OG-OD2 3.15Å; D299-R302 WeakPolarHBondContact O-CB 3.46Å; D299-R302 PolarHBondContact O-N 3.32Å; D299-R302 IonicContact OD1-CZ 3.91Å; D299-R302 IonicContact OD1-NH1 2.84Å; D299-R302 PolarHBondContact OD1-NH1 2.98Å; D299-R302 IonicContact OD1-NH2 2.7Å; D299-L303 WeakPolarHBondContact O-CG 3.37Å; D299-L303 PolarHBondContact O-N 3.36Å |
| 300 | V | 85.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 175.2 | -179.5 | 0 | 0 | 0 | 0 | 111 | V19 L22 L295 S296 I297 E298 R302 L303 E304 | V19-V300 HydrophobicContact CG1-CG2 3.73Å; L22-V300 HydrophobicContact CB-CG1 3.42Å; L22-V300 VanDerWaalsContact CB-CG1 3.42Å; L22-V300 HydrophobicContact CD1-CG1 4.14Å; L22-V300 HydrophobicContact CG-CG1 4.43Å; L295-V300 HydrophobicContact CB-CG2 4.12Å; L295-V300 HydrophobicContact CD1-CG2 4.35Å; S296-V300 PolarHBondContact O-N 3.49Å; I297-V300 PolarHBondContact O-N 2.89Å; E298-V300 VanDerWaalsContact C-N 3.28Å; E298-V300 PolarHBondContact O-N 3.27Å; V300-R302 VanDerWaalsContact C-N 3.27Å; V300-R302 PolarHBondContact O-N 3.01Å; V300-L303 CarbonylContact O-C 3.58Å; V300-L303 WeakPolarHBondContact O-CA 3.43Å; V300-L303 WeakPolarHBondContact O-CB 3.43Å; V300-L303 PolarHBondContact O-N 3.37Å; V300-E304 HydrophobicContact CG1-CG 4.4Å; V300-E304 VanDerWaalsContact O-CG 3.29Å; V300-E304 WeakPolarHBondContact O-CG 3.33Å; V300-E304 PolarHBondContact O-N 2.87Å |
| 301 | R | 86.9 | Confident | 86.3 | Confident | 57 Ų | 57 | 57.6 Ų | 57.6 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.9 | -40.6 | 173.9 | -68 | -50.6 | -172 | -178.8 | 3.6 | 112.3 | I297 E298 L303 E304 I305 | I297-R301 WeakPolarHBondContact O-CG 3.24Å; I297-R301 PolarHBondContact O-N 3.24Å; E298-R301 PolarHBondContact O-N 3.44Å; R301-L303 VanDerWaalsContact C-N 3.33Å; R301-L303 PolarHBondContact O-N 3.47Å; R301-E304 WeakPolarHBondContact CD-OE2 3.49Å; R301-E304 IonicContact CZ-OE2 2.63Å; R301-E304 IonicContact NE-OE2 3.06Å; R301-E304 IonicContact NH1-OE1 3.29Å; R301-E304 IonicContact NH1-OE2 3.4Å; R301-E304 PolarHBondContact NH1-OE2 3.41Å; R301-E304 PolarHBondContact O-N 3.31Å; R301-I305 WeakPolarHBondContact O-CG1 3.43Å; R301-I305 PolarHBondContact O-N 3.33Å; R301-I305 VanDerWaalsContact O-N 3.08Å |
| 302 | R | 85.5 | Confident | 85.7 | Confident | 106 Ų | 106 | 57 Ų | 57 | 40% | 0.4 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 173.3 | -165.6 | -174 | -63.4 | 125.9 | 3.7 | 111.4 | E298 D299 V300 I305 Q306 | E298-R302 PolarHBondContact O-N 3.04Å; D299-R302 WeakPolarHBondContact O-CB 3.46Å; D299-R302 PolarHBondContact O-N 3.32Å; D299-R302 IonicContact OD1-CZ 3.91Å; D299-R302 IonicContact OD1-NH1 2.84Å; D299-R302 PolarHBondContact OD1-NH1 2.98Å; D299-R302 IonicContact OD1-NH2 2.7Å; V300-R302 VanDerWaalsContact C-N 3.27Å; V300-R302 PolarHBondContact O-N 3.01Å; R302-I305 PolarHBondContact O-N 3.09Å; R302-Q306 WeakPolarHBondContact O-CG 3.47Å; R302-Q306 PolarHBondContact O-N 3.45Å |
| 303 | L | 83.9 | Confident | 84.9 | Confident | 57 Ų | 57 | 60.1 Ų | 60.1 | 30% | 0.298 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65 | -36.3 | 175.1 | -66.4 | 172.9 | 0 | 0 | 0 | 112.8 | Y23 L295 D299 V300 R301 Q306 A307 | Y23-L303 HydrophobicContact CD2-CD1 4.01Å; Y23-L303 HydrophobicContact CE2-CD1 4.32Å; L295-L303 HydrophobicContact CD1-CD1 3.85Å; D299-L303 WeakPolarHBondContact O-CG 3.37Å; D299-L303 PolarHBondContact O-N 3.36Å; V300-L303 CarbonylContact O-C 3.58Å; V300-L303 WeakPolarHBondContact O-CA 3.43Å; V300-L303 WeakPolarHBondContact O-CB 3.43Å; V300-L303 PolarHBondContact O-N 3.37Å; R301-L303 VanDerWaalsContact C-N 3.33Å; R301-L303 PolarHBondContact O-N 3.47Å; L303-Q306 PolarHBondContact O-N 3.33Å; L303-A307 VanDerWaalsContact O-CB 3.29Å; L303-A307 WeakPolarHBondContact O-CB 3.34Å; L303-A307 PolarHBondContact O-N 3.11Å |
| 304 | E | 84.7 | Confident | 84.3 | Confident | 8 Ų | 8 | 60.2 Ų | 60.2 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 175.6 | -54.7 | -165.9 | 124 | 0 | 0 | 111.8 | Q26 V300 R301 A307 Q308 | Q26-E304 HydrophobicContact CG-CB 4.29Å; Q26-E304 HydrophobicContact CG-CG 3.82Å; Q26-E304 VanDerWaalsContact NE2-CG 3.3Å; Q26-E304 PolarHBondContact NE2-OE1 3.18Å; Q26-E304 VanDerWaalsContact NE2-OE1 3.09Å; V300-E304 HydrophobicContact CG1-CG 4.4Å; V300-E304 VanDerWaalsContact O-CG 3.29Å; V300-E304 WeakPolarHBondContact O-CG 3.33Å; V300-E304 PolarHBondContact O-N 2.87Å; R301-E304 WeakPolarHBondContact CD-OE2 3.49Å; R301-E304 IonicContact CZ-OE2 2.63Å; R301-E304 IonicContact NE-OE2 3.06Å; R301-E304 IonicContact NH1-OE1 3.29Å; R301-E304 IonicContact NH1-OE2 3.4Å; R301-E304 PolarHBondContact NH1-OE2 3.41Å; R301-E304 PolarHBondContact O-N 3.31Å; E304-A307 PolarHBondContact O-N 3.42Å; E304-Q308 WeakPolarHBondContact O-CB 3.46Å; E304-Q308 PolarHBondContact O-N 3.34Å |
| 305 | I | 84.5 | Confident | 83.3 | Confident | 79 Ų | 79 | 55.2 Ų | 55.2 | 41% | 0.405 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 177.3 | -65.3 | 166.7 | 0 | 0 | 0 | 110.3 | R301 R302 Q308 R309 | R301-I305 WeakPolarHBondContact O-CG1 3.43Å; R301-I305 PolarHBondContact O-N 3.33Å; R301-I305 VanDerWaalsContact O-N 3.08Å; R302-I305 PolarHBondContact O-N 3.09Å; I305-Q308 PolarHBondContact O-N 2.82Å; I305-R309 WeakPolarHBondContact O-CG 3.35Å; I305-R309 PolarHBondContact O-N 2.86Å; I305-R309 VanDerWaalsContact O-N 3.11Å |
| 306 | Q | 82.1 | Confident | 82.3 | Confident | 58 Ų | 58 | 58.7 Ų | 58.7 | 27% | 0.271 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 176.4 | -73.5 | 177.3 | 0.2 | 0 | 0 | 111.8 | R302 L303 R309 I310 | R302-Q306 WeakPolarHBondContact O-CG 3.47Å; R302-Q306 PolarHBondContact O-N 3.45Å; L303-Q306 PolarHBondContact O-N 3.33Å; Q306-R309 PolarHBondContact O-N 3.45Å; Q306-I310 WeakPolarHBondContact O-CG1 3.19Å; Q306-I310 PolarHBondContact O-N 3.49Å |
| 307 | A | 80.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q26 Q30 L303 E304 R309 I310 L311 | Q26-A307 HydrophobicContact CB-CB 4.09Å; Q26-A307 HydrophobicContact CG-CB 4.45Å; Q30-A307 HydrophobicContact CG-CB 4.3Å; L303-A307 VanDerWaalsContact O-CB 3.29Å; L303-A307 WeakPolarHBondContact O-CB 3.34Å; L303-A307 PolarHBondContact O-N 3.11Å; E304-A307 PolarHBondContact O-N 3.42Å; A307-R309 VanDerWaalsContact C-N 3.33Å; A307-R309 PolarHBondContact O-N 2.86Å; A307-I310 PolarHBondContact O-N 3.37Å; A307-L311 WeakPolarHBondContact O-CB 3.23Å; A307-L311 WeakPolarHBondContact O-CG 3.45Å; A307-L311 PolarHBondContact O-N 3Å |
| 308 | Q | 83 | Confident | 79.6 | Confident | 34 Ų | 34 | 62.2 Ų | 62.2 | 16% | 0.159 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.1 | -44.7 | 176.9 | 179.1 | 170.7 | 21.2 | 0 | 0 | 112.1 | I42 E304 I305 L311 Q312 | I42-Q308 HydrophobicContact CB-CB 4.43Å; I42-Q308 HydrophobicContact CB-CG 4.02Å; I42-Q308 HydrophobicContact CD1-CB 4.27Å; I42-Q308 HydrophobicContact CG2-CG 4.2Å; I42-Q308 PolarHBondContact O-NE2 3.1Å; E304-Q308 WeakPolarHBondContact O-CB 3.46Å; E304-Q308 PolarHBondContact O-N 3.34Å; I305-Q308 PolarHBondContact O-N 2.82Å; Q308-L311 PolarHBondContact O-N 3.44Å; Q308-Q312 WeakPolarHBondContact O-CG 3.46Å; Q308-Q312 PolarHBondContact O-N 3.24Å |
| 309 | R | 82.3 | Confident | 77.8 | Confident | 144 Ų | 144 | 63.1 Ų | 63.1 | 54% | 0.543 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.5 | -48.5 | 176.5 | -71.3 | 177.5 | -175.1 | 161.2 | 3.5 | 112.1 | I305 Q306 A307 L311 Q312 E313 | I305-R309 WeakPolarHBondContact O-CG 3.35Å; I305-R309 PolarHBondContact O-N 2.86Å; I305-R309 VanDerWaalsContact O-N 3.11Å; Q306-R309 PolarHBondContact O-N 3.45Å; A307-R309 VanDerWaalsContact C-N 3.33Å; A307-R309 PolarHBondContact O-N 2.86Å; R309-L311 VanDerWaalsContact C-N 3.29Å; R309-L311 PolarHBondContact O-N 3.46Å; R309-Q312 PolarHBondContact O-N 3.31Å; R309-E313 WeakPolarHBondContact O-CG 3.45Å; R309-E313 PolarHBondContact O-N 3.46Å |
| 310 | I | 80.8 | Confident | 76 | Confident | 43 Ų | 43 | 62.4 Ų | 62.4 | 22% | 0.221 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 179.2 | -68.5 | 166.5 | 0 | 0 | 0 | 111 | Q306 A307 E313 R314 | Q306-I310 WeakPolarHBondContact O-CG1 3.19Å; Q306-I310 PolarHBondContact O-N 3.49Å; A307-I310 PolarHBondContact O-N 3.37Å; I310-E313 PolarHBondContact O-N 3.18Å; I310-R314 WeakPolarHBondContact O-CG 3.48Å; I310-R314 PolarHBondContact O-N 3.01Å |
| 311 | L | 82.2 | Confident | 74.1 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.7 | -46.1 | 179.4 | -69 | 170.6 | 0 | 0 | 0 | 111.6 | T33 I42 A307 Q308 R309 E313 R314 M315 | T33-L311 VanDerWaalsContact CB-CD2 3.41Å; T33-L311 HydrophobicContact CG2-CD2 3.69Å; T33-L311 WeakPolarHBondContact OG1-CD2 3.32Å; I42-L311 HydrophobicContact CD1-CD1 3.88Å; I42-L311 HydrophobicContact CG1-CD1 4.19Å; A307-L311 WeakPolarHBondContact O-CB 3.23Å; A307-L311 WeakPolarHBondContact O-CG 3.45Å; A307-L311 PolarHBondContact O-N 3Å; Q308-L311 PolarHBondContact O-N 3.44Å; R309-L311 VanDerWaalsContact C-N 3.29Å; R309-L311 PolarHBondContact O-N 3.46Å; L311-E313 VanDerWaalsContact C-N 3.29Å; L311-E313 PolarHBondContact O-N 3.02Å; L311-R314 PolarHBondContact O-N 2.94Å; L311-M315 WeakPolarHBondContact O-CB 3.43Å; L311-M315 VanDerWaalsContact O-CG 3.27Å; L311-M315 WeakPolarHBondContact O-CG 3.38Å; L311-M315 PolarHBondContact O-N 3.49Å |
| 312 | Q | 80.4 | Confident | 71.9 | Confident | 80 Ų | 80 | 74.1 Ų | 74.1 | 37% | 0.374 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.3 | -39.1 | 175.7 | -76.7 | 178.5 | -5.7 | 0 | 0 | 112.3 | Q308 R309 N316 | Q308-Q312 WeakPolarHBondContact O-CG 3.46Å; Q308-Q312 PolarHBondContact O-N 3.24Å; R309-Q312 PolarHBondContact O-N 3.31Å; Q312-N316 WeakPolarHBondContact O-CB 3.06Å; Q312-N316 VanDerWaalsContact O-CG 3.28Å; Q312-N316 PolarHBondContact O-N 2.74Å; Q312-N316 PolarHBondContact O-ND2 2.58Å; Q312-N316 VanDerWaalsContact O-ND2 3.14Å |
| 313 | E | 76.9 | Confident | 69.8 | Low | 68 Ų | 68 | 72.2 Ų | 72.2 | 32% | 0.318 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.2 | -39.5 | 177.5 | -72.2 | -175.9 | 178.8 | 0 | 0 | 113.1 | R309 I310 L311 N316 G317 K318 V323 | R309-E313 WeakPolarHBondContact O-CG 3.45Å; R309-E313 PolarHBondContact O-N 3.46Å; I310-E313 PolarHBondContact O-N 3.18Å; L311-E313 VanDerWaalsContact C-N 3.29Å; L311-E313 PolarHBondContact O-N 3.02Å; E313-N316 PolarHBondContact O-N 3.36Å; E313-G317 PolarHBondContact O-N 3.17Å; E313-K318 PolarHBondContact O-N 3.47Å; E313-K318 VanDerWaalsContact O-N 3.1Å; E313-V323 WeakPolarHBondContact OE2-CG2 3.46Å |
| 314 | R | 77.8 | Confident | 67.5 | Low | 74 Ų | 74 | 74.5 Ų | 74.5 | 28% | 0.279 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 173.6 | -76 | -173.2 | -172.3 | 172.2 | 9.1 | 111.9 | Q30 T33 I310 L311 N316 G317 A320 | Q30-R314 PolarHBondContact O-NH1 2.98Å; T33-R314 HydrophobicContact CG2-CB 4.08Å; T33-R314 PolarHBondContact O-NH1 3.46Å; I310-R314 WeakPolarHBondContact O-CG 3.48Å; I310-R314 PolarHBondContact O-N 3.01Å; L311-R314 PolarHBondContact O-N 2.94Å; R314-N316 VanDerWaalsContact C-N 3.26Å; R314-N316 PolarHBondContact O-N 3.43Å; R314-G317 PolarHBondContact O-N 2.8Å; R314-G317 VanDerWaalsContact O-N 3.13Å; R314-A320 HydrophobicContact CG-CB 4.38Å |
| 315 | M | 69.6 | Low | 65 | Low | 19 Ų | 19 | 78.7 Ų | 78.7 | 9% | 0.094 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64 | -31.1 | 175 | -68.9 | -62.8 | -63.9 | 0 | 0 | 111.8 | T33 V36 H64 L311 G317 | T33-M315 HydrophobicContact CG2-SD 4.48Å; V36-M315 WeakPolarHBondContact CA-O 3.44Å; V36-M315 WeakPolarHBondContact CG1-O 3.33Å; V36-M315 WeakPolarHBondContact O-CE 3.35Å; H64-M315 WeakPolarHBondContact CD2-CE 3.49Å; H64-M315 VanDerWaalsContact NE2-CE 3.31Å; H64-M315 WeakPolarHBondContact NE2-CE 3.49Å; L311-M315 WeakPolarHBondContact O-CB 3.43Å; L311-M315 VanDerWaalsContact O-CG 3.27Å; L311-M315 WeakPolarHBondContact O-CG 3.38Å; L311-M315 PolarHBondContact O-N 3.49Å; M315-G317 VanDerWaalsContact C-N 3.28Å; M315-G317 PolarHBondContact O-N 3.39Å |
| 316 | N | 72 | Confident | 62.3 | Low | 120 Ų | 120 | 85.8 Ų | 85.8 | 64% | 0.642 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 4.7 | 174.9 | -73.1 | -31.5 | 0 | 0 | 0 | 114.5 | Q312 E313 R314 K318 | Q312-N316 WeakPolarHBondContact O-CB 3.06Å; Q312-N316 VanDerWaalsContact O-CG 3.28Å; Q312-N316 PolarHBondContact O-N 2.74Å; Q312-N316 PolarHBondContact O-ND2 2.58Å; Q312-N316 VanDerWaalsContact O-ND2 3.14Å; E313-N316 PolarHBondContact O-N 3.36Å; R314-N316 VanDerWaalsContact C-N 3.26Å; R314-N316 PolarHBondContact O-N 3.43Å; N316-K318 VanDerWaalsContact C-N 3.32Å; N316-K318 PolarHBondContact O-N 3.43Å |
| 317 | G | 62.9 | Low | 59.8 | Low | 52 Ų | 52 | 88.2 Ų | 88.2 | 54% | 0.536 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 14.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | E313 R314 M315 | E313-G317 PolarHBondContact O-N 3.17Å; R314-G317 PolarHBondContact O-N 2.8Å; R314-G317 VanDerWaalsContact O-N 3.13Å; M315-G317 VanDerWaalsContact C-N 3.28Å; M315-G317 PolarHBondContact O-N 3.39Å |
| 318 | K | 54.5 | Low | 57.2 | Low | 138 Ų | 138 | 94.2 Ų | 94.2 | 60% | 0.6 | 49% | 0.49 | S | S | * | . | trans | -86.7 | 136.1 | 176.6 | -67 | -179.3 | 179.7 | 175.9 | 0 | 110.5 | E313 N316 A320 | E313-K318 PolarHBondContact O-N 3.47Å; E313-K318 VanDerWaalsContact O-N 3.1Å; N316-K318 VanDerWaalsContact C-N 3.32Å; N316-K318 PolarHBondContact O-N 3.43Å; K318-A320 PolarHBondContact O-N 3.46Å | ||
| 319 | N | 49.2 | Very low | 54.6 | Low | 141 Ų | 141 | 99.6 Ų | 99.6 | 75% | 0.754 | 52% | 0.519 | S | S | * | . | trans | -64.6 | 115.5 | 177.6 | -103.4 | -14 | 0 | 0 | 0 | 111.1 | N321 N322 | N319-N321 PolarHBondContact O-N 3.43Å; N319-N322 PolarHBondContact O-N 3.01Å | ||
| 320 | A | 50.7 | Low | 52 | Low | 33 Ų | 33 | 97.7 Ų | 97.7 | 27% | 0.273 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -61.7 | -14.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R314 K318 N322 V323 | R314-A320 HydrophobicContact CG-CB 4.38Å; K318-A320 PolarHBondContact O-N 3.46Å; A320-N322 PolarHBondContact O-N 3.48Å; A320-V323 PolarHBondContact O-N 3.16Å |
| 321 | N | 46.2 | Very low | 49.4 | Very low | 154 Ų | 154 | 98.9 Ų | 98.9 | 82% | 0.824 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -70.8 | -12.3 | -177.2 | -68.1 | -4 | 0 | 0 | 0 | 114.2 | N319 | N319-N321 PolarHBondContact O-N 3.43Š|
| 322 | N | 40.4 | Very low | 46.7 | Very low | 149 Ų | 149 | 105 Ų | 105 | 80% | 0.797 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -91.1 | 0.3 | 178.6 | -84.9 | -3 | 0 | 0 | 0 | 114.4 | N319 A320 T324 | N319-N322 PolarHBondContact O-N 3.01Å; A320-N322 PolarHBondContact O-N 3.48Å; N322-T324 PolarHBondContact O-N 3.35Å; N322-T324 VanDerWaalsContact O-N 3.09Å |
| 323 | V | 41.4 | Very low | 44 | Very low | 65 Ų | 65 | 107.5 Ų | 107.5 | 39% | 0.394 | 62% | 0.615 | S | S | . | * | trans | -83.3 | 89.1 | 177.9 | -169.8 | 0 | 0 | 0 | 0 | 109.7 | E313 A320 | E313-V323 WeakPolarHBondContact OE2-CG2 3.46Å; A320-V323 PolarHBondContact O-N 3.16Å | ||
| 324 | T | 34 | Very low | 41.5 | Very low | 106 Ų | 106 | 111.5 Ų | 111.5 | 65% | 0.65 | 64% | 0.638 | S | S | * | * | trans | -82.3 | 123.6 | 154.1 | 37.6 | 0 | 0 | 0 | 0 | 107.3 | N322 R326 | N322-T324 PolarHBondContact O-N 3.35Å; N322-T324 VanDerWaalsContact O-N 3.09Å; T324-R326 PolarHBondContact O-N 2.68Å | ||
| 325 | C | 33.9 | Very low | 38.9 | Very low | 96 Ų | 96 | 115.3 Ų | 115.3 | 65% | 0.649 | 66% | 0.664 | S | S | * | * | trans | -60.6 | 86 | 170.9 | -63.3 | 0 | 0 | 0 | 0 | 109.4 | E327 | C325-E327 PolarHBondContact O-N 2.89Š| ||
| 326 | R | 26.8 | Very low | 36.7 | Very low | 228 Ų | 228 | 122.4 Ų | 122.4 | 86% | 0.86 | 70% | 0.697 | S | S | * | * | trans | -87.2 | 85.7 | 160.6 | -78.1 | -176.2 | 173 | 166 | -1.4 | 106.9 | T324 | T324-R326 PolarHBondContact O-N 2.68Š| ||
| 327 | E | 30 | Very low | 34.3 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 51% | 0.509 | 71% | 0.706 | S | S | . | * | trans | -72.9 | 138.9 | 160.4 | -108.4 | 173.5 | -179.2 | 0 | 0 | 108.7 | C325 L329 | C325-E327 PolarHBondContact O-N 2.89Å; E327-L329 PolarHBondContact O-N 3.43Å | ||
| 328 | P | 27.1 | Very low | 32.4 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | trans | -72.9 | 98.9 | 170.6 | 11.4 | 0.8 | 0 | 0 | 0 | 108.6 | A330 | P328-A330 VanDerWaalsContact C-N 3.32Å; P328-A330 PolarHBondContact O-N 3.29Å | ||
| 329 | L | 27.8 | Very low | 31.1 | Very low | 147 Ų | 147 | 125.9 Ų | 125.9 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | trans | -68 | 91.1 | 167.5 | -100.9 | 99.3 | 0 | 0 | 0 | 109.3 | E327 G331 | E327-L329 PolarHBondContact O-N 3.43Å; L329-G331 PolarHBondContact O-N 3.34Å | ||
| 330 | A | 28 | Very low | 29.9 | Very low | 104 Ų | 104 | 123.8 Ų | 123.8 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | -79 | 96.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | P328 | P328-A330 VanDerWaalsContact C-N 3.32Å; P328-A330 PolarHBondContact O-N 3.29Å | ||
| 331 | G | 24.9 | Very low | 28.8 | Very low | 69 Ų | 69 | 133.3 Ų | 133.3 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 76.9 | 77.3 | 152.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | L329 | L329-G331 PolarHBondContact O-N 3.34Š|
| 332 | V | 26.8 | Very low | 27.9 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -146 | 127.4 | 137.7 | -177 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 333 | T | 22.2 | Very low | 27.3 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | trans | -66.9 | 143.1 | 179.9 | 23.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 334 | L | 24.9 | Very low | 26.7 | Very low | 151 Ų | 151 | 132.9 Ų | 132.9 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | 9.8 | 122 | 161.8 | -113.1 | 90.8 | 0 | 0 | 0 | 118.7 | ||||
| 335 | D | 23.4 | Very low | 26.4 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | -158.1 | 148.1 | 108.5 | -128.6 | -15.8 | 0 | 0 | 0 | 113.4 | |||||
| 336 | Q | 23.3 | Very low | 26.1 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | -82.4 | 126.7 | -173.3 | -64.4 | 171.8 | -5.4 | 0 | 0 | 111.5 | ||||
| 337 | T | 22.8 | Very low | 26.1 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -162.4 | 117.2 | 145.5 | 17.9 | 0 | 0 | 0 | 0 | 110.1 | V339 | T337-V339 PolarHBondContact O-N 3Š| ||
| 338 | A | 22 | Very low | 25.7 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -74.4 | 118.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 339 | V | 27.8 | Very low | 25.5 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | trans | -105.9 | 122.5 | 169.6 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | T337 | T337-V339 PolarHBondContact O-N 3Š| ||
| 340 | A | 24.1 | Very low | 25.3 | Very low | 97 Ų | 97 | 143.9 Ų | 143.9 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 144.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 341 | R | 26.5 | Very low | 25.1 | Very low | 234 Ų | 234 | 148.9 Ų | 148.9 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 146.5 | 175.4 | -70 | 179.3 | -179.6 | 173.6 | -0.7 | 112.3 | ||
| 342 | S | 27.1 | Very low | 25 | Very low | 93 Ų | 93 | 149.5 Ų | 149.5 | 65% | 0.65 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 152.8 | -177 | 65.4 | 0 | 0 | 0 | 0 | 113.5 | I344 | S342-I344 PolarHBondContact O-N 2.83Š|
| 343 | P | 28.8 | Very low | 24.6 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 75% | 0.747 | 83% | 0.826 | S | S | * | * | G | 310 helix | trans | -82.9 | 7.3 | -162.5 | -15.5 | 33.6 | 0 | 0 | 0 | 117.3 | E345 | P343-E345 PolarHBondContact O-N 3.11Š|
| 344 | I | 27.9 | Very low | 24.6 | Very low | 150 Ų | 150 | 152.7 Ų | 152.7 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | G | 310 helix | trans | -79.7 | -15.9 | -168.7 | -66.3 | 173.1 | 0 | 0 | 0 | 113 | S342 R346 | S342-I344 PolarHBondContact O-N 2.83Å; I344-R346 VanDerWaalsContact C-N 3.27Å; I344-R346 PolarHBondContact O-N 3.06Å |
| 345 | E | 29.1 | Very low | 24.6 | Very low | 180 Ų | 180 | 151 Ų | 151 | 84% | 0.841 | 83% | 0.826 | S | S | * | * | G | 310 helix | trans | -76.6 | 0.1 | 179.7 | -73.4 | -176.5 | 157.5 | 0 | 0 | 115.2 | P343 | P343-E345 PolarHBondContact O-N 3.11Š|
| 346 | R | 27.9 | Very low | 24.5 | Very low | 238 Ų | 238 | 148.3 Ų | 148.3 | 90% | 0.898 | 83% | 0.825 | S | S | * | * | G | 310 helix | trans | -94.8 | -0.2 | -176.8 | -81 | -165.8 | -158.1 | 160.9 | 7.6 | 117.4 | I344 | I344-R346 VanDerWaalsContact C-N 3.27Å; I344-R346 PolarHBondContact O-N 3.06Å |
| 347 | L | 25.4 | Very low | 24.4 | Very low | 158 Ų | 158 | 149 Ų | 149 | 83% | 0.827 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -114 | 6.4 | -171 | -80.2 | 165.5 | 0 | 0 | 0 | 117.2 | F349 | L347-F349 PolarHBondContact O-N 3.44Š|
| 348 | N | 22.6 | Very low | 24.2 | Very low | 148 Ų | 148 | 149.8 Ų | 149.8 | 79% | 0.791 | 83% | 0.831 | S | S | * | * | trans | -103.4 | 65.8 | 177.6 | -73.5 | -15 | 0 | 0 | 0 | 112.7 | ||||
| 349 | F | 22.5 | Very low | 24.1 | Very low | 204 Ų | 204 | 151.1 Ų | 151.1 | 90% | 0.895 | 82% | 0.822 | S | S | * | * | trans | -153.2 | 102.4 | 159.4 | -94.4 | -79.8 | 0 | 0 | 0 | 109.4 | L347 | L347-F349 PolarHBondContact O-N 3.44Š| ||
| 350 | S | 24 | Very low | 23.8 | Very low | 114 Ų | 114 | 151.7 Ų | 151.7 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | 163 | 147 | 141.4 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 351 | K | 23.5 | Very low | 23.7 | Very low | 209 Ų | 209 | 155.8 Ų | 155.8 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | trans | 91.6 | 107.3 | -179.3 | -56.3 | -176.2 | 179 | -174.7 | 0 | 113.2 | ||||
| 352 | G | 22.5 | Very low | 23.5 | Very low | 82 Ų | 82 | 153 Ų | 153 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | cis | 116.3 | 103.9 | 23.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 353 | T | 18.9 | Very low | 23.2 | Very low | 146 Ų | 146 | 155.7 Ų | 155.7 | 90% | 0.896 | 83% | 0.827 | S | S | * | * | trans | -92.6 | 132.8 | -174.4 | -58.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 354 | E | 22.4 | Very low | 22.9 | Very low | 183 Ų | 183 | 159.7 Ų | 159.7 | 86% | 0.855 | 84% | 0.836 | S | S | * | * | trans | -158.3 | 162.1 | 168.3 | -112.2 | -163.3 | 166.5 | 0 | 0 | 111 | ||||
| 355 | P | 25 | Very low | 22.7 | Very low | 116 Ų | 116 | 162 Ų | 162 | 75% | 0.753 | 84% | 0.843 | S | S | * | * | -122.6 | 177.2 | -117.5 | 29.4 | -8 | 0 | 0 | 0 | 115.8 | |||||
| 356 | A | 20.4 | Very low | 22.3 | Very low | 98 Ų | 98 | 162.5 Ų | 162.5 | 81% | 0.81 | 85% | 0.846 | S | S | * | * | trans | -62.6 | 143.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 357 | L | 20.4 | Very low | 22.2 | Very low | 180 Ų | 180 | 160.3 Ų | 160.3 | 94% | 0.942 | 85% | 0.846 | S | S | * | * | trans | -126.7 | 150.6 | 166.4 | -83.9 | 174.7 | 0 | 0 | 0 | 111.7 | ||||
| 358 | L | 18.8 | Very low | 22.2 | Very low | 154 Ų | 154 | 162.4 Ų | 162.4 | 81% | 0.806 | 85% | 0.852 | S | S | * | * | trans | -98.8 | 161.6 | -160.8 | -89.4 | 172 | 0 | 0 | 0 | 113 | ||||
| 359 | L | 20.2 | Very low | 22.4 | Very low | 135 Ų | 135 | 160 Ų | 160 | 71% | 0.707 | 84% | 0.839 | S | S | * | * | trans | 68.7 | 128.4 | 151.6 | -64.4 | 166.9 | 0 | 0 | 0 | 119.8 | ||||
| 360 | D | 21.5 | Very low | 22.5 | Very low | 152 Ų | 152 | 158.2 Ų | 158.2 | 81% | 0.813 | 84% | 0.839 | S | S | * | * | 179.6 | 148.7 | 90 | -87.1 | -42.1 | 0 | 0 | 0 | 111.5 | |||||
| 361 | E | 21.3 | Very low | 22.5 | Very low | 183 Ų | 183 | 156.7 Ų | 156.7 | 86% | 0.855 | 83% | 0.832 | S | S | * | * | trans | -99.9 | 133.3 | -177.9 | -61.9 | 172.6 | 158.7 | 0 | 0 | 109.8 | ||||
| 362 | E | 22.9 | Very low | 22.5 | Very low | 176 Ų | 176 | 153.5 Ų | 153.5 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | trans | -146.8 | 125.7 | 166.1 | -73.2 | -173.2 | 167.7 | 0 | 0 | 112.5 | ||||
| 363 | D | 21.2 | Very low | 22.5 | Very low | 149 Ų | 149 | 160.1 Ų | 160.1 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | trans | 76.4 | 106.8 | 140.8 | -53.4 | -22.6 | 0 | 0 | 0 | 122.8 | ||||
| 364 | E | 22.6 | Very low | 22.7 | Very low | 199 Ų | 199 | 160.8 Ų | 160.8 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 130.6 | 161.5 | -67.9 | -174.2 | 159.6 | 0 | 0 | 109.8 | ||
| 365 | E | 22.8 | Very low | 22.7 | Very low | 197 Ų | 197 | 159 Ų | 159 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 146.7 | 176.4 | -76.1 | -179 | 166.9 | 0 | 0 | 112.5 | ||
| 366 | E | 21.7 | Very low | 22.5 | Very low | 192 Ų | 192 | 157.7 Ų | 157.7 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 142.2 | -172.6 | -57.3 | 173.6 | 156.4 | 0 | 0 | 114 | ||
| 367 | E | 26.2 | Very low | 22.6 | Very low | 192 Ų | 192 | 159 Ų | 159 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | trans | -136.1 | 133.2 | 160.7 | -87.7 | -171.4 | 172.2 | 0 | 0 | 111.1 | ||||
| 368 | E | 25.5 | Very low | 22.6 | Very low | 202 Ų | 202 | 158.1 Ų | 158.1 | 94% | 0.944 | 80% | 0.801 | S | S | * | * | trans | -70.5 | 140.8 | -164 | -66.2 | 172.9 | 145.5 | 0 | 0 | 115.6 | ||||
| 369 | D | 26.4 | Very low | 22.8 | Very low | 97 Ų | 97 | 158.5 Ų | 158.5 | 52% | 0.519 | 80% | 0.797 | S | S | . | * | trans | -92.8 | 134.3 | -177.2 | -81.2 | -40.6 | 0 | 0 | 0 | 113.2 | R1162 | D369-R1162 IonicContact OD1-CZ 3.86Å; D369-R1162 VanDerWaalsContact OD1-CZ 3.28Å; D369-R1162 IonicContact OD1-NH1 2.76Å; D369-R1162 PolarHBondContact OD1-NH1 2.69Å; D369-R1162 IonicContact OD1-NH2 3.94Å; D369-R1162 PolarHBondContact OD1-NH2 2.89Å | ||
| 370 | N | 23.9 | Very low | 22.9 | Very low | 167 Ų | 167 | 157.3 Ų | 157.3 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -109.1 | 117.9 | 159.3 | -87.1 | -45.2 | 0 | 0 | 0 | 109.7 | ||||
| 371 | A | 24.1 | Very low | 23.3 | Very low | 81 Ų | 81 | 154 Ų | 154 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | -81.8 | 133 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 372 | V | 24 | Very low | 23.5 | Very low | 143 Ų | 143 | 149.7 Ų | 149.7 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | -134.4 | 128.3 | 157 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 373 | Y | 23.2 | Very low | 23.7 | Very low | 221 Ų | 221 | 147.4 Ų | 147.4 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | -63.3 | 137.2 | -178.8 | -137.7 | -105.2 | 0 | 0 | 0 | 111 | D375 | Y373-D375 PolarHBondContact O-N 2.83Š| ||
| 374 | F | 22.9 | Very low | 24.1 | Very low | 159 Ų | 159 | 148 Ų | 148 | 70% | 0.697 | 76% | 0.762 | S | S | * | * | trans | -88.1 | 101.7 | -179 | -139.6 | -90.1 | 0 | 0 | 0 | 108.4 | L377 T1165 | F374-L377 HydrophobicContact CE1-CD1 4.5Å; F374-T1165 HydrophobicContact CE2-CG2 4.47Å | ||
| 375 | D | 20.9 | Very low | 24.5 | Very low | 145 Ų | 145 | 141 Ų | 141 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | trans | -76.2 | 134.4 | 165 | -102.3 | -21.3 | 0 | 0 | 0 | 109 | Y373 L377 | Y373-D375 PolarHBondContact O-N 2.83Å; D375-L377 PolarHBondContact O-N 2.81Å; D375-L377 VanDerWaalsContact O-N 3.15Å | ||
| 376 | A | 21.8 | Very low | 24.7 | Very low | 89 Ų | 89 | 133.5 Ų | 133.5 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | trans | -54.4 | 116.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | E378 | A376-E378 PolarHBondContact O-N 3.09Š| ||
| 377 | L | 22 | Very low | 25 | Very low | 127 Ų | 127 | 129 Ų | 129 | 67% | 0.665 | 69% | 0.693 | S | S | * | * | trans | -65.7 | 101.3 | 174.6 | -74.9 | 161.2 | 0 | 0 | 0 | 109 | F374 D375 F379 | F374-L377 HydrophobicContact CE1-CD1 4.5Å; D375-L377 PolarHBondContact O-N 2.81Å; D375-L377 VanDerWaalsContact O-N 3.15Å; L377-F379 PolarHBondContact O-N 2.87Å | ||
| 378 | E | 20.7 | Very low | 25.1 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 75% | 0.748 | 68% | 0.682 | S | S | * | * | trans | -64.8 | 100.2 | 166.2 | -73.7 | -178.4 | 162.8 | 0 | 0 | 109.5 | A376 S380 | A376-E378 PolarHBondContact O-N 3.09Å; E378-S380 VanDerWaalsContact C-N 3.25Å; E378-S380 PolarHBondContact O-N 3.42Å | ||
| 379 | F | 23.6 | Very low | 25.7 | Very low | 163 Ų | 163 | 122.1 Ų | 122.1 | 72% | 0.715 | 66% | 0.656 | S | S | * | * | trans | -72 | 80.1 | 168.1 | -87.4 | -85.3 | 0 | 0 | 0 | 110.1 | L377 S381 | L377-F379 PolarHBondContact O-N 2.87Å; F379-S381 PolarHBondContact O-N 2.84Å | ||
| 380 | S | 22.6 | Very low | 25.9 | Very low | 110 Ų | 110 | 123.2 Ų | 123.2 | 77% | 0.769 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 70.3 | 168.7 | 52.4 | 0 | 0 | 0 | 0 | 111 | E378 | E378-S380 VanDerWaalsContact C-N 3.25Å; E378-S380 PolarHBondContact O-N 3.42Å |
| 381 | S | 29.1 | Very low | 26.4 | Very low | 82 Ų | 82 | 122.5 Ų | 122.5 | 57% | 0.573 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.7 | 14.2 | 164.8 | 74.8 | 0 | 0 | 0 | 0 | 116.7 | F379 D383 | F379-S381 PolarHBondContact O-N 2.84Å; S381-D383 PolarHBondContact O-N 2.91Å |
| 382 | L | 25.6 | Very low | 26.8 | Very low | 92 Ų | 92 | 122.8 Ų | 122.8 | 48% | 0.482 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -71.9 | -9.4 | 171.2 | -84.8 | 164.5 | 0 | 0 | 0 | 113.6 | E384 S385 G386 Q435 | L382-E384 PolarHBondContact O-N 3.03Å; L382-S385 WeakPolarHBondContact CD2-OG 3.29Å; L382-S385 PolarHBondContact O-N 3.06Å; L382-S385 PolarHBondContact O-OG 2.71Å; L382-G386 PolarHBondContact O-N 3.5Å; L382-Q435 HydrophobicContact CD1-CG 3.94Å |
| 383 | D | 28.1 | Very low | 27.3 | Very low | 128 Ų | 128 | 118.3 Ų | 118.3 | 68% | 0.684 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -59.8 | -29.9 | 174.3 | -89.5 | -9.5 | 0 | 0 | 0 | 112.9 | S381 N387 | S381-D383 PolarHBondContact O-N 2.91Å; D383-N387 VanDerWaalsContact O-CB 3.3Å; D383-N387 WeakPolarHBondContact O-CB 3.24Å; D383-N387 VanDerWaalsContact O-CG 3.32Å; D383-N387 PolarHBondContact O-N 3.17Å; D383-N387 PolarHBondContact O-ND2 2.91Å |
| 384 | E | 29.3 | Very low | 27.8 | Very low | 162 Ų | 162 | 111.1 Ų | 111.1 | 76% | 0.757 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -85 | -36.1 | -179.6 | -80.5 | -159.1 | 153.5 | 0 | 0 | 113.8 | L382 R388 | L382-E384 PolarHBondContact O-N 3.03Å; E384-R388 WeakPolarHBondContact O-CB 2.92Å; E384-R388 PolarHBondContact O-N 2.75Å |
| 385 | S | 30.1 | Very low | 28.3 | Very low | 52 Ų | 52 | 110.7 Ų | 110.7 | 36% | 0.364 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -74.4 | -37.1 | 176.2 | 44.1 | 0 | 0 | 0 | 0 | 111.9 | L382 R388 L389 | L382-S385 WeakPolarHBondContact CD2-OG 3.29Å; L382-S385 PolarHBondContact O-N 3.06Å; L382-S385 PolarHBondContact O-OG 2.71Å; S385-R388 PolarHBondContact O-N 3.14Å; S385-L389 WeakPolarHBondContact O-CB 3.22Å; S385-L389 WeakPolarHBondContact O-CD1 3.36Å; S385-L389 PolarHBondContact O-N 2.95Å |
| 386 | G | 26.2 | Very low | 28.9 | Very low | 40 Ų | 40 | 110 Ų | 110 | 41% | 0.412 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60 | -50.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L382 R388 L389 E390 | L382-G386 PolarHBondContact O-N 3.5Å; G386-R388 PolarHBondContact O-N 3.46Å; G386-L389 PolarHBondContact O-N 3.04Å; G386-E390 PolarHBondContact O-N 2.98Å |
| 387 | N | 28.3 | Very low | 29.3 | Very low | 98 Ų | 98 | 112.1 Ų | 112.1 | 52% | 0.524 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70 | -28.7 | 179.8 | -78.7 | -42.6 | 0 | 0 | 0 | 114.1 | D383 K391 | D383-N387 VanDerWaalsContact O-CB 3.3Å; D383-N387 WeakPolarHBondContact O-CB 3.24Å; D383-N387 VanDerWaalsContact O-CG 3.32Å; D383-N387 PolarHBondContact O-N 3.17Å; D383-N387 PolarHBondContact O-ND2 2.91Å; N387-K391 PolarHBondContact O-N 3.03Å |
| 388 | R | 29.2 | Very low | 29.7 | Very low | 174 Ų | 174 | 115.6 Ų | 115.6 | 66% | 0.657 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -77.8 | -34.5 | 175.3 | -103.8 | -177.9 | 151.1 | 173.1 | 0.3 | 113.1 | E384 S385 G386 K391 L392 | E384-R388 WeakPolarHBondContact O-CB 2.92Å; E384-R388 PolarHBondContact O-N 2.75Å; S385-R388 PolarHBondContact O-N 3.14Å; G386-R388 PolarHBondContact O-N 3.46Å; R388-K391 WeakPolarHBondContact O-CB 3.09Å; R388-K391 PolarHBondContact O-N 2.89Å; R388-L392 PolarHBondContact O-N 2.98Å |
| 389 | L | 37.9 | Very low | 30.3 | Very low | 75 Ų | 75 | 114.5 Ų | 114.5 | 39% | 0.393 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -81.2 | -27.3 | 177.3 | -93 | 96 | 0 | 0 | 0 | 112.6 | S385 G386 K391 L392 A393 W442 | S385-L389 WeakPolarHBondContact O-CB 3.22Å; S385-L389 WeakPolarHBondContact O-CD1 3.36Å; S385-L389 PolarHBondContact O-N 2.95Å; G386-L389 PolarHBondContact O-N 3.04Å; L389-K391 PolarHBondContact O-N 3.43Å; L389-L392 HydrophobicContact CG-CD1 4.34Å; L389-L392 CarbonylContact O-C 3.5Å; L389-L392 WeakPolarHBondContact O-CA 3.29Å; L389-L392 PolarHBondContact O-N 3.37Å; L389-A393 PolarHBondContact O-N 3.17Å; L389-W442 HydrophobicContact CD2-CZ2 4.18Å |
| 390 | E | 31.4 | Very low | 30.6 | Very low | 120 Ų | 120 | 111.3 Ų | 111.3 | 56% | 0.561 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.6 | -37.2 | 167.2 | -144.2 | 177.9 | -146.7 | 0 | 0 | 110.2 | G386 L392 A393 D394 | G386-E390 PolarHBondContact O-N 2.98Å; E390-L392 VanDerWaalsContact C-N 3.26Å; E390-L392 PolarHBondContact O-N 3.43Å; E390-A393 PolarHBondContact O-N 3.48Å; E390-D394 WeakPolarHBondContact O-CA 3.16Å; E390-D394 WeakPolarHBondContact O-CB 3.36Å; E390-D394 VanDerWaalsContact O-CG 3.25Å; E390-D394 PolarHBondContact O-N 3.07Å |
| 391 | K | 32.5 | Very low | 31 | Very low | 152 Ų | 152 | 112 Ų | 112 | 66% | 0.661 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.6 | -24.7 | 169.4 | -75.5 | 179 | -179.2 | 174.9 | 0 | 114.2 | N387 R388 L389 R395 | N387-K391 PolarHBondContact O-N 3.03Å; R388-K391 WeakPolarHBondContact O-CB 3.09Å; R388-K391 PolarHBondContact O-N 2.89Å; L389-K391 PolarHBondContact O-N 3.43Å; K391-R395 WeakPolarHBondContact O-CB 3.41Å; K391-R395 PolarHBondContact O-N 2.75Å |
| 392 | L | 33.7 | Very low | 31 | Very low | 86 Ų | 86 | 111.7 Ų | 111.7 | 45% | 0.45 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -84.7 | -39.3 | 175.1 | -75.3 | 168.4 | 0 | 0 | 0 | 111.4 | R388 L389 E390 R395 E396 | R388-L392 PolarHBondContact O-N 2.98Å; L389-L392 HydrophobicContact CG-CD1 4.34Å; L389-L392 CarbonylContact O-C 3.5Å; L389-L392 WeakPolarHBondContact O-CA 3.29Å; L389-L392 PolarHBondContact O-N 3.37Å; E390-L392 VanDerWaalsContact C-N 3.26Å; E390-L392 PolarHBondContact O-N 3.43Å; L392-R395 CarbonylContact O-C 3.47Å; L392-R395 PolarHBondContact O-N 3.29Å; L392-R395 VanDerWaalsContact O-N 3.14Å; L392-E396 WeakPolarHBondContact O-CB 3.35Å; L392-E396 PolarHBondContact O-N 2.75Å |
| 393 | A | 34.5 | Very low | 31.3 | Very low | 50 Ų | 50 | 113.2 Ų | 113.2 | 41% | 0.413 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.6 | -41.2 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | L389 E390 R395 E396 Q397 | L389-A393 PolarHBondContact O-N 3.17Å; E390-A393 PolarHBondContact O-N 3.48Å; A393-R395 VanDerWaalsContact C-N 3.29Å; A393-R395 PolarHBondContact O-N 2.67Å; A393-E396 PolarHBondContact O-N 2.82Å; A393-Q397 VanDerWaalsContact O-CB 3.28Å; A393-Q397 WeakPolarHBondContact O-CB 3.39Å; A393-Q397 WeakPolarHBondContact O-CG 3.4Å; A393-Q397 PolarHBondContact O-N 3.44Å |
| 394 | D | 34.3 | Very low | 31.7 | Very low | 69 Ų | 69 | 116.3 Ų | 116.3 | 37% | 0.369 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.7 | -32.7 | 170.9 | -80.3 | -13.3 | 0 | 0 | 0 | 111.4 | E390 R398 | E390-D394 WeakPolarHBondContact O-CA 3.16Å; E390-D394 WeakPolarHBondContact O-CB 3.36Å; E390-D394 VanDerWaalsContact O-CG 3.25Å; E390-D394 PolarHBondContact O-N 3.07Å; D394-R398 VanDerWaalsContact O-CB 3.3Å; D394-R398 WeakPolarHBondContact O-CB 3.43Å; D394-R398 WeakPolarHBondContact O-CG 3.48Å; D394-R398 PolarHBondContact O-N 2.9Å |
| 395 | R | 31.8 | Very low | 32.6 | Very low | 150 Ų | 150 | 115 Ų | 115 | 57% | 0.566 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -77.1 | -38.4 | 178.1 | -172.8 | 175.7 | 178.1 | -176.5 | 0.2 | 111.8 | K391 L392 A393 Q397 R398 E399 | K391-R395 WeakPolarHBondContact O-CB 3.41Å; K391-R395 PolarHBondContact O-N 2.75Å; L392-R395 CarbonylContact O-C 3.47Å; L392-R395 PolarHBondContact O-N 3.29Å; L392-R395 VanDerWaalsContact O-N 3.14Å; A393-R395 VanDerWaalsContact C-N 3.29Å; A393-R395 PolarHBondContact O-N 2.67Å; R395-Q397 VanDerWaalsContact C-N 3.33Å; R395-R398 CarbonylContact O-C 3.59Å; R395-R398 PolarHBondContact O-N 3.02Å; R395-E399 IonicContact NE-OE1 2.84Å; R395-E399 PolarHBondContact NE-OE1 3.03Å; R395-E399 IonicContact NH2-OE1 3.29Å; R395-E399 WeakPolarHBondContact O-CB 3.46Å; R395-E399 WeakPolarHBondContact O-CG 3.15Å; R395-E399 PolarHBondContact O-N 2.98Å |
| 396 | E | 33.8 | Very low | 33.9 | Very low | 131 Ų | 131 | 114.2 Ų | 114.2 | 61% | 0.612 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.3 | -36.1 | 168.5 | -74.6 | -175.7 | 165.7 | 0 | 0 | 110.8 | L392 A393 E399 N400 | L392-E396 WeakPolarHBondContact O-CB 3.35Å; L392-E396 PolarHBondContact O-N 2.75Å; A393-E396 PolarHBondContact O-N 2.82Å; E396-E399 PolarHBondContact O-N 3.18Å; E396-N400 WeakPolarHBondContact O-CB 3.24Å; E396-N400 PolarHBondContact O-N 3.48Å |
| 397 | Q | 30.2 | Very low | 35.8 | Very low | 133 Ų | 133 | 119 Ų | 119 | 62% | 0.621 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.2 | -35.7 | 169.7 | -88.2 | -177.6 | -64.7 | 0 | 0 | 112.6 | A393 R395 V401 | A393-Q397 VanDerWaalsContact O-CB 3.28Å; A393-Q397 WeakPolarHBondContact O-CB 3.39Å; A393-Q397 WeakPolarHBondContact O-CG 3.4Å; A393-Q397 PolarHBondContact O-N 3.44Å; R395-Q397 VanDerWaalsContact C-N 3.33Å; Q397-V401 WeakPolarHBondContact O-CG2 3.21Å |
| 398 | R | 31.3 | Very low | 38.2 | Very low | 201 Ų | 201 | 115.4 Ų | 115.4 | 76% | 0.758 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -77 | -26.3 | 176.2 | -79.1 | 177.4 | -173.3 | -161.2 | 3 | 113.3 | D394 R395 V401 | D394-R398 VanDerWaalsContact O-CB 3.3Å; D394-R398 WeakPolarHBondContact O-CB 3.43Å; D394-R398 WeakPolarHBondContact O-CG 3.48Å; D394-R398 PolarHBondContact O-N 2.9Å; R395-R398 CarbonylContact O-C 3.59Å; R395-R398 PolarHBondContact O-N 3.02Å; R398-V401 VanDerWaalsContact O-CG2 3.25Å; R398-V401 WeakPolarHBondContact O-CG2 3.28Å |
| 399 | E | 33.4 | Very low | 40.8 | Very low | 136 Ų | 136 | 110.1 Ų | 110.1 | 64% | 0.636 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -87.5 | -19 | 176.9 | -72.5 | -179.2 | -166.9 | 0 | 0 | 112.2 | R395 E396 | R395-E399 IonicContact NE-OE1 2.84Å; R395-E399 PolarHBondContact NE-OE1 3.03Å; R395-E399 IonicContact NH2-OE1 3.29Å; R395-E399 WeakPolarHBondContact O-CB 3.46Å; R395-E399 WeakPolarHBondContact O-CG 3.15Å; R395-E399 PolarHBondContact O-N 2.98Å; E396-E399 PolarHBondContact O-N 3.18Å |
| 400 | N | 28.3 | Very low | 43.2 | Very low | 97 Ų | 97 | 107.9 Ų | 107.9 | 52% | 0.519 | 55% | 0.552 | S | S | . | * | trans | -109 | 37.3 | 172.6 | -83.6 | -20.9 | 0 | 0 | 0 | 114.5 | E396 G402 | E396-N400 WeakPolarHBondContact O-CB 3.24Å; E396-N400 PolarHBondContact O-N 3.48Å; N400-G402 PolarHBondContact O-N 2.81Å | ||
| 401 | V | 31.5 | Very low | 46.2 | Very low | 125 Ų | 125 | 102.2 Ų | 102.2 | 76% | 0.758 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 49.2 | 178.3 | -173 | 0 | 0 | 0 | 0 | 112.6 | Q397 R398 | Q397-V401 WeakPolarHBondContact O-CG2 3.21Å; R398-V401 VanDerWaalsContact O-CG2 3.25Å; R398-V401 WeakPolarHBondContact O-CG2 3.28Å |
| 402 | G | 29.8 | Very low | 49.1 | Very low | 75 Ų | 75 | 95 Ų | 95 | 77% | 0.773 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -159.5 | -1.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116 | N400 | N400-G402 PolarHBondContact O-N 2.81Š|
| 403 | Q | 30.9 | Very low | 52.1 | Low | 123 Ų | 123 | 90.9 Ų | 90.9 | 58% | 0.575 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -98.3 | 126.6 | 176.1 | -95.1 | -179.9 | -33.2 | 0 | 0 | 111.5 | V405 | Q403-V405 PolarHBondContact O-N 2.93Š|
| 404 | E | 37.6 | Very low | 55 | Low | 193 Ų | 193 | 88.5 Ų | 88.5 | 90% | 0.902 | 45% | 0.453 | S | S | * | . | trans | -50.6 | 121.8 | 174.7 | -72.6 | -179.3 | 150.9 | 0 | 0 | 110.6 | G406 | E404-G406 PolarHBondContact O-N 2.86Š| ||
| 405 | V | 47 | Very low | 57.9 | Low | 135 Ų | 135 | 85.2 Ų | 85.2 | 82% | 0.818 | 44% | 0.436 | S | S | * | . | trans | -63 | 108.8 | 173.3 | 179.8 | 0 | 0 | 0 | 0 | 107.7 | Q403 | Q403-V405 PolarHBondContact O-N 2.93Š| ||
| 406 | G | 57.5 | Low | 60.8 | Low | 36 Ų | 36 | 78.2 Ų | 78.2 | 37% | 0.371 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -56 | 142 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E404 L408 | E404-G406 PolarHBondContact O-N 2.86Å; G406-L408 PolarHBondContact O-N 3.09Å |
| 407 | K | 67.9 | Low | 63.4 | Low | 139 Ų | 139 | 72 Ų | 72 | 60% | 0.604 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 129.4 | 176.7 | -168 | 177.1 | -177.6 | -179.4 | 0 | 110.1 | T409 S539 | K407-T409 PolarHBondContact O-N 3.28Å; K407-S539 WeakPolarHBondContact CE-O 3.2Å |
| 408 | L | 78.2 | Confident | 66 | Low | 23 Ų | 23 | 65.8 Ų | 65.8 | 12% | 0.12 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 130 | 176.4 | -76.8 | 167.2 | 0 | 0 | 0 | 110.7 | G406 H457 A460 F531 K536 F540 | G406-L408 PolarHBondContact O-N 3.09Å; L408-H457 WeakPolarHBondContact CD2-O 3.39Å; L408-A460 HydrophobicContact CD1-CB 4.28Å; L408-A460 HydrophobicContact CD2-CB 4.21Å; L408-F531 HydrophobicContact CD1-CE2 4.27Å; L408-F531 HydrophobicContact CD1-CZ 4.16Å; L408-K536 HydrophobicContact CD1-CB 3.86Å; L408-K536 WeakPolarHBondContact CD1-O 3.41Å; L408-F540 HydrophobicContact CB-CD2 4.17Å |
| 409 | T | 83.4 | Confident | 68.5 | Low | 64 Ų | 64 | 57.3 Ų | 57.3 | 39% | 0.393 | 32% | 0.321 | S | S | . | . | trans | -117.8 | -18 | -177.4 | 57.2 | 0 | 0 | 0 | 0 | 113.8 | K407 A458 G542 E543 | K407-T409 PolarHBondContact O-N 3.28Å; T409-A458 PolarHBondContact N-O 2.98Å; T409-A458 PolarHBondContact OG1-O 3.02Å; T409-G542 CarbonylContact O-C 3.48Å; T409-G542 WeakPolarHBondContact O-CA 3.25Å; T409-E543 PolarHBondContact O-N 3.48Å | ||
| 410 | K | 89 | Confident | 70.9 | Confident | 27 Ų | 27 | 51 Ų | 51 | 12% | 0.117 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 140 | 178.8 | -50.1 | -69.5 | 179.6 | 168.2 | 0 | 111 | A458 I459 A460 E543 L832 L833 | K410-A458 PolarHBondContact N-O 3.16Å; K410-I459 HydrophobicContact CB-CB 4.5Å; K410-I459 HydrophobicContact CB-CG1 4.09Å; K410-I459 HydrophobicContact CB-CG2 4.31Å; K410-I459 HydrophobicContact CG-CG1 4.46Å; K410-I459 WeakPolarHBondContact O-CA 3.37Å; K410-A460 PolarHBondContact O-N 2.88Å; K410-E543 CarbonylContact C-O 3.43Å; K410-E543 WeakPolarHBondContact CA-O 3.17Å; K410-E543 HydrophobicContact CD-CB 3.98Å; K410-E543 IonicContact NZ-OE1 3.74Å; K410-E543 PolarHBondContact NZ-OE1 3.28Å; K410-E543 IonicContact NZ-OE2 3.89Å; K410-E543 PolarHBondContact NZ-OE2 3.42Å; K410-L832 WeakPolarHBondContact CE-O 3.5Å; K410-L832 PolarHBondContact NZ-O 2.87Å; K410-L833 HydrophobicContact CG-CD2 4.28Å |
| 411 | L | 92.8 | Very high | 73.1 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.6 | 171.4 | 175 | 66.4 | 0 | 0 | 0 | 108.8 | L413 A460 R462 Y528 F531 F540 E543 V544 S545 | L411-L413 HydrophobicContact CD1-CD2 4.24Å; L411-L413 HydrophobicContact CD2-CD2 3.99Å; L411-L413 HydrophobicContact CD2-CG 4.41Å; L411-L413 HydrophobicContact CG-CD2 4.02Å; L411-L413 HydrophobicContact CG-CG 4.37Å; L411-A460 CarbonylContact C-O 3.39Å; L411-A460 WeakPolarHBondContact CA-O 3.32Å; L411-A460 HydrophobicContact CD1-CB 3.85Å; L411-R462 HydrophobicContact CD1-CG 4.08Å; L411-Y528 HydrophobicContact CD2-CD2 3.63Å; L411-Y528 HydrophobicContact CD2-CE2 3.93Å; L411-F531 HydrophobicContact CB-CE1 4.39Å; L411-F531 HydrophobicContact CD1-CD1 3.98Å; L411-F531 HydrophobicContact CD1-CD2 4.17Å; L411-F531 HydrophobicContact CD1-CE1 3.96Å; L411-F531 HydrophobicContact CD1-CE2 4.17Å; L411-F531 HydrophobicContact CD1-CG 4.07Å; L411-F531 HydrophobicContact CD1-CZ 4.06Å; L411-F531 HydrophobicContact CD2-CD1 3.6Å; L411-F531 HydrophobicContact CD2-CE1 3.86Å; L411-F531 HydrophobicContact CD2-CG 4.26Å; L411-F531 HydrophobicContact CG-CD1 4.36Å; L411-F531 HydrophobicContact CG-CE1 4.3Å; L411-F540 HydrophobicContact CB-CE1 4.08Å; L411-F540 HydrophobicContact CB-CE2 3.9Å; L411-F540 HydrophobicContact CB-CZ 3.44Å; L411-F540 VanDerWaalsContact CB-CZ 3.44Å; L411-F540 HydrophobicContact CD2-CE1 4.46Å; L411-E543 PolarHBondContact N-O 3.22Å; L411-V544 HydrophobicContact CB-CG1 4.5Å; L411-V544 HydrophobicContact CB-CG2 4.39Å; L411-V544 HydrophobicContact CD2-CG1 4.15Å; L411-V544 HydrophobicContact CD2-CG2 4.16Å; L411-V544 HydrophobicContact CG-CG1 4.35Å; L411-V544 CarbonylContact O-C 3.57Å; L411-V544 WeakPolarHBondContact O-CA 3.32Å; L411-S545 PolarHBondContact O-N 2.87Å |
| 412 | L | 93.9 | Very high | 75.1 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 113.7 | 174.4 | -175.4 | 64.2 | 0 | 0 | 0 | 109.7 | F440 I459 A460 V461 R462 S545 C547 V828 L832 | L412-F440 HydrophobicContact CD2-CE1 3.96Å; L412-I459 HydrophobicContact CB-CG2 4.44Å; L412-A460 PolarHBondContact N-O 2.83Å; L412-V461 HydrophobicContact CB-CG2 4.37Å; L412-V461 HydrophobicContact CD2-CG2 4.43Å; L412-V461 CarbonylContact O-C 3.45Å; L412-V461 WeakPolarHBondContact O-CA 3.33Å; L412-R462 PolarHBondContact O-N 2.82Å; L412-S545 CarbonylContact C-O 3.56Å; L412-S545 WeakPolarHBondContact CA-O 3.4Å; L412-C547 HydrophobicContact CD1-CB 4.18Å; L412-V828 HydrophobicContact CD2-CG1 4.21Å; L412-L832 HydrophobicContact CD2-CD1 4.5Å |
| 413 | L | 96.1 | Very high | 76.7 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 123.8 | 174 | -60.5 | -177.8 | 0 | 0 | 0 | 109.7 | L411 F415 R462 V464 V527 V544 S545 I546 C547 F637 | L411-L413 HydrophobicContact CD1-CD2 4.24Å; L411-L413 HydrophobicContact CD2-CD2 3.99Å; L411-L413 HydrophobicContact CD2-CG 4.41Å; L411-L413 HydrophobicContact CG-CD2 4.02Å; L411-L413 HydrophobicContact CG-CG 4.37Å; L413-F415 HydrophobicContact CB-CE2 4.29Å; L413-R462 WeakPolarHBondContact CA-O 3.26Å; L413-R462 HydrophobicContact CD2-CB 3.9Å; L413-V464 HydrophobicContact CB-CG2 4.12Å; L413-V527 HydrophobicContact CD2-CG1 4.19Å; L413-V544 HydrophobicContact CD1-CG1 3.85Å; L413-V544 HydrophobicContact CG-CG1 3.98Å; L413-S545 PolarHBondContact N-O 3.43Å; L413-I546 HydrophobicContact CB-CG1 4.34Å; L413-I546 WeakPolarHBondContact O-CA 3.44Å; L413-C547 PolarHBondContact O-N 2.54Å; L413-F637 HydrophobicContact CD1-CD2 4.5Å; L413-F637 HydrophobicContact CD1-CE1 4.01Å; L413-F637 HydrophobicContact CD1-CE2 3.53Å; L413-F637 HydrophobicContact CD1-CZ 3.22Å |
| 414 | V | 95.6 | Very high | 78.1 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 101.7 | -177.1 | -169.9 | 0 | 0 | 0 | 0 | 109.6 | H416 V437 V461 R462 V464 C547 W819 | V414-H416 PolarHBondContact O-N 3.29Å; V414-V437 HydrophobicContact CB-CG1 4.3Å; V414-V437 HydrophobicContact CB-CG2 4.1Å; V414-V437 HydrophobicContact CG1-CG2 3.67Å; V414-V437 HydrophobicContact CG2-CG1 4.07Å; V414-V461 HydrophobicContact CG2-CG1 3.47Å; V414-V461 VanDerWaalsContact CG2-CG1 3.47Å; V414-R462 PolarHBondContact N-O 2.96Å; V414-V464 PolarHBondContact O-N 3.29Å; V414-C547 CarbonylContact C-O 3.57Å; V414-C547 VanDerWaalsContact CA-O 3.31Å; V414-C547 WeakPolarHBondContact CA-O 3.23Å; V414-W819 HydrophobicContact CG1-CH2 3.51Å; V414-W819 HydrophobicContact CG1-CZ3 3.56Å |
| 415 | F | 95.8 | Very high | 79 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 104.3 | 173.6 | -78.9 | -123 | 0 | 0 | 0 | 108.5 | L413 V464 A520 A524 I546 C547 G548 D549 G552 A556 L635 | L413-F415 HydrophobicContact CB-CE2 4.29Å; F415-V464 WeakPolarHBondContact CA-O 3.44Å; F415-V464 HydrophobicContact CD1-CG1 4.24Å; F415-V464 HydrophobicContact CD2-CB 3.97Å; F415-V464 HydrophobicContact CD2-CG1 4.28Å; F415-V464 HydrophobicContact CD2-CG2 4.15Å; F415-V464 HydrophobicContact CE1-CG1 4.22Å; F415-V464 HydrophobicContact CE2-CB 4.21Å; F415-V464 HydrophobicContact CE2-CG1 4.25Å; F415-V464 HydrophobicContact CE2-CG2 4.03Å; F415-V464 HydrophobicContact CG-CB 4.25Å; F415-V464 HydrophobicContact CG-CG1 4.29Å; F415-V464 HydrophobicContact CZ-CG1 4.24Å; F415-A520 HydrophobicContact CE1-CB 4.4Å; F415-A524 HydrophobicContact CE1-CB 4.26Å; F415-A524 HydrophobicContact CE2-CB 4.02Å; F415-A524 HydrophobicContact CZ-CB 3.46Å; F415-A524 VanDerWaalsContact CZ-CB 3.46Å; F415-I546 HydrophobicContact CD2-CG2 3.47Å; F415-I546 VanDerWaalsContact CD2-CG2 3.47Å; F415-I546 HydrophobicContact CE2-CD1 3.74Å; F415-I546 HydrophobicContact CE2-CG1 4.05Å; F415-I546 HydrophobicContact CE2-CG2 3.78Å; F415-I546 HydrophobicContact CG-CG2 4.18Å; F415-I546 HydrophobicContact CZ-CD1 4.11Å; F415-C547 PolarHBondContact N-O 2.98Å; F415-G548 WeakPolarHBondContact O-CA 3.39Å; F415-D549 PolarHBondContact O-N 2.94Å; F415-G552 WeakPolarHBondContact CB-O 3.47Å; F415-G552 WeakPolarHBondContact O-CA 3.37Å; F415-A556 HydrophobicContact CB-CB 4.41Å; F415-A556 HydrophobicContact CD1-CB 3.9Å; F415-A556 HydrophobicContact CD2-CB 4.45Å; F415-A556 HydrophobicContact CE1-CB 4.21Å; F415-A556 HydrophobicContact CG-CB 4.02Å; F415-L635 HydrophobicContact CZ-CD2 4.44Å |
| 416 | H | 93.3 | Very high | 79.5 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 109 | -175 | -167.7 | -53.9 | 0 | 0 | 0 | 110 | V414 K433 D436 V437 L463 V464 C466 D549 Y815 W819 | V414-H416 PolarHBondContact O-N 3.29Å; H416-K433 VanDerWaalsContact ND1-CG 3.34Å; H416-K433 WeakPolarHBondContact ND1-CG 3.42Å; H416-D436 IonicContact CE1-OD2 3.48Å; H416-D436 WeakPolarHBondContact NE2-CB 3.23Å; H416-D436 IonicContact NE2-OD2 3.61Å; H416-D436 PolarHBondContact NE2-OD2 2.94Å; H416-V437 HydrophobicContact CB-CG2 4.38Å; H416-L463 HydrophobicContact CB-CD1 3.58Å; H416-V464 PolarHBondContact N-O 2.95Å; H416-C466 PolarHBondContact O-N 3.46Å; H416-D549 IonicContact CE1-OD2 2.72Å; H416-D549 IonicContact CG-OD2 3.63Å; H416-D549 IonicContact ND1-OD2 3.6Å; H416-D549 PolarHBondContact ND1-OD2 3.25Å; H416-Y815 PolarHBondContact CE1-OH 3.44Å; H416-Y815 PolarHBondContact NE2-OH 3.37Å; H416-W819 AromaticContact CD2-CE2 3.82Å; H416-W819 AromaticContact CD2-CH2 3.83Å; H416-W819 AromaticContact CD2-CZ2 3.25Å; H416-W819 WeakPolarHBondContact CD2-CZ2 3.36Å; H416-W819 AromaticContact NE2-CE2 3.82Å; H416-W819 AromaticContact NE2-CZ2 3.64Å; H416-W819 AromaticContact NE2-NE1 3.78Å |
| 417 | G | 87.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -108.6 | -17 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | C466 N468 D549 | G417-C466 WeakPolarHBondContact CA-O 3.37Å; G417-N468 WeakPolarHBondContact O-CB 3.46Å; G417-D549 PolarHBondContact N-OD1 3.07Å; G417-D549 PolarHBondContact N-OD2 3.35Å | ||
| 418 | G | 84.9 | Confident | 78.7 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | trans | 108.7 | -177.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D549 Y815 | G418-D549 WeakPolarHBondContact CA-OD2 3.34Å; G418-D549 PolarHBondContact N-OD2 3.27Å; G418-Y815 VanDerWaalsContact CA-OH 3.32Å; G418-Y815 WeakPolarHBondContact CA-OH 3.42Å | ||
| 419 | H | 84.1 | Confident | 78 | Confident | 22 Ų | 22 | 37.2 Ų | 37.2 | 10% | 0.102 | 21% | 0.208 | C | C | . | . | trans | -80.6 | 150.3 | -179.8 | -178.1 | -112.1 | 0 | 0 | 0 | 112.5 | L421 D422 N468 S811 Y815 | H419-L421 VanDerWaalsContact C-N 3.26Å; H419-L421 VanDerWaalsContact CE1-CB 3.5Å; H419-L421 WeakPolarHBondContact CE1-CB 3.07Å; H419-L421 PolarHBondContact ND1-N 3.25Å; H419-L421 VanDerWaalsContact ND1-N 3.12Å; H419-L421 PolarHBondContact O-N 3.49Å; H419-D422 HydrophobicContact CB-CB 4.31Å; H419-D422 WeakPolarHBondContact O-CB 3.32Å; H419-D422 PolarHBondContact O-N 3.35Å; H419-D422 VanDerWaalsContact O-N 3.08Å; H419-N468 PolarHBondContact O-ND2 3.34Å; H419-S811 PolarHBondContact NE2-O 3.05Å; H419-Y815 HydrophobicContact CB-CD1 4.08Å; H419-Y815 HydrophobicContact CB-CD2 4Å; H419-Y815 HydrophobicContact CB-CE1 4.19Å; H419-Y815 HydrophobicContact CB-CE2 4.09Å; H419-Y815 HydrophobicContact CB-CG 3.99Å; H419-Y815 VanDerWaalsContact CD2-CB 3.42Å; H419-Y815 WeakPolarHBondContact CD2-CB 3.09Å; H419-Y815 AromaticContact CD2-CD2 3.72Å; H419-Y815 AromaticContact CD2-CG 3.56Å | ||
| 420 | I | 82.6 | Confident | 77.3 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -36.4 | -179.3 | -57.4 | 175.3 | 0 | 0 | 0 | 112.5 | F470 P500 V503 P504 A550 S683 | I420-F470 HydrophobicContact CB-CD2 4.4Å; I420-F470 HydrophobicContact CG1-CD2 4.23Å; I420-F470 HydrophobicContact CG1-CE2 4.22Å; I420-F470 HydrophobicContact CG2-CD2 4.27Å; I420-P500 WeakPolarHBondContact CG2-O 3.49Å; I420-V503 HydrophobicContact CG2-CB 3.87Å; I420-V503 HydrophobicContact CG2-CG1 3.93Å; I420-V503 HydrophobicContact CG2-CG2 4.46Å; I420-P504 HydrophobicContact CD1-CG 4.33Å; I420-P504 HydrophobicContact CG2-CG 4.37Å; I420-A550 HydrophobicContact CD1-CB 3.88Å; I420-A550 HydrophobicContact CG1-CB 3.47Å; I420-A550 VanDerWaalsContact CG1-CB 3.47Å; I420-S683 VanDerWaalsContact CD1-CB 3.49Å |
| 421 | L | 76.3 | Confident | 76.4 | Confident | 41 Ų | 41 | 41.6 Ų | 41.6 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 9.4 | -179.9 | -53.9 | 179.1 | 0 | 0 | 0 | 113.8 | H419 A423 L474 W496 P500 | H419-L421 VanDerWaalsContact C-N 3.26Å; H419-L421 VanDerWaalsContact CE1-CB 3.5Å; H419-L421 WeakPolarHBondContact CE1-CB 3.07Å; H419-L421 PolarHBondContact ND1-N 3.25Å; H419-L421 VanDerWaalsContact ND1-N 3.12Å; H419-L421 PolarHBondContact O-N 3.49Å; L421-A423 PolarHBondContact O-N 2.86Å; L421-L474 HydrophobicContact CD2-CD1 3.8Å; L421-L474 WeakPolarHBondContact O-CD2 3.32Å; L421-W496 HydrophobicContact CD2-CE3 4.44Å; L421-W496 HydrophobicContact CD2-CZ3 4.29Å; L421-P500 HydrophobicContact CD1-CG 4.44Å; L421-P500 HydrophobicContact CD2-CB 4.2Å; L421-P500 HydrophobicContact CD2-CG 4.12Å |
| 422 | D | 73.6 | Confident | 75.4 | Confident | 41 Ų | 41 | 44.6 Ų | 44.6 | 22% | 0.219 | 25% | 0.249 | C | C | . | . | trans | -76.2 | 116.1 | 175.5 | -168.4 | 2.7 | 0 | 0 | 0 | 110.4 | H419 C424 T429 N468 | H419-D422 HydrophobicContact CB-CB 4.31Å; H419-D422 WeakPolarHBondContact O-CB 3.32Å; H419-D422 PolarHBondContact O-N 3.35Å; H419-D422 VanDerWaalsContact O-N 3.08Å; D422-C424 VanDerWaalsContact OD1-CB 3.23Å; D422-C424 WeakPolarHBondContact OD1-CB 2.94Å; D422-C424 PolarHBondContact OD1-N 2.92Å; D422-C424 PolarHBondContact OD1-SG 2.8Å; D422-T429 WeakPolarHBondContact OD2-CG2 3.39Å; D422-N468 PolarHBondContact O-ND2 2.97Å | ||
| 423 | A | 62.5 | Low | 74.9 | Confident | 39 Ų | 39 | 45 Ų | 45 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | trans | -91.6 | -2.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L421 C471 L474 | L421-A423 PolarHBondContact O-N 2.86Å; A423-C471 PolarHBondContact O-SG 3.15Å; A423-L474 HydrophobicContact CB-CD2 4.12Å | ||
| 424 | C | 59.5 | Low | 74.1 | Confident | 62 Ų | 62 | 49.1 Ų | 49.1 | 42% | 0.419 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -76.7 | 152.1 | -173.6 | -58.4 | 0 | 0 | 0 | 0 | 112.9 | D422 T429 | D422-C424 VanDerWaalsContact OD1-CB 3.23Å; D422-C424 WeakPolarHBondContact OD1-CB 2.94Å; D422-C424 PolarHBondContact OD1-N 2.92Å; D422-C424 PolarHBondContact OD1-SG 2.8Å; C424-T429 HydrophobicContact CB-CG2 3.82Å |
| 425 | S | 57.6 | Low | 73.2 | Confident | 79 Ų | 79 | 51.5 Ų | 51.5 | 55% | 0.552 | 28% | 0.281 | S | S | * | . | trans | -75.8 | 146.6 | 171.9 | 57.6 | 0 | 0 | 0 | 0 | 111.8 | Q427 M428 | S425-Q427 VanDerWaalsContact C-N 3.25Å; S425-Q427 PolarHBondContact O-N 2.89Å; S425-M428 PolarHBondContact O-N 3.34Å | ||
| 426 | D | 57.8 | Low | 72.7 | Confident | 58 Ų | 58 | 53 Ų | 53 | 31% | 0.31 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -54.8 | -30.5 | -172.4 | -65 | -56.8 | 0 | 0 | 0 | 116 | M428 T429 T430 K433 A467 N468 | D426-M428 PolarHBondContact O-N 3.48Å; D426-T429 PolarHBondContact O-N 2.93Å; D426-T429 PolarHBondContact O-OG1 2.82Å; D426-T430 PolarHBondContact O-N 3.34Å; D426-T430 PolarHBondContact O-OG1 3.08Å; D426-K433 IonicContact OD1-NZ 3.96Å; D426-K433 PolarHBondContact OD1-NZ 3.11Å; D426-A467 WeakPolarHBondContact OD1-CA 2.99Å; D426-A467 VanDerWaalsContact OD2-CB 3.32Å; D426-A467 WeakPolarHBondContact OD2-CB 3.46Å; D426-N468 PolarHBondContact OD1-N 2.88Å |
| 427 | Q | 55.1 | Low | 72.3 | Confident | 187 Ų | 187 | 53.3 Ų | 53.3 | 87% | 0.874 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.9 | -30.5 | 178.7 | -70.2 | -177.5 | -0.4 | 0 | 0 | 112.4 | S425 | S425-Q427 VanDerWaalsContact C-N 3.25Å; S425-Q427 PolarHBondContact O-N 2.89Å |
| 428 | M | 52.2 | Low | 72.1 | Confident | 138 Ų | 138 | 59.8 Ų | 59.8 | 68% | 0.68 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -87.3 | -21.6 | -178.1 | -158.3 | 146.6 | -173 | 0 | 0 | 112.6 | S425 D426 | S425-M428 PolarHBondContact O-N 3.34Å; D426-M428 PolarHBondContact O-N 3.48Å |
| 429 | T | 63.8 | Low | 71.7 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 8% | 0.08 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -96.8 | -13 | -173.9 | 62.3 | 0 | 0 | 0 | 0 | 113.4 | D422 C424 D426 H431 C432 K433 | D422-T429 WeakPolarHBondContact OD2-CG2 3.39Å; C424-T429 HydrophobicContact CB-CG2 3.82Å; D426-T429 PolarHBondContact O-N 2.93Å; D426-T429 PolarHBondContact O-OG1 2.82Å; T429-H431 VanDerWaalsContact C-N 3.3Å; T429-H431 PolarHBondContact O-N 2.78Å; T429-C432 WeakPolarHBondContact O-CA 3.18Å; T429-C432 VanDerWaalsContact O-CB 3.32Å; T429-C432 WeakPolarHBondContact O-CB 3.35Å; T429-C432 PolarHBondContact O-N 2.72Å; T429-K433 WeakPolarHBondContact O-CG 3.34Å; T429-K433 PolarHBondContact O-N 3.37Å; T429-K433 WeakPolarHBondContact OG1-CE 3.49Å |
| 430 | T | 68.5 | Low | 71.8 | Confident | 67 Ų | 67 | 60.3 Ų | 60.3 | 41% | 0.411 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -54.5 | -43.6 | -175.9 | -59.3 | 0 | 0 | 0 | 0 | 112.6 | D426 C432 K433 E434 | D426-T430 PolarHBondContact O-N 3.34Å; D426-T430 PolarHBondContact O-OG1 3.08Å; T430-C432 VanDerWaalsContact C-N 3.34Å; T430-C432 PolarHBondContact O-N 3.21Å; T430-K433 PolarHBondContact O-N 3.3Å; T430-E434 PolarHBondContact O-N 2.99Å; T430-E434 VanDerWaalsContact O-N 3.13Å |
| 431 | H | 70.1 | Confident | 71.9 | Confident | 116 Ų | 116 | 65.1 Ų | 65.1 | 54% | 0.537 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 175.9 | -179.2 | -84.9 | 0 | 0 | 0 | 112.4 | T429 E434 Q435 | T429-H431 VanDerWaalsContact C-N 3.3Å; T429-H431 PolarHBondContact O-N 2.78Å; H431-E434 PolarHBondContact O-N 3.3Å; H431-Q435 WeakPolarHBondContact O-CB 3.23Å; H431-Q435 PolarHBondContact O-N 2.95Å |
| 432 | C | 72.7 | Confident | 72 | Confident | 64 Ų | 64 | 68.3 Ų | 68.3 | 43% | 0.432 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 176.6 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | T429 T430 E434 Q435 D436 | T429-C432 WeakPolarHBondContact O-CA 3.18Å; T429-C432 VanDerWaalsContact O-CB 3.32Å; T429-C432 WeakPolarHBondContact O-CB 3.35Å; T429-C432 PolarHBondContact O-N 2.72Å; T430-C432 VanDerWaalsContact C-N 3.34Å; T430-C432 PolarHBondContact O-N 3.21Å; C432-E434 VanDerWaalsContact C-N 3.34Å; C432-E434 PolarHBondContact O-N 3.43Å; C432-Q435 WeakPolarHBondContact O-CB 3.46Å; C432-Q435 PolarHBondContact O-N 3.36Å; C432-Q435 VanDerWaalsContact O-N 3.13Å; C432-D436 PolarHBondContact O-N 2.96Å |
| 433 | K | 82.5 | Confident | 72.3 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 4% | 0.039 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 176.3 | -55.4 | -174.3 | -179.9 | 168.9 | 0 | 111.5 | H416 D426 T429 T430 Q435 D436 V437 C466 | H416-K433 VanDerWaalsContact ND1-CG 3.34Å; H416-K433 WeakPolarHBondContact ND1-CG 3.42Å; D426-K433 IonicContact OD1-NZ 3.96Å; D426-K433 PolarHBondContact OD1-NZ 3.11Å; T429-K433 WeakPolarHBondContact O-CG 3.34Å; T429-K433 PolarHBondContact O-N 3.37Å; T429-K433 WeakPolarHBondContact OG1-CE 3.49Å; T430-K433 PolarHBondContact O-N 3.3Å; K433-Q435 VanDerWaalsContact C-N 3.31Å; K433-Q435 PolarHBondContact O-N 3.43Å; K433-D436 PolarHBondContact O-N 3.26Å; K433-V437 WeakPolarHBondContact O-CG2 3.24Å; K433-V437 PolarHBondContact O-N 3.38Å; K433-V437 VanDerWaalsContact O-N 3.08Å; K433-C466 PolarHBondContact NZ-O 2.86Å |
| 434 | E | 80.1 | Confident | 73.1 | Confident | 86 Ų | 86 | 65 Ų | 65 | 40% | 0.402 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 175.9 | -72.9 | -174.1 | -177.2 | 0 | 0 | 112.5 | T430 H431 C432 R438 L463 | T430-E434 PolarHBondContact O-N 2.99Å; T430-E434 VanDerWaalsContact O-N 3.13Å; H431-E434 PolarHBondContact O-N 3.3Å; C432-E434 VanDerWaalsContact C-N 3.34Å; C432-E434 PolarHBondContact O-N 3.43Å; E434-R438 WeakPolarHBondContact O-CB 3.47Å; E434-R438 PolarHBondContact O-N 3.25Å; E434-R438 IonicContact OE2-NH2 3.43Å; E434-L463 HydrophobicContact CG-CD2 3.93Å |
| 435 | Q | 77.6 | Confident | 73.9 | Confident | 49 Ų | 49 | 64.9 Ų | 64.9 | 23% | 0.229 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 177.6 | -175.9 | -178.1 | -33.1 | 0 | 0 | 111.9 | L382 H431 C432 K433 R438 A439 | L382-Q435 HydrophobicContact CD1-CG 3.94Å; H431-Q435 WeakPolarHBondContact O-CB 3.23Å; H431-Q435 PolarHBondContact O-N 2.95Å; C432-Q435 WeakPolarHBondContact O-CB 3.46Å; C432-Q435 PolarHBondContact O-N 3.36Å; C432-Q435 VanDerWaalsContact O-N 3.13Å; K433-Q435 VanDerWaalsContact C-N 3.31Å; K433-Q435 PolarHBondContact O-N 3.43Å; Q435-R438 PolarHBondContact O-N 3.42Å; Q435-A439 WeakPolarHBondContact O-CB 3.2Å; Q435-A439 PolarHBondContact O-N 3.44Å |
| 436 | D | 83.8 | Confident | 74.6 | Confident | 32 Ų | 32 | 63.8 Ų | 63.8 | 17% | 0.171 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 177.5 | -67.7 | -15.1 | 0 | 0 | 0 | 111.2 | H416 C432 K433 R438 A439 F440 W819 | H416-D436 IonicContact CE1-OD2 3.48Å; H416-D436 WeakPolarHBondContact NE2-CB 3.23Å; H416-D436 IonicContact NE2-OD2 3.61Å; H416-D436 PolarHBondContact NE2-OD2 2.94Å; C432-D436 PolarHBondContact O-N 2.96Å; K433-D436 PolarHBondContact O-N 3.26Å; D436-R438 VanDerWaalsContact C-N 3.32Å; D436-R438 PolarHBondContact O-N 2.83Å; D436-A439 PolarHBondContact O-N 3.13Å; D436-F440 WeakPolarHBondContact O-CB 3.46Å; D436-F440 PolarHBondContact O-N 2.72Å; D436-W819 HydrophobicContact CB-CB 4.41Å; D436-W819 HydrophobicContact CB-CD2 4.24Å; D436-W819 HydrophobicContact CB-CG 3.95Å |
| 437 | V | 85 | Confident | 75.3 | Confident | 10 Ų | 10 | 61 Ų | 61 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.5 | -33.1 | 178.4 | 178 | 0 | 0 | 0 | 0 | 111.8 | V414 H416 K433 R441 V461 L463 | V414-V437 HydrophobicContact CB-CG1 4.3Å; V414-V437 HydrophobicContact CB-CG2 4.1Å; V414-V437 HydrophobicContact CG1-CG2 3.67Å; V414-V437 HydrophobicContact CG2-CG1 4.07Å; H416-V437 HydrophobicContact CB-CG2 4.38Å; K433-V437 WeakPolarHBondContact O-CG2 3.24Å; K433-V437 PolarHBondContact O-N 3.38Å; K433-V437 VanDerWaalsContact O-N 3.08Å; V437-R441 WeakPolarHBondContact O-CB 3.2Å; V437-R441 PolarHBondContact O-N 3.02Å; V437-V461 HydrophobicContact CG1-CG1 4.39Å; V437-L463 HydrophobicContact CG1-CB 4.17Å; V437-L463 HydrophobicContact CG2-CB 4.43Å; V437-L463 HydrophobicContact CG2-CD1 3.69Å; V437-L463 HydrophobicContact CG2-CG 4.49Å |
| 438 | R | 82.9 | Confident | 76 | Confident | 135 Ų | 135 | 52.3 Ų | 52.3 | 51% | 0.509 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 173.9 | -173.6 | -177.7 | -63.6 | 105.1 | 0.2 | 110.9 | E434 Q435 D436 W442 | E434-R438 WeakPolarHBondContact O-CB 3.47Å; E434-R438 PolarHBondContact O-N 3.25Å; E434-R438 IonicContact OE2-NH2 3.43Å; Q435-R438 PolarHBondContact O-N 3.42Å; D436-R438 VanDerWaalsContact C-N 3.32Å; D436-R438 PolarHBondContact O-N 2.83Å; R438-W442 WeakPolarHBondContact O-CB 3.15Å; R438-W442 PolarHBondContact O-N 3.35Å |
| 439 | A | 76.8 | Confident | 76.7 | Confident | 37 Ų | 37 | 48.9 Ų | 48.9 | 31% | 0.306 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62 | -50.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q435 D436 R441 W442 L443 | Q435-A439 WeakPolarHBondContact O-CB 3.2Å; Q435-A439 PolarHBondContact O-N 3.44Å; D436-A439 PolarHBondContact O-N 3.13Å; A439-R441 PolarHBondContact O-N 2.9Å; A439-W442 PolarHBondContact O-N 3.03Å; A439-L443 WeakPolarHBondContact O-CB 3.39Å; A439-L443 PolarHBondContact O-N 3.22Å |
| 440 | F | 86.5 | Confident | 76.6 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64 | -40.3 | 179.8 | -174.6 | -109.8 | 0 | 0 | 0 | 112.7 | L412 D436 L443 T444 F645 W819 V824 A825 V828 | L412-F440 HydrophobicContact CD2-CE1 3.96Å; D436-F440 WeakPolarHBondContact O-CB 3.46Å; D436-F440 PolarHBondContact O-N 2.72Å; F440-L443 PolarHBondContact O-N 3.34Å; F440-T444 WeakPolarHBondContact O-CB 3.45Å; F440-T444 PolarHBondContact O-N 3.12Å; F440-T444 PolarHBondContact O-OG1 2.89Å; F440-F645 HydrophobicContact CE1-CE2 4.46Å; F440-F645 HydrophobicContact CE2-CE2 4.3Å; F440-F645 HydrophobicContact CE2-CZ 4.27Å; F440-F645 HydrophobicContact CZ-CE2 4.09Å; F440-F645 AromaticContact CZ-CZ 3.89Å; F440-F645 HydrophobicContact CZ-CZ 3.89Å; F440-W819 WeakPolarHBondContact CA-O 3.13Å; F440-W819 HydrophobicContact CB-CE3 3.9Å; F440-W819 HydrophobicContact CD1-CE3 4.4Å; F440-W819 HydrophobicContact CD1-CZ3 4.45Å; F440-W819 HydrophobicContact CD2-CE3 4.3Å; F440-W819 AromaticContact CG-CE3 3.95Å; F440-W819 HydrophobicContact CG-CE3 3.95Å; F440-W819 HydrophobicContact CG-CZ3 4.44Å; F440-V824 HydrophobicContact CE2-CG1 4.22Å; F440-A825 HydrophobicContact CE2-CB 4.24Å; F440-V828 HydrophobicContact CZ-CG2 4.47Å |
| 441 | R | 85.3 | Confident | 76 | Confident | 104 Ų | 104 | 50.3 Ų | 50.3 | 39% | 0.392 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.4 | -45.8 | 175.1 | 175.6 | 176.3 | 174.7 | -166.8 | -6.6 | 111.4 | V437 A439 L443 T444 L445 V461 | V437-R441 WeakPolarHBondContact O-CB 3.2Å; V437-R441 PolarHBondContact O-N 3.02Å; A439-R441 PolarHBondContact O-N 2.9Å; R441-L443 VanDerWaalsContact C-N 3.32Å; R441-T444 PolarHBondContact O-N 3.19Å; R441-L445 HydrophobicContact CG-CD1 4.09Å; R441-L445 VanDerWaalsContact O-CG 3.3Å; R441-L445 WeakPolarHBondContact O-CG 3.35Å; R441-L445 PolarHBondContact O-N 3.22Å; R441-V461 HydrophobicContact CB-CB 4.18Å; R441-V461 HydrophobicContact CB-CG1 4.23Å; R441-V461 HydrophobicContact CB-CG2 4.5Å; R441-V461 HydrophobicContact CG-CB 3.95Å; R441-V461 HydrophobicContact CG-CG2 4.24Å |
| 442 | W | 78.7 | Confident | 75.1 | Confident | 108 Ų | 108 | 46.6 Ų | 46.6 | 41% | 0.409 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.5 | -47.3 | 176.8 | 178 | 88.3 | 0 | 0 | 0 | 110.6 | L389 R438 A439 T444 L445 H446 | L389-W442 HydrophobicContact CD2-CZ2 4.18Å; R438-W442 WeakPolarHBondContact O-CB 3.15Å; R438-W442 PolarHBondContact O-N 3.35Å; A439-W442 PolarHBondContact O-N 3.03Å; W442-T444 PolarHBondContact O-N 2.95Å; W442-L445 PolarHBondContact O-N 3.21Å; W442-H446 HydrophobicContact CE3-CB 4.43Å; W442-H446 HydrophobicContact CH2-CB 4.2Å; W442-H446 AromaticContact CH2-CG 3.91Å; W442-H446 HydrophobicContact CZ2-CB 4.32Å; W442-H446 HydrophobicContact CZ3-CB 4.26Å; W442-H446 WeakPolarHBondContact O-CB 3.3Å; W442-H446 PolarHBondContact O-N 3.19Å |
| 443 | L | 80 | Confident | 74 | Confident | 10 Ų | 10 | 46.2 Ų | 46.2 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.6 | -41.6 | -179.1 | -174.8 | 63.3 | 0 | 0 | 0 | 112.5 | A439 F440 R441 L445 H446 V447 E820 S821 C822 A825 | A439-L443 WeakPolarHBondContact O-CB 3.39Å; A439-L443 PolarHBondContact O-N 3.22Å; F440-L443 PolarHBondContact O-N 3.34Å; R441-L443 VanDerWaalsContact C-N 3.32Å; L443-L445 VanDerWaalsContact C-N 3.34Å; L443-L445 PolarHBondContact O-N 3.4Å; L443-H446 PolarHBondContact O-N 3.14Å; L443-V447 HydrophobicContact CD1-CG2 4.31Å; L443-V447 WeakPolarHBondContact O-CB 3.37Å; L443-V447 VanDerWaalsContact O-CG2 3.3Å; L443-V447 WeakPolarHBondContact O-CG2 3.5Å; L443-V447 PolarHBondContact O-N 3.25Å; L443-E820 WeakPolarHBondContact CD2-O 3.15Å; L443-S821 VanDerWaalsContact CD2-C 3.43Å; L443-S821 WeakPolarHBondContact CD2-O 3.45Å; L443-C822 HydrophobicContact CD1-CB 4.32Å; L443-C822 VanDerWaalsContact CD1-SG 3.58Å; L443-A825 HydrophobicContact CB-CB 4.45Å; L443-A825 HydrophobicContact CD2-CB 3.81Å; L443-A825 HydrophobicContact CG-CB 3.72Å |
| 444 | T | 79.2 | Confident | 72.4 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 174.5 | -58.7 | 0 | 0 | 0 | 0 | 110.8 | F440 R441 W442 D448 L829 | F440-T444 WeakPolarHBondContact O-CB 3.45Å; F440-T444 PolarHBondContact O-N 3.12Å; F440-T444 PolarHBondContact O-OG1 2.89Å; R441-T444 PolarHBondContact O-N 3.19Å; W442-T444 PolarHBondContact O-N 2.95Å; T444-D448 VanDerWaalsContact O-CB 3.24Å; T444-D448 WeakPolarHBondContact O-CB 3.5Å; T444-D448 PolarHBondContact O-N 3.02Å; T444-L829 HydrophobicContact CG2-CD1 4.18Å; T444-L829 HydrophobicContact CG2-CD2 3.52Å; T444-L829 HydrophobicContact CG2-CG 3.92Å; T444-L829 VanDerWaalsContact O-CD1 3.29Å; T444-L829 WeakPolarHBondContact O-CD1 3.16Å |
| 445 | L | 76.8 | Confident | 70.9 | Confident | 58 Ų | 58 | 57.4 Ų | 57.4 | 30% | 0.304 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -69.1 | -37.7 | 177.9 | -68.1 | 172.5 | 0 | 0 | 0 | 112.4 | R441 W442 L443 D448 A449 | R441-L445 HydrophobicContact CG-CD1 4.09Å; R441-L445 VanDerWaalsContact O-CG 3.3Å; R441-L445 WeakPolarHBondContact O-CG 3.35Å; R441-L445 PolarHBondContact O-N 3.22Å; W442-L445 PolarHBondContact O-N 3.21Å; L443-L445 VanDerWaalsContact C-N 3.34Å; L443-L445 PolarHBondContact O-N 3.4Å; L445-D448 PolarHBondContact O-N 2.93Å; L445-A449 WeakPolarHBondContact O-CB 3.33Å; L445-A449 PolarHBondContact O-N 3.14Å |
| 446 | H | 71.6 | Confident | 69.6 | Low | 57 Ų | 57 | 59 Ų | 59 | 26% | 0.264 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 176.6 | 177.9 | 72.7 | 0 | 0 | 0 | 111.5 | W442 L443 A449 H450 D916 | W442-H446 HydrophobicContact CE3-CB 4.43Å; W442-H446 HydrophobicContact CH2-CB 4.2Å; W442-H446 AromaticContact CH2-CG 3.91Å; W442-H446 HydrophobicContact CZ2-CB 4.32Å; W442-H446 HydrophobicContact CZ3-CB 4.26Å; W442-H446 WeakPolarHBondContact O-CB 3.3Å; W442-H446 PolarHBondContact O-N 3.19Å; L443-H446 PolarHBondContact O-N 3.14Å; H446-A449 PolarHBondContact O-N 3.28Å; H446-H450 PolarHBondContact O-N 3.32Å; H446-D916 IonicContact CE1-OD1 2.72Å |
| 447 | V | 71.3 | Confident | 68.4 | Low | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.8 | -38.6 | 176.3 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | L443 H450 F451 Y706 A825 A826 L829 | L443-V447 HydrophobicContact CD1-CG2 4.31Å; L443-V447 WeakPolarHBondContact O-CB 3.37Å; L443-V447 VanDerWaalsContact O-CG2 3.3Å; L443-V447 WeakPolarHBondContact O-CG2 3.5Å; L443-V447 PolarHBondContact O-N 3.25Å; V447-H450 PolarHBondContact O-N 2.73Å; V447-F451 WeakPolarHBondContact O-CB 3.48Å; V447-F451 PolarHBondContact O-N 2.96Å; V447-Y706 HydrophobicContact CG1-CD2 4.23Å; V447-Y706 HydrophobicContact CG1-CE2 3.61Å; V447-Y706 HydrophobicContact CG2-CE1 4.45Å; V447-Y706 HydrophobicContact CG2-CE2 4.48Å; V447-A825 HydrophobicContact CG2-CB 4.45Å; V447-A826 HydrophobicContact CG1-CB 3.84Å; V447-L829 HydrophobicContact CB-CD1 3.6Å; V447-L829 HydrophobicContact CG1-CD1 3.52Å |
| 448 | D | 71.3 | Confident | 67.6 | Low | 4 Ų | 4 | 62.8 Ų | 62.8 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 175.7 | -173.7 | 42.4 | 0 | 0 | 0 | 111.5 | T444 L445 H450 F451 L452 L829 L833 | T444-D448 VanDerWaalsContact O-CB 3.24Å; T444-D448 WeakPolarHBondContact O-CB 3.5Å; T444-D448 PolarHBondContact O-N 3.02Å; L445-D448 PolarHBondContact O-N 2.93Å; D448-H450 VanDerWaalsContact C-N 3.26Å; D448-H450 PolarHBondContact O-N 3.1Å; D448-F451 PolarHBondContact O-N 3.14Å; D448-L452 PolarHBondContact O-N 3.42Å; D448-L829 HydrophobicContact CB-CD1 4.24Å; D448-L829 HydrophobicContact CB-CD2 4.26Å; D448-L833 WeakPolarHBondContact OD1-CD1 3.3Å |
| 449 | A | 65.8 | Low | 67.6 | Low | 65 Ų | 65 | 56.8 Ų | 56.8 | 54% | 0.537 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57 | -39.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L445 H446 | L445-A449 WeakPolarHBondContact O-CB 3.33Å; L445-A449 PolarHBondContact O-N 3.14Å; H446-A449 PolarHBondContact O-N 3.28Å |
| 450 | H | 61.3 | Low | 68.1 | Low | 89 Ų | 89 | 55.4 Ų | 55.4 | 41% | 0.412 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -75.7 | -41 | 177.6 | -171.2 | -86.2 | 0 | 0 | 0 | 113 | H446 V447 D448 Y706 | H446-H450 PolarHBondContact O-N 3.32Å; V447-H450 PolarHBondContact O-N 2.73Å; D448-H450 VanDerWaalsContact C-N 3.26Å; D448-H450 PolarHBondContact O-N 3.1Å; H450-Y706 WeakPolarHBondContact CB-OH 3.24Å; H450-Y706 VanDerWaalsContact CG-OH 3.25Å; H450-Y706 PolarHBondContact ND1-OH 2.86Å |
| 451 | F | 56.2 | Low | 68.2 | Low | 22 Ų | 22 | 55.7 Ų | 55.7 | 10% | 0.096 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.8 | -38.9 | -175.3 | -162.8 | -90.1 | 0 | 0 | 0 | 112 | V447 D448 P710 L711 R830 | V447-F451 WeakPolarHBondContact O-CB 3.48Å; V447-F451 PolarHBondContact O-N 2.96Å; D448-F451 PolarHBondContact O-N 3.14Å; F451-P710 WeakPolarHBondContact CD2-O 3.46Å; F451-P710 WeakPolarHBondContact CE2-O 3.47Å; F451-L711 HydrophobicContact CD1-CD2 4.23Å; F451-L711 HydrophobicContact CD2-CD2 3.73Å; F451-L711 HydrophobicContact CE1-CD2 3.91Å; F451-L711 HydrophobicContact CE2-CB 4.39Å; F451-L711 HydrophobicContact CE2-CD2 3.46Å; F451-L711 VanDerWaalsContact CE2-CD2 3.46Å; F451-L711 HydrophobicContact CE2-CG 4.44Å; F451-L711 HydrophobicContact CG-CD2 4.09Å; F451-L711 HydrophobicContact CZ-CB 4.48Å; F451-L711 HydrophobicContact CZ-CD2 3.48Å; F451-L711 VanDerWaalsContact CZ-CD2 3.48Å; F451-R830 HydrophobicContact CE1-CG 4.43Å; F451-R830 HydrophobicContact CE2-CG 3.46Å; F451-R830 VanDerWaalsContact CE2-CG 3.46Å; F451-R830 HydrophobicContact CZ-CG 3.48Å; F451-R830 VanDerWaalsContact CZ-CG 3.48Å |
| 452 | L | 51.4 | Low | 68.6 | Low | 37 Ų | 37 | 53.5 Ų | 53.5 | 19% | 0.194 | 26% | 0.26 | C | S | . | . | trans | -135.6 | 65.6 | -172.8 | -74.7 | 153.4 | 0 | 0 | 0 | 112.1 | D448 K454 R455 L833 | D448-L452 PolarHBondContact O-N 3.42Å; L452-K454 PolarHBondContact O-N 3.3Å; L452-R455 HydrophobicContact CB-CB 4.09Å; L452-R455 HydrophobicContact CD2-CG 4.42Å; L452-R455 CarbonylContact O-C 3.55Å; L452-R455 PolarHBondContact O-N 3.18Å; L452-L833 HydrophobicContact CD1-CB 4.03Å; L452-L833 HydrophobicContact CD1-CD1 3.39Å; L452-L833 HydrophobicContact CD1-CG 4.28Å | ||
| 453 | A | 50.4 | Low | 69.3 | Low | 56 Ų | 56 | 50.2 Ų | 50.2 | 46% | 0.463 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -20.6 | 170 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 454 | K | 48.4 | Very low | 69.9 | Low | 178 Ų | 178 | 49.7 Ų | 49.7 | 77% | 0.774 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | -12.9 | 175.3 | -68.4 | -172.8 | 178.2 | -179.3 | 0 | 115.4 | L452 E844 | L452-K454 PolarHBondContact O-N 3.3Å; K454-E844 IonicContact NZ-OE2 3.43Å; K454-E844 PolarHBondContact NZ-OE2 2.92Å |
| 455 | R | 49.5 | Very low | 70.5 | Confident | 152 Ų | 152 | 52.4 Ų | 52.4 | 57% | 0.574 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -127.2 | 67 | 177 | -63.1 | -173.5 | 179 | -179.9 | -1.5 | 109.8 | L452 H457 | L452-R455 HydrophobicContact CB-CB 4.09Å; L452-R455 HydrophobicContact CD2-CG 4.42Å; L452-R455 CarbonylContact O-C 3.55Å; L452-R455 PolarHBondContact O-N 3.18Å; R455-H457 PolarHBondContact O-N 3.39Å |
| 456 | Q | 50.3 | Low | 71.1 | Confident | 84 Ų | 84 | 49.7 Ų | 49.7 | 39% | 0.393 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 129.6 | 173.4 | -74.2 | -177.7 | -2 | 0 | 0 | 110.6 | ||
| 457 | H | 57 | Low | 71.9 | Confident | 110 Ų | 110 | 47.8 Ų | 47.8 | 51% | 0.509 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 45 | 162.4 | -52.3 | 102.8 | 0 | 0 | 0 | 117.5 | L408 R455 | L408-H457 WeakPolarHBondContact CD2-O 3.39Å; R455-H457 PolarHBondContact O-N 3.39Å |
| 458 | A | 69.6 | Low | 72.6 | Confident | 11 Ų | 11 | 48.2 Ų | 48.2 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | trans | -82.6 | -13.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T409 K410 L833 | T409-A458 PolarHBondContact N-O 2.98Å; T409-A458 PolarHBondContact OG1-O 3.02Å; K410-A458 PolarHBondContact N-O 3.16Å; A458-L833 HydrophobicContact CB-CD2 4.12Å | ||
| 459 | I | 82.3 | Confident | 73.2 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 5% | 0.046 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132 | -168.1 | -46.1 | -172.8 | 0 | 0 | 0 | 112.5 | K410 L412 L829 L832 L833 | K410-I459 HydrophobicContact CB-CB 4.5Å; K410-I459 HydrophobicContact CB-CG1 4.09Å; K410-I459 HydrophobicContact CB-CG2 4.31Å; K410-I459 HydrophobicContact CG-CG1 4.46Å; K410-I459 WeakPolarHBondContact O-CA 3.37Å; L412-I459 HydrophobicContact CB-CG2 4.44Å; I459-L829 HydrophobicContact CD1-CD2 3.31Å; I459-L832 HydrophobicContact CD1-CB 4.36Å; I459-L832 HydrophobicContact CD1-CD1 4.05Å; I459-L833 HydrophobicContact CD1-CD1 4Å; I459-L833 HydrophobicContact CD1-CD2 3.82Å; I459-L833 HydrophobicContact CD1-CG 3.9Å; I459-L833 HydrophobicContact CG1-CD2 3.93Å |
| 460 | A | 86.4 | Confident | 74.3 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 7% | 0.066 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 136.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L408 K410 L411 L412 F531 | L408-A460 HydrophobicContact CD1-CB 4.28Å; L408-A460 HydrophobicContact CD2-CB 4.21Å; K410-A460 PolarHBondContact O-N 2.88Å; L411-A460 CarbonylContact C-O 3.39Å; L411-A460 WeakPolarHBondContact CA-O 3.32Å; L411-A460 HydrophobicContact CD1-CB 3.85Å; L412-A460 PolarHBondContact N-O 2.83Å; A460-F531 HydrophobicContact CB-CD2 4.48Å; A460-F531 HydrophobicContact CB-CE2 3.6Å; A460-F531 HydrophobicContact CB-CZ 3.89Å |
| 461 | V | 90.4 | Very high | 75.3 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.03 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 133.2 | 173.4 | -174.4 | 0 | 0 | 0 | 0 | 109 | L412 V414 V437 R441 | L412-V461 HydrophobicContact CB-CG2 4.37Å; L412-V461 HydrophobicContact CD2-CG2 4.43Å; L412-V461 CarbonylContact O-C 3.45Å; L412-V461 WeakPolarHBondContact O-CA 3.33Å; V414-V461 HydrophobicContact CG2-CG1 3.47Å; V414-V461 VanDerWaalsContact CG2-CG1 3.47Å; V437-V461 HydrophobicContact CG1-CG1 4.39Å; R441-V461 HydrophobicContact CB-CB 4.18Å; R441-V461 HydrophobicContact CB-CG1 4.23Å; R441-V461 HydrophobicContact CB-CG2 4.5Å; R441-V461 HydrophobicContact CG-CB 3.95Å; R441-V461 HydrophobicContact CG-CG2 4.24Å |
| 462 | R | 92 | Very high | 76.5 | Confident | 58 Ų | 58 | 43.6 Ų | 43.6 | 22% | 0.219 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 140 | 177.5 | -68.2 | -67.1 | -178.6 | -79.6 | -0.9 | 111.3 | L411 L412 L413 V414 V527 F531 | L411-R462 HydrophobicContact CD1-CG 4.08Å; L412-R462 PolarHBondContact O-N 2.82Å; L413-R462 WeakPolarHBondContact CA-O 3.26Å; L413-R462 HydrophobicContact CD2-CB 3.9Å; V414-R462 PolarHBondContact N-O 2.96Å; R462-V527 HydrophobicContact CB-CG1 3.65Å; R462-V527 HydrophobicContact CG-CG1 4.31Å; R462-F531 HydrophobicContact CG-CD2 4.48Å |
| 463 | L | 93.6 | Very high | 78.1 | Confident | 39 Ų | 39 | 42.2 Ų | 42.2 | 20% | 0.204 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 130.8 | 177.1 | 169.3 | 62.4 | 0 | 0 | 0 | 110.2 | H416 E434 V437 V527 | H416-L463 HydrophobicContact CB-CD1 3.58Å; E434-L463 HydrophobicContact CG-CD2 3.93Å; V437-L463 HydrophobicContact CG1-CB 4.17Å; V437-L463 HydrophobicContact CG2-CB 4.43Å; V437-L463 HydrophobicContact CG2-CD1 3.69Å; V437-L463 HydrophobicContact CG2-CG 4.49Å; L463-V527 WeakPolarHBondContact O-CG2 3.41Å |
| 464 | V | 93.9 | Very high | 79.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 101.6 | 163.8 | -179.8 | 0 | 0 | 0 | 0 | 106.8 | L413 V414 F415 H416 C466 A523 A524 V527 | L413-V464 HydrophobicContact CB-CG2 4.12Å; V414-V464 PolarHBondContact O-N 3.29Å; F415-V464 WeakPolarHBondContact CA-O 3.44Å; F415-V464 HydrophobicContact CD1-CG1 4.24Å; F415-V464 HydrophobicContact CD2-CB 3.97Å; F415-V464 HydrophobicContact CD2-CG1 4.28Å; F415-V464 HydrophobicContact CD2-CG2 4.15Å; F415-V464 HydrophobicContact CE1-CG1 4.22Å; F415-V464 HydrophobicContact CE2-CB 4.21Å; F415-V464 HydrophobicContact CE2-CG1 4.25Å; F415-V464 HydrophobicContact CE2-CG2 4.03Å; F415-V464 HydrophobicContact CG-CB 4.25Å; F415-V464 HydrophobicContact CG-CG1 4.29Å; F415-V464 HydrophobicContact CZ-CG1 4.24Å; H416-V464 PolarHBondContact N-O 2.95Å; V464-C466 PolarHBondContact O-N 3.13Å; V464-A523 HydrophobicContact CG1-CB 4.05Å; V464-A524 HydrophobicContact CG1-CB 3.99Å; V464-A524 HydrophobicContact CG2-CB 4.17Å; V464-V527 HydrophobicContact CG2-CB 4.33Å; V464-V527 HydrophobicContact CG2-CG1 4.31Å; V464-V527 HydrophobicContact CG2-CG2 4.48Å |
| 465 | P | 90.6 | Very high | 81.3 | Confident | 58 Ų | 58 | 35.7 Ų | 35.7 | 38% | 0.377 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 125.1 | -179.5 | 29.4 | -32.3 | 0 | 0 | 0 | 109.9 | ||
| 466 | C | 90.5 | Very high | 82.9 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | trans | -109.4 | 145.7 | 173.2 | -58 | 0 | 0 | 0 | 0 | 109.6 | H416 G417 K433 V464 L555 | H416-C466 PolarHBondContact O-N 3.46Å; G417-C466 WeakPolarHBondContact CA-O 3.37Å; K433-C466 PolarHBondContact NZ-O 2.86Å; V464-C466 PolarHBondContact O-N 3.13Å; C466-L555 HydrophobicContact CB-CD1 3.75Å | ||
| 467 | A | 87.5 | Confident | 84.4 | Confident | 17 Ų | 17 | 30 Ų | 30 | 14% | 0.14 | 16% | 0.157 | C | C | . | . | trans | -74.5 | 148.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D426 V469 E516 | D426-A467 WeakPolarHBondContact OD1-CA 2.99Å; D426-A467 VanDerWaalsContact OD2-CB 3.32Å; D426-A467 WeakPolarHBondContact OD2-CB 3.46Å; A467-V469 PolarHBondContact O-N 3.03Å; A467-E516 HydrophobicContact CB-CG 4Å; A467-E516 WeakPolarHBondContact CB-OE1 3.39Å; A467-E516 WeakPolarHBondContact CB-OE2 3.37Å; A467-E516 PolarHBondContact N-OE1 2.85Å | ||
| 468 | N | 86.7 | Confident | 85.3 | Confident | 8 Ų | 8 | 27.8 Ų | 27.8 | 4% | 0.043 | 15% | 0.147 | C | C | . | . | trans | -78.4 | 93 | 175.4 | -167.4 | -9.7 | 0 | 0 | 0 | 111.8 | G417 H419 D422 D426 F470 | G417-N468 WeakPolarHBondContact O-CB 3.46Å; H419-N468 PolarHBondContact O-ND2 3.34Å; D422-N468 PolarHBondContact O-ND2 2.97Å; D426-N468 PolarHBondContact OD1-N 2.88Å; N468-F470 PolarHBondContact O-N 3.31Å; N468-F470 VanDerWaalsContact OD1-CB 3.27Å; N468-F470 WeakPolarHBondContact OD1-CB 3.4Å; N468-F470 PolarHBondContact OD1-N 3.1Å | ||
| 469 | V | 84.5 | Confident | 85.6 | Confident | 8 Ų | 8 | 32.6 Ų | 32.6 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -12.1 | 176.4 | -66.1 | 0 | 0 | 0 | 0 | 114.3 | A467 Y513 E516 V551 | A467-V469 PolarHBondContact O-N 3.03Å; V469-Y513 HydrophobicContact CB-CD2 4.44Å; V469-Y513 HydrophobicContact CG2-CD2 3.83Å; V469-Y513 HydrophobicContact CG2-CE2 4.24Å; V469-E516 HydrophobicContact CG1-CB 3.36Å; V469-E516 HydrophobicContact CG1-CG 3.57Å; V469-V551 HydrophobicContact CG2-CG1 4.12Å |
| 470 | F | 86.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -17.4 | -175.6 | -65.6 | -11.2 | 0 | 0 | 0 | 113.6 | I420 N468 D472 S473 L474 V503 P504 S507 V551 L554 | I420-F470 HydrophobicContact CB-CD2 4.4Å; I420-F470 HydrophobicContact CG1-CD2 4.23Å; I420-F470 HydrophobicContact CG1-CE2 4.22Å; I420-F470 HydrophobicContact CG2-CD2 4.27Å; N468-F470 PolarHBondContact O-N 3.31Å; N468-F470 VanDerWaalsContact OD1-CB 3.27Å; N468-F470 WeakPolarHBondContact OD1-CB 3.4Å; N468-F470 PolarHBondContact OD1-N 3.1Å; F470-D472 VanDerWaalsContact C-N 3.33Å; F470-D472 PolarHBondContact O-N 3Å; F470-S473 PolarHBondContact O-N 2.8Å; F470-L474 WeakPolarHBondContact O-CB 3.44Å; F470-L474 PolarHBondContact O-N 2.77Å; F470-V503 HydrophobicContact CB-CG1 3.46Å; F470-V503 VanDerWaalsContact CB-CG1 3.46Å; F470-V503 HydrophobicContact CD1-CG1 4.44Å; F470-V503 HydrophobicContact CD2-CG1 4.3Å; F470-V503 HydrophobicContact CG-CG1 3.82Å; F470-P504 HydrophobicContact CD2-CG 4.4Å; F470-P504 HydrophobicContact CE1-CB 4.04Å; F470-P504 HydrophobicContact CE1-CG 4.49Å; F470-P504 HydrophobicContact CE2-CB 4.17Å; F470-P504 HydrophobicContact CE2-CG 3.85Å; F470-P504 HydrophobicContact CZ-CB 3.69Å; F470-P504 HydrophobicContact CZ-CG 3.91Å; F470-S507 VanDerWaalsContact CD1-CB 3.45Å; F470-S507 WeakPolarHBondContact CD1-OG 3.12Å; F470-V551 HydrophobicContact CD2-CG2 3.37Å; F470-V551 HydrophobicContact CE2-CB 4.19Å; F470-V551 HydrophobicContact CE2-CG2 3.41Å; F470-V551 VanDerWaalsContact CE2-CG2 3.41Å; F470-V551 HydrophobicContact CG-CG2 4.05Å; F470-V551 HydrophobicContact CZ-CG2 4.13Å; F470-L554 HydrophobicContact CE1-CD2 4.16Å; F470-L554 HydrophobicContact CZ-CD2 3.84Å |
| 471 | C | 82.3 | Confident | 84.9 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 7% | 0.068 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -53.4 | -43.4 | -176.8 | -177.9 | 0 | 0 | 0 | 0 | 113.4 | A423 L474 K475 | A423-C471 PolarHBondContact O-SG 3.15Å; C471-L474 PolarHBondContact O-N 3.03Å; C471-K475 WeakPolarHBondContact O-CG 3.41Å; C471-K475 PolarHBondContact O-N 3.11Å; C471-K475 VanDerWaalsContact SG-CE 3.53Å; C471-K475 PolarHBondContact SG-NZ 3.33Å |
| 472 | D | 82.4 | Confident | 83.8 | Confident | 65 Ų | 65 | 40.6 Ų | 40.6 | 35% | 0.348 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -71.3 | -43.2 | -177.2 | -62.1 | -28.5 | 0 | 0 | 0 | 111.7 | F470 L474 K475 L476 K512 | F470-D472 VanDerWaalsContact C-N 3.33Å; F470-D472 PolarHBondContact O-N 3Å; D472-L474 VanDerWaalsContact C-N 3.31Å; D472-L474 PolarHBondContact O-N 3.36Å; D472-K475 PolarHBondContact O-N 3.16Å; D472-L476 WeakPolarHBondContact O-CG 3.44Å; D472-L476 PolarHBondContact O-N 3.41Å; D472-K512 IonicContact OD1-NZ 3.72Å; D472-K512 VanDerWaalsContact OD2-CD 3.29Å; D472-K512 WeakPolarHBondContact OD2-CD 3.42Å; D472-K512 IonicContact OD2-NZ 2.69Å; D472-K512 PolarHBondContact OD2-NZ 3.28Å |
| 473 | S | 85.9 | Confident | 82.5 | Confident | 9 Ų | 9 | 41.5 Ų | 41.5 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.4 | -38.6 | 175.7 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | F470 L476 L477 S507 | F470-S473 PolarHBondContact O-N 2.8Å; S473-L476 PolarHBondContact O-N 3.43Å; S473-L477 WeakPolarHBondContact O-CB 3.22Å; S473-L477 WeakPolarHBondContact O-CG 3.5Å; S473-L477 PolarHBondContact O-N 3.1Å; S473-S507 VanDerWaalsContact CB-OG 3.23Å; S473-S507 WeakPolarHBondContact CB-OG 3.48Å; S473-S507 PolarHBondContact OG-N 2.97Å; S473-S507 PolarHBondContact OG-OG 3.38Å |
| 474 | L | 83.8 | Confident | 80.7 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.9 | -46.7 | 175.4 | -177.2 | 66.3 | 0 | 0 | 0 | 111.5 | L421 A423 F470 C471 D472 L476 L477 Q478 W496 V503 | L421-L474 HydrophobicContact CD2-CD1 3.8Å; L421-L474 WeakPolarHBondContact O-CD2 3.32Å; A423-L474 HydrophobicContact CB-CD2 4.12Å; F470-L474 WeakPolarHBondContact O-CB 3.44Å; F470-L474 PolarHBondContact O-N 2.77Å; C471-L474 PolarHBondContact O-N 3.03Å; D472-L474 VanDerWaalsContact C-N 3.31Å; D472-L474 PolarHBondContact O-N 3.36Å; L474-L476 VanDerWaalsContact C-N 3.33Å; L474-L476 PolarHBondContact O-N 3.47Å; L474-L477 PolarHBondContact O-N 2.98Å; L474-Q478 WeakPolarHBondContact O-CG 3.23Å; L474-Q478 PolarHBondContact O-N 3.07Å; L474-W496 HydrophobicContact CD1-CH2 3.81Å; L474-W496 HydrophobicContact CD1-CZ3 3.7Å; L474-V503 HydrophobicContact CB-CG2 4.44Å; L474-V503 HydrophobicContact CD1-CG2 4.05Å |
| 475 | K | 81.3 | Confident | 78.9 | Confident | 95 Ų | 95 | 53.4 Ų | 53.4 | 41% | 0.413 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.7 | -40.7 | 175.5 | -74.5 | 170.1 | -179.6 | 165.8 | 0 | 112.2 | C471 D472 Q478 N479 | C471-K475 WeakPolarHBondContact O-CG 3.41Å; C471-K475 PolarHBondContact O-N 3.11Å; C471-K475 VanDerWaalsContact SG-CE 3.53Å; C471-K475 PolarHBondContact SG-NZ 3.33Å; D472-K475 PolarHBondContact O-N 3.16Å; K475-Q478 PolarHBondContact O-N 3.23Å; K475-N479 VanDerWaalsContact O-CG 3.27Å; K475-N479 PolarHBondContact O-N 3.02Å; K475-N479 VanDerWaalsContact O-N 3.11Å; K475-N479 PolarHBondContact O-ND2 2.86Å |
| 476 | L | 83.3 | Confident | 76.9 | Confident | 103 Ų | 103 | 52.9 Ų | 52.9 | 54% | 0.539 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 175.3 | -71.7 | 172.4 | 0 | 0 | 0 | 111.8 | D472 S473 L474 N479 V480 | D472-L476 WeakPolarHBondContact O-CG 3.44Å; D472-L476 PolarHBondContact O-N 3.41Å; S473-L476 PolarHBondContact O-N 3.43Å; L474-L476 VanDerWaalsContact C-N 3.33Å; L474-L476 PolarHBondContact O-N 3.47Å; L476-N479 PolarHBondContact O-N 2.72Å; L476-V480 PolarHBondContact O-N 2.99Å |
| 477 | L | 81.8 | Confident | 75 | Confident | 13 Ų | 13 | 62.2 Ų | 62.2 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.5 | -36.6 | 177.1 | -77.3 | 171.6 | 0 | 0 | 0 | 112.8 | S473 L474 N479 V480 S481 F495 L502 V503 M506 | S473-L477 WeakPolarHBondContact O-CB 3.22Å; S473-L477 WeakPolarHBondContact O-CG 3.5Å; S473-L477 PolarHBondContact O-N 3.1Å; L474-L477 PolarHBondContact O-N 2.98Å; L477-N479 VanDerWaalsContact C-N 3.34Å; L477-V480 HydrophobicContact CD2-CG2 4.33Å; L477-V480 WeakPolarHBondContact O-CG2 3.41Å; L477-V480 PolarHBondContact O-N 3.11Å; L477-S481 PolarHBondContact O-N 3.2Å; L477-F495 WeakPolarHBondContact O-CE1 3.48Å; L477-F495 WeakPolarHBondContact O-CZ 3.37Å; L477-L502 HydrophobicContact CD1-CB 4.06Å; L477-V503 HydrophobicContact CD1-CB 4.49Å; L477-V503 HydrophobicContact CD1-CG2 3.53Å; L477-M506 HydrophobicContact CD1-SD 3.89Å; L477-M506 HydrophobicContact CD2-CE 4.49Å; L477-M506 HydrophobicContact CD2-SD 3.84Å; L477-M506 HydrophobicContact CG-CE 4.42Å; L477-M506 HydrophobicContact CG-SD 3.89Å |
| 478 | Q | 76.3 | Confident | 73.2 | Confident | 65 Ų | 65 | 64.4 Ų | 64.4 | 30% | 0.304 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.7 | -45.4 | 171.7 | -76.6 | 173.4 | -9.3 | 0 | 0 | 111.4 | L474 K475 V480 S481 W496 | L474-Q478 WeakPolarHBondContact O-CG 3.23Å; L474-Q478 PolarHBondContact O-N 3.07Å; K475-Q478 PolarHBondContact O-N 3.23Å; Q478-V480 PolarHBondContact O-N 2.89Å; Q478-S481 WeakPolarHBondContact O-CB 3.4Å; Q478-S481 PolarHBondContact O-N 3.25Å; Q478-W496 HydrophobicContact CB-CZ2 4.41Å; Q478-W496 HydrophobicContact CG-CH2 3.57Å; Q478-W496 HydrophobicContact CG-CZ2 3.51Å |
| 479 | N | 76.1 | Confident | 71.5 | Confident | 111 Ų | 111 | 69.5 Ų | 69.5 | 59% | 0.594 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -68.6 | -29.2 | -177.8 | -70.8 | -21.8 | 0 | 0 | 0 | 114 | K475 L476 L477 | K475-N479 VanDerWaalsContact O-CG 3.27Å; K475-N479 PolarHBondContact O-N 3.02Å; K475-N479 VanDerWaalsContact O-N 3.11Å; K475-N479 PolarHBondContact O-ND2 2.86Å; L476-N479 PolarHBondContact O-N 2.72Å; L477-N479 VanDerWaalsContact C-N 3.34Å |
| 480 | V | 78.9 | Confident | 70 | Confident | 102 Ų | 102 | 74 Ų | 74 | 62% | 0.618 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -91.2 | -1.7 | 177.9 | -59.6 | 0 | 0 | 0 | 0 | 113.2 | L476 L477 Q478 P482 F495 | L476-V480 PolarHBondContact O-N 2.99Å; L477-V480 HydrophobicContact CD2-CG2 4.33Å; L477-V480 WeakPolarHBondContact O-CG2 3.41Å; L477-V480 PolarHBondContact O-N 3.11Å; Q478-V480 PolarHBondContact O-N 2.89Å; V480-P482 WeakPolarHBondContact O-CD 3.39Å; V480-F495 HydrophobicContact CG2-CZ 4.49Å |
| 481 | S | 73.9 | Confident | 68.3 | Low | 11 Ų | 11 | 74.3 Ų | 74.3 | 8% | 0.077 | 39% | 0.392 | C | S | . | . | trans | -62.2 | 123.3 | 176.6 | -171.1 | 0 | 0 | 0 | 0 | 109.9 | L477 Q478 Y483 Y484 F495 | L477-S481 PolarHBondContact O-N 3.2Å; Q478-S481 WeakPolarHBondContact O-CB 3.4Å; Q478-S481 PolarHBondContact O-N 3.25Å; S481-Y483 PolarHBondContact O-N 2.93Å; S481-Y484 PolarHBondContact O-N 2.81Å; S481-Y484 VanDerWaalsContact O-N 3.12Å; S481-F495 WeakPolarHBondContact OG-CD1 3.45Å; S481-F495 WeakPolarHBondContact OG-CG 3.44Å | ||
| 482 | P | 67.7 | Low | 67.1 | Low | 77 Ų | 77 | 75.2 Ų | 75.2 | 50% | 0.5 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -9.9 | 178.1 | 27.4 | -32.9 | 0 | 0 | 0 | 112.4 | V480 | V480-P482 WeakPolarHBondContact O-CD 3.39Š|
| 483 | Y | 65 | Low | 65.8 | Low | 78 Ų | 78 | 77.1 Ų | 77.1 | 31% | 0.306 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 3.3 | -179.3 | -51.8 | -71.3 | 0 | 0 | 0 | 113.8 | S481 S485 S486 G491 A492 F495 | S481-Y483 PolarHBondContact O-N 2.93Å; Y483-S485 PolarHBondContact O-N 3.11Å; Y483-S486 WeakPolarHBondContact CA-OG 3.28Å; Y483-S486 WeakPolarHBondContact CD1-OG 3.06Å; Y483-G491 VanDerWaalsContact CD1-CA 3.42Å; Y483-G491 WeakPolarHBondContact CD2-O 3.47Å; Y483-G491 WeakPolarHBondContact CE2-O 3.49Å; Y483-A492 VanDerWaalsContact CG-N 3.35Å; Y483-F495 HydrophobicContact CD2-CB 3.81Å; Y483-F495 HydrophobicContact CE2-CB 4.04Å |
| 484 | Y | 56.3 | Low | 64.6 | Low | 175 Ų | 175 | 83.9 Ų | 83.9 | 69% | 0.686 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -63.7 | -31.5 | 174.1 | -165.5 | -94.5 | 0 | 0 | 0 | 111.9 | S481 | S481-Y484 PolarHBondContact O-N 2.81Å; S481-Y484 VanDerWaalsContact O-N 3.12Å |
| 485 | S | 54.9 | Low | 63.8 | Low | 113 Ų | 113 | 85 Ų | 85 | 79% | 0.79 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -102.6 | -16.1 | -179.5 | 60.8 | 0 | 0 | 0 | 0 | 115 | Y483 | Y483-S485 PolarHBondContact O-N 3.11Š|
| 486 | S | 49.2 | Very low | 63 | Low | 47 Ų | 47 | 82.3 Ų | 82.3 | 33% | 0.329 | 43% | 0.426 | S | S | . | . | trans | -97.5 | 131.6 | -177.1 | 57.3 | 0 | 0 | 0 | 0 | 111.3 | Y483 S488 | Y483-S486 WeakPolarHBondContact CA-OG 3.28Å; Y483-S486 WeakPolarHBondContact CD1-OG 3.06Å; S486-S488 PolarHBondContact O-N 3.3Å; S486-S488 PolarHBondContact OG-OG 3.14Å | ||
| 487 | Q | 50.8 | Low | 62 | Low | 199 Ų | 199 | 79.2 Ų | 79.2 | 93% | 0.93 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -66.3 | 2.5 | 176.7 | -71 | -178 | -10.4 | 0 | 0 | 113.6 | Q489 | Q487-Q489 PolarHBondContact O-N 3.35Å; Q487-Q489 VanDerWaalsContact O-N 3.14Å |
| 488 | S | 49.8 | Very low | 61.1 | Low | 63 Ų | 63 | 83.5 Ų | 83.5 | 44% | 0.441 | 43% | 0.433 | S | S | . | . | trans | -81.2 | 92 | 179.2 | 58.9 | 0 | 0 | 0 | 0 | 111.5 | S486 D490 G491 | S486-S488 PolarHBondContact O-N 3.3Å; S486-S488 PolarHBondContact OG-OG 3.14Å; S488-D490 PolarHBondContact O-N 2.99Å; S488-D490 VanDerWaalsContact O-N 3.16Å; S488-G491 PolarHBondContact O-N 3.48Å; S488-G491 VanDerWaalsContact O-N 3.12Å | ||
| 489 | Q | 49.4 | Very low | 60.8 | Low | 114 Ų | 114 | 80.4 Ų | 80.4 | 53% | 0.533 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.8 | -29.8 | -176.9 | -68.5 | -167 | 4.3 | 0 | 0 | 114.4 | Q487 G491 A492 K493 | Q487-Q489 PolarHBondContact O-N 3.35Å; Q487-Q489 VanDerWaalsContact O-N 3.14Å; Q489-G491 VanDerWaalsContact C-N 3.27Å; Q489-G491 PolarHBondContact O-N 3.47Å; Q489-A492 PolarHBondContact O-N 2.77Å; Q489-K493 PolarHBondContact O-N 2.78Å |
| 490 | D | 53.2 | Low | 60.7 | Low | 103 Ų | 103 | 75.3 Ų | 75.3 | 55% | 0.551 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -68.5 | -29.6 | 179.9 | -74.8 | -19.9 | 0 | 0 | 0 | 113.2 | S488 K493 K494 | S488-D490 PolarHBondContact O-N 2.99Å; S488-D490 VanDerWaalsContact O-N 3.16Å; D490-K493 IonicContact OD1-NZ 3.6Å; D490-K493 PolarHBondContact OD1-NZ 3.34Å; D490-K494 WeakPolarHBondContact O-CG 3.34Å; D490-K494 PolarHBondContact O-N 2.78Å; D490-K494 VanDerWaalsContact O-N 3.12Å |
| 491 | G | 52.8 | Low | 60.7 | Low | 6 Ų | 6 | 71.6 Ų | 71.6 | 6% | 0.062 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.4 | -47.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y483 S488 Q489 K493 K494 F495 | Y483-G491 VanDerWaalsContact CD1-CA 3.42Å; Y483-G491 WeakPolarHBondContact CD2-O 3.47Å; Y483-G491 WeakPolarHBondContact CE2-O 3.49Å; S488-G491 PolarHBondContact O-N 3.48Å; S488-G491 VanDerWaalsContact O-N 3.12Å; Q489-G491 VanDerWaalsContact C-N 3.27Å; Q489-G491 PolarHBondContact O-N 3.47Å; G491-K493 VanDerWaalsContact C-N 3.3Å; G491-K493 PolarHBondContact O-N 3.24Å; G491-K494 WeakPolarHBondContact O-CB 3.48Å; G491-K494 PolarHBondContact O-N 2.81Å; G491-F495 PolarHBondContact O-N 3.14Å |
| 492 | A | 55.5 | Low | 61.2 | Low | 30 Ų | 30 | 74.2 Ų | 74.2 | 25% | 0.248 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.5 | -42.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y483 Q489 K494 F495 W496 | Y483-A492 VanDerWaalsContact CG-N 3.35Å; Q489-A492 PolarHBondContact O-N 2.77Å; A492-K494 PolarHBondContact O-N 3.22Å; A492-F495 PolarHBondContact O-N 2.8Å; A492-W496 PolarHBondContact O-N 3.43Å |
| 493 | K | 54.9 | Low | 62.2 | Low | 105 Ų | 105 | 70.5 Ų | 70.5 | 46% | 0.457 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 173.5 | -66.7 | 174.6 | -164.6 | 154.9 | 0 | 112 | Q489 D490 G491 W496 A497 | Q489-K493 PolarHBondContact O-N 2.78Å; D490-K493 IonicContact OD1-NZ 3.6Å; D490-K493 PolarHBondContact OD1-NZ 3.34Å; G491-K493 VanDerWaalsContact C-N 3.3Å; G491-K493 PolarHBondContact O-N 3.24Å; K493-W496 PolarHBondContact O-N 3.06Å; K493-A497 PolarHBondContact O-N 2.89Å |
| 494 | K | 62.4 | Low | 63.4 | Low | 150 Ų | 150 | 66.8 Ų | 66.8 | 65% | 0.652 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65 | -38.2 | 178.1 | -72.8 | 177 | -177.9 | 178.8 | 0 | 112.6 | D490 G491 A492 A497 | D490-K494 WeakPolarHBondContact O-CG 3.34Å; D490-K494 PolarHBondContact O-N 2.78Å; D490-K494 VanDerWaalsContact O-N 3.12Å; G491-K494 WeakPolarHBondContact O-CB 3.48Å; G491-K494 PolarHBondContact O-N 2.81Å; A492-K494 PolarHBondContact O-N 3.22Å; K494-A497 WeakPolarHBondContact O-CB 3.28Å; K494-A497 PolarHBondContact O-N 2.98Å |
| 495 | F | 65.9 | Low | 64.9 | Low | 25 Ų | 25 | 59.8 Ų | 59.8 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.1 | -46 | 176.4 | -177.7 | -96.9 | 0 | 0 | 0 | 111.8 | L477 V480 S481 Y483 G491 A492 A497 F498 A499 | L477-F495 WeakPolarHBondContact O-CE1 3.48Å; L477-F495 WeakPolarHBondContact O-CZ 3.37Å; V480-F495 HydrophobicContact CG2-CZ 4.49Å; S481-F495 WeakPolarHBondContact OG-CD1 3.45Å; S481-F495 WeakPolarHBondContact OG-CG 3.44Å; Y483-F495 HydrophobicContact CD2-CB 3.81Å; Y483-F495 HydrophobicContact CE2-CB 4.04Å; G491-F495 PolarHBondContact O-N 3.14Å; A492-F495 PolarHBondContact O-N 2.8Å; F495-A497 PolarHBondContact O-N 2.93Å; F495-F498 HydrophobicContact CD2-CZ 4.16Å; F495-F498 HydrophobicContact CE2-CZ 4.43Å; F495-F498 WeakPolarHBondContact O-CD1 2.96Å; F495-F498 WeakPolarHBondContact O-CE1 3.44Å; F495-A499 HydrophobicContact CD1-CB 4.48Å; F495-A499 HydrophobicContact CE1-CB 4.31Å; F495-A499 WeakPolarHBondContact O-CB 3.46Å; F495-A499 PolarHBondContact O-N 2.77Å |
| 496 | W | 64.1 | Low | 66.5 | Low | 38 Ų | 38 | 58.2 Ų | 58.2 | 14% | 0.144 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -74.3 | -7.3 | 177.3 | -70.8 | 112.1 | 0 | 0 | 0 | 114.3 | L421 L474 Q478 A492 K493 F498 A499 P500 L808 | L421-W496 HydrophobicContact CD2-CE3 4.44Å; L421-W496 HydrophobicContact CD2-CZ3 4.29Å; L474-W496 HydrophobicContact CD1-CH2 3.81Å; L474-W496 HydrophobicContact CD1-CZ3 3.7Å; Q478-W496 HydrophobicContact CB-CZ2 4.41Å; Q478-W496 HydrophobicContact CG-CH2 3.57Å; Q478-W496 HydrophobicContact CG-CZ2 3.51Å; A492-W496 PolarHBondContact O-N 3.43Å; K493-W496 PolarHBondContact O-N 3.06Å; W496-F498 PolarHBondContact O-N 2.98Å; W496-A499 HydrophobicContact CD2-CB 4.36Å; W496-A499 HydrophobicContact CE3-CB 3.56Å; W496-A499 HydrophobicContact CZ3-CB 3.76Å; W496-P500 WeakPolarHBondContact O-CD 3.08Å; W496-L808 HydrophobicContact CB-CD2 3.35Å; W496-L808 HydrophobicContact CB-CG 4.48Å; W496-L808 HydrophobicContact CG-CD2 3.77Å |
| 497 | A | 63.7 | Low | 68.5 | Low | 38 Ų | 38 | 56 Ų | 56 | 31% | 0.314 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -30.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K493 K494 F495 F807 | K493-A497 PolarHBondContact O-N 2.89Å; K494-A497 WeakPolarHBondContact O-CB 3.28Å; K494-A497 PolarHBondContact O-N 2.98Å; F495-A497 PolarHBondContact O-N 2.93Å; A497-F807 VanDerWaalsContact CA-CE1 3.4Å; A497-F807 HydrophobicContact CB-CD1 4.48Å; A497-F807 HydrophobicContact CB-CE1 4.15Å; A497-F807 HydrophobicContact CB-CZ 4.4Å; A497-F807 WeakPolarHBondContact O-CE1 3.35Å; A497-F807 VanDerWaalsContact O-CZ 3.31Å; A497-F807 WeakPolarHBondContact O-CZ 3.45Å |
| 498 | F | 63.3 | Low | 70.3 | Confident | 104 Ų | 104 | 46.9 Ų | 46.9 | 46% | 0.456 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -18.6 | 179.6 | 67.2 | -89.2 | 0 | 0 | 0 | 113.5 | F495 W496 S501 L502 | F495-F498 HydrophobicContact CD2-CZ 4.16Å; F495-F498 HydrophobicContact CE2-CZ 4.43Å; F495-F498 WeakPolarHBondContact O-CD1 2.96Å; F495-F498 WeakPolarHBondContact O-CE1 3.44Å; W496-F498 PolarHBondContact O-N 2.98Å; F498-S501 WeakPolarHBondContact O-CB 3.28Å; F498-S501 PolarHBondContact O-N 2.88Å; F498-S501 PolarHBondContact O-OG 3.47Å; F498-L502 HydrophobicContact CD2-CD1 3.89Å; F498-L502 HydrophobicContact CE2-CD1 3.81Å |
| 499 | A | 68.9 | Low | 71.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.7 | -36.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | F495 W496 S501 L502 V503 | F495-A499 HydrophobicContact CD1-CB 4.48Å; F495-A499 HydrophobicContact CE1-CB 4.31Å; F495-A499 WeakPolarHBondContact O-CB 3.46Å; F495-A499 PolarHBondContact O-N 2.77Å; W496-A499 HydrophobicContact CD2-CB 4.36Å; W496-A499 HydrophobicContact CE3-CB 3.56Å; W496-A499 HydrophobicContact CZ3-CB 3.76Å; A499-S501 PolarHBondContact O-N 2.97Å; A499-S501 VanDerWaalsContact O-N 3.13Å; A499-L502 PolarHBondContact O-N 2.94Å; A499-V503 PolarHBondContact O-N 3.1Å |
| 500 | P | 74.1 | Confident | 73.6 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.019 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -54.9 | -34.5 | 177.7 | -23.3 | 30.5 | 0 | 0 | 0 | 112.4 | I420 L421 W496 L502 P504 | I420-P500 WeakPolarHBondContact CG2-O 3.49Å; L421-P500 HydrophobicContact CD1-CG 4.44Å; L421-P500 HydrophobicContact CD2-CB 4.2Å; L421-P500 HydrophobicContact CD2-CG 4.12Å; W496-P500 WeakPolarHBondContact O-CD 3.08Å; P500-L502 VanDerWaalsContact C-N 3.34Å; P500-L502 PolarHBondContact O-N 3.48Å; P500-P504 WeakPolarHBondContact O-CD 3.48Å |
| 501 | S | 78.1 | Confident | 75 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 18% | 0.175 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.2 | -26.1 | -179.4 | 80.3 | 0 | 0 | 0 | 0 | 114 | F498 A499 | F498-S501 WeakPolarHBondContact O-CB 3.28Å; F498-S501 PolarHBondContact O-N 2.88Å; F498-S501 PolarHBondContact O-OG 3.47Å; A499-S501 PolarHBondContact O-N 2.97Å; A499-S501 VanDerWaalsContact O-N 3.13Å |
| 502 | L | 84.9 | Confident | 76.6 | Confident | 65 Ų | 65 | 49.4 Ų | 49.4 | 34% | 0.34 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -81.1 | -29.6 | -180 | -67.6 | 175.8 | 0 | 0 | 0 | 112.7 | L477 F498 A499 P500 V505 M506 | L477-L502 HydrophobicContact CD1-CB 4.06Å; F498-L502 HydrophobicContact CD2-CD1 3.89Å; F498-L502 HydrophobicContact CE2-CD1 3.81Å; A499-L502 PolarHBondContact O-N 2.94Å; P500-L502 VanDerWaalsContact C-N 3.34Å; P500-L502 PolarHBondContact O-N 3.48Å; L502-V505 PolarHBondContact O-N 3.3Å; L502-M506 WeakPolarHBondContact O-CG 3.23Å; L502-M506 PolarHBondContact O-N 2.83Å |
| 503 | V | 88.7 | Confident | 78.2 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.5 | -50.3 | -175.5 | 171 | 0 | 0 | 0 | 0 | 111.6 | I420 F470 L474 L477 A499 V505 S507 | I420-V503 HydrophobicContact CG2-CB 3.87Å; I420-V503 HydrophobicContact CG2-CG1 3.93Å; I420-V503 HydrophobicContact CG2-CG2 4.46Å; F470-V503 HydrophobicContact CB-CG1 3.46Å; F470-V503 VanDerWaalsContact CB-CG1 3.46Å; F470-V503 HydrophobicContact CD1-CG1 4.44Å; F470-V503 HydrophobicContact CD2-CG1 4.3Å; F470-V503 HydrophobicContact CG-CG1 3.82Å; L474-V503 HydrophobicContact CB-CG2 4.44Å; L474-V503 HydrophobicContact CD1-CG2 4.05Å; L477-V503 HydrophobicContact CD1-CB 4.49Å; L477-V503 HydrophobicContact CD1-CG2 3.53Å; A499-V503 PolarHBondContact O-N 3.1Å; V503-V505 PolarHBondContact O-N 3.22Å; V503-S507 WeakPolarHBondContact O-CB 3.48Å; V503-S507 PolarHBondContact O-N 2.98Å; V503-S507 PolarHBondContact O-OG 3.07Å |
| 504 | P | 89.7 | Confident | 79.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 176.9 | -24.3 | 36 | 0 | 0 | 0 | 112.7 | I420 F470 P500 M506 S507 T508 L554 V652 | I420-P504 HydrophobicContact CD1-CG 4.33Å; I420-P504 HydrophobicContact CG2-CG 4.37Å; F470-P504 HydrophobicContact CD2-CG 4.4Å; F470-P504 HydrophobicContact CE1-CB 4.04Å; F470-P504 HydrophobicContact CE1-CG 4.49Å; F470-P504 HydrophobicContact CE2-CB 4.17Å; F470-P504 HydrophobicContact CE2-CG 3.85Å; F470-P504 HydrophobicContact CZ-CB 3.69Å; F470-P504 HydrophobicContact CZ-CG 3.91Å; P500-P504 WeakPolarHBondContact O-CD 3.48Å; P504-M506 PolarHBondContact O-N 3.49Å; P504-S507 PolarHBondContact O-N 3.17Å; P504-T508 WeakPolarHBondContact O-CG2 3.4Å; P504-T508 PolarHBondContact O-N 3.02Å; P504-L554 HydrophobicContact CB-CD2 4.36Å; P504-V652 HydrophobicContact CB-CG2 3.96Å |
| 505 | V | 89.5 | Confident | 81 | Confident | 28 Ų | 28 | 43.2 Ų | 43.2 | 17% | 0.17 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.5 | -46.9 | -178.4 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | L502 V503 T508 L651 V652 S655 | L502-V505 PolarHBondContact O-N 3.3Å; V503-V505 PolarHBondContact O-N 3.22Å; V505-T508 PolarHBondContact O-OG1 3.06Å; V505-L651 HydrophobicContact CG2-CB 4.31Å; V505-V652 HydrophobicContact CG2-CG2 4.28Å; V505-S655 WeakPolarHBondContact CG1-OG 3.45Å |
| 506 | M | 88.3 | Confident | 82.1 | Confident | 80 Ų | 80 | 42.2 Ų | 42.2 | 39% | 0.394 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.7 | -41.5 | 176.9 | -68.6 | 176.4 | 65.3 | 0 | 0 | 111.9 | L477 L502 P504 T508 K509 | L477-M506 HydrophobicContact CD1-SD 3.89Å; L477-M506 HydrophobicContact CD2-CE 4.49Å; L477-M506 HydrophobicContact CD2-SD 3.84Å; L477-M506 HydrophobicContact CG-CE 4.42Å; L477-M506 HydrophobicContact CG-SD 3.89Å; L502-M506 WeakPolarHBondContact O-CG 3.23Å; L502-M506 PolarHBondContact O-N 2.83Å; P504-M506 PolarHBondContact O-N 3.49Å; M506-T508 PolarHBondContact O-N 3.47Å; M506-K509 PolarHBondContact O-N 3.23Å |
| 507 | S | 89.9 | Confident | 83.4 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.6 | -36.8 | -175.6 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | F470 S473 V503 P504 K509 S510 Y513 | F470-S507 VanDerWaalsContact CD1-CB 3.45Å; F470-S507 WeakPolarHBondContact CD1-OG 3.12Å; S473-S507 VanDerWaalsContact CB-OG 3.23Å; S473-S507 WeakPolarHBondContact CB-OG 3.48Å; S473-S507 PolarHBondContact OG-N 2.97Å; S473-S507 PolarHBondContact OG-OG 3.38Å; V503-S507 WeakPolarHBondContact O-CB 3.48Å; V503-S507 PolarHBondContact O-N 2.98Å; V503-S507 PolarHBondContact O-OG 3.07Å; P504-S507 PolarHBondContact O-N 3.17Å; S507-K509 PolarHBondContact O-N 3.48Å; S507-K509 VanDerWaalsContact O-N 3.1Å; S507-S510 WeakPolarHBondContact O-CB 3.29Å; S507-S510 PolarHBondContact O-N 2.65Å; S507-Y513 WeakPolarHBondContact O-CB 3.44Å |
| 508 | T | 88.5 | Confident | 84.7 | Confident | 6 Ų | 6 | 41.4 Ų | 41.4 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -13.4 | 177.9 | 63.8 | 0 | 0 | 0 | 0 | 114.8 | P504 V505 M506 Y513 L554 V652 | P504-T508 WeakPolarHBondContact O-CG2 3.4Å; P504-T508 PolarHBondContact O-N 3.02Å; V505-T508 PolarHBondContact O-OG1 3.06Å; M506-T508 PolarHBondContact O-N 3.47Å; T508-Y513 HydrophobicContact CG2-CD2 4.33Å; T508-Y513 HydrophobicContact CG2-CE1 4.36Å; T508-Y513 HydrophobicContact CG2-CE2 3.99Å; T508-L554 HydrophobicContact CG2-CD2 3.75Å; T508-V652 HydrophobicContact CG2-CG1 3.83Å; T508-V652 HydrophobicContact CG2-CG2 4.33Å |
| 509 | K | 84.5 | Confident | 86.1 | Confident | 108 Ų | 108 | 43 Ų | 43 | 47% | 0.47 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -10.5 | 175 | -59.4 | -64.4 | -174.4 | 173.4 | 0 | 113.1 | M506 S507 S659 | M506-K509 PolarHBondContact O-N 3.23Å; S507-K509 PolarHBondContact O-N 3.48Å; S507-K509 VanDerWaalsContact O-N 3.1Å; K509-S659 PolarHBondContact NZ-OG 2.85Å |
| 510 | S | 85 | Confident | 87.2 | Confident | 53 Ų | 53 | 43 Ų | 43 | 37% | 0.371 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -76.9 | 143.7 | 178.3 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | S507 K512 Y513 | S507-S510 WeakPolarHBondContact O-CB 3.29Å; S507-S510 PolarHBondContact O-N 2.65Å; S510-K512 PolarHBondContact O-N 3.46Å; S510-K512 WeakPolarHBondContact OG-CB 3.32Å; S510-K512 PolarHBondContact OG-N 3.18Å; S510-Y513 WeakPolarHBondContact O-CB 3.18Å; S510-Y513 PolarHBondContact O-N 3.36Å; S510-Y513 VanDerWaalsContact O-N 3.17Å |
| 511 | S | 82.9 | Confident | 88.1 | Confident | 92 Ų | 92 | 43 Ų | 43 | 64% | 0.643 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -60.1 | -33.1 | 171.2 | 56 | 0 | 0 | 0 | 0 | 112 | Y513 S514 E515 | S511-Y513 PolarHBondContact O-N 3.02Å; S511-S514 PolarHBondContact O-N 2.94Å; S511-E515 PolarHBondContact O-N 3.14Å |
| 512 | K | 85.3 | Confident | 88.8 | Confident | 86 Ų | 86 | 45.6 Ų | 45.6 | 37% | 0.374 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.2 | -30.8 | 176.8 | -173 | 174.4 | 175.1 | 178.4 | 0 | 112.7 | D472 S510 E515 E516 | D472-K512 IonicContact OD1-NZ 3.72Å; D472-K512 VanDerWaalsContact OD2-CD 3.29Å; D472-K512 WeakPolarHBondContact OD2-CD 3.42Å; D472-K512 IonicContact OD2-NZ 2.69Å; D472-K512 PolarHBondContact OD2-NZ 3.28Å; S510-K512 PolarHBondContact O-N 3.46Å; S510-K512 WeakPolarHBondContact OG-CB 3.32Å; S510-K512 PolarHBondContact OG-N 3.18Å; K512-E515 PolarHBondContact O-N 3.1Å; K512-E516 PolarHBondContact O-N 3.4Å |
| 513 | Y | 90.3 | Very high | 89.2 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 2% | 0.02 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 175.9 | -177.6 | -93.3 | 0 | 0 | 0 | 111.9 | V469 S507 T508 S510 S511 E516 L517 L554 L555 D558 | V469-Y513 HydrophobicContact CB-CD2 4.44Å; V469-Y513 HydrophobicContact CG2-CD2 3.83Å; V469-Y513 HydrophobicContact CG2-CE2 4.24Å; S507-Y513 WeakPolarHBondContact O-CB 3.44Å; T508-Y513 HydrophobicContact CG2-CD2 4.33Å; T508-Y513 HydrophobicContact CG2-CE1 4.36Å; T508-Y513 HydrophobicContact CG2-CE2 3.99Å; S510-Y513 WeakPolarHBondContact O-CB 3.18Å; S510-Y513 PolarHBondContact O-N 3.36Å; S510-Y513 VanDerWaalsContact O-N 3.17Å; S511-Y513 PolarHBondContact O-N 3.02Å; Y513-E516 PolarHBondContact O-N 3.3Å; Y513-L517 WeakPolarHBondContact O-CB 2.96Å; Y513-L517 PolarHBondContact O-N 3.23Å; Y513-L554 HydrophobicContact CE2-CD2 4.18Å; Y513-L554 HydrophobicContact CE2-CG 4.49Å; Y513-L554 WeakPolarHBondContact OH-CG 3.45Å; Y513-L554 PolarHBondContact OH-O 2.89Å; Y513-L555 HydrophobicContact CD2-CD2 4.25Å; Y513-L555 HydrophobicContact CE2-CD2 3.65Å; Y513-L555 HydrophobicContact CE2-CG 4.5Å; Y513-D558 WeakPolarHBondContact CE1-OD2 3.3Å; Y513-D558 VanDerWaalsContact CZ-OD2 3.25Å; Y513-D558 PolarHBondContact OH-OD2 3.43Å |
| 514 | S | 86.9 | Confident | 89.5 | Confident | 35 Ų | 35 | 42.7 Ų | 42.7 | 25% | 0.245 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.3 | -34.6 | 178.8 | -169 | 0 | 0 | 0 | 0 | 112.4 | S511 S518 | S511-S514 PolarHBondContact O-N 2.94Å; S514-S518 PolarHBondContact O-N 3.49Å |
| 515 | E | 88.7 | Confident | 89.8 | Confident | 115 Ų | 115 | 43.3 Ų | 43.3 | 54% | 0.537 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.9 | -44.4 | 173.8 | -67.6 | 174 | -166.6 | 0 | 0 | 111.3 | S511 K512 L517 S518 R519 | S511-E515 PolarHBondContact O-N 3.14Å; K512-E515 PolarHBondContact O-N 3.1Å; E515-L517 VanDerWaalsContact C-N 3.35Å; E515-S518 PolarHBondContact O-N 3.36Å; E515-R519 PolarHBondContact O-N 2.78Å |
| 516 | E | 89.5 | Confident | 90.1 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.019 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.4 | -35.2 | 177.7 | -170.9 | 56.8 | -150.1 | 0 | 0 | 112.4 | A467 V469 K512 Y513 S518 R519 A520 L555 | A467-E516 HydrophobicContact CB-CG 4Å; A467-E516 WeakPolarHBondContact CB-OE1 3.39Å; A467-E516 WeakPolarHBondContact CB-OE2 3.37Å; A467-E516 PolarHBondContact N-OE1 2.85Å; V469-E516 HydrophobicContact CG1-CB 3.36Å; V469-E516 HydrophobicContact CG1-CG 3.57Å; K512-E516 PolarHBondContact O-N 3.4Å; Y513-E516 PolarHBondContact O-N 3.3Å; E516-S518 VanDerWaalsContact C-N 3.32Å; E516-S518 PolarHBondContact O-N 3.15Å; E516-R519 PolarHBondContact O-N 2.72Å; E516-R519 IonicContact OE2-CZ 3.6Å; E516-R519 IonicContact OE2-NE 3.94Å; E516-R519 IonicContact OE2-NH1 2.61Å; E516-R519 PolarHBondContact OE2-NH1 3.1Å; E516-A520 VanDerWaalsContact O-CB 3.3Å; E516-A520 WeakPolarHBondContact O-CB 3.14Å; E516-A520 PolarHBondContact O-N 3.13Å; E516-L555 HydrophobicContact CG-CD1 3.93Å |
| 517 | L | 91.6 | Very high | 90.4 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.8 | -47.5 | 172.1 | 177.9 | 62.5 | 0 | 0 | 0 | 111.1 | Y513 E515 R519 A520 V521 L555 D558 A559 | Y513-L517 WeakPolarHBondContact O-CB 2.96Å; Y513-L517 PolarHBondContact O-N 3.23Å; E515-L517 VanDerWaalsContact C-N 3.35Å; L517-R519 PolarHBondContact O-N 3Å; L517-A520 PolarHBondContact O-N 3.21Å; L517-V521 WeakPolarHBondContact O-CG2 3.41Å; L517-V521 PolarHBondContact O-N 3.18Å; L517-L555 HydrophobicContact CB-CD2 4.2Å; L517-L555 HydrophobicContact CD1-CD2 4.42Å; L517-L555 VanDerWaalsContact CD1-O 3.23Å; L517-L555 WeakPolarHBondContact CD1-O 3.37Å; L517-D558 HydrophobicContact CD1-CB 4.01Å; L517-D558 HydrophobicContact CD2-CB 4.12Å; L517-A559 HydrophobicContact CD1-CB 3.94Å |
| 518 | S | 90.7 | Very high | 90.6 | Very high | 48 Ų | 48 | 46.4 Ų | 46.4 | 34% | 0.336 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.6 | -44.5 | 176 | -165 | 0 | 0 | 0 | 0 | 111.5 | S514 E515 E516 A520 V521 D522 | S514-S518 PolarHBondContact O-N 3.49Å; E515-S518 PolarHBondContact O-N 3.36Å; E516-S518 VanDerWaalsContact C-N 3.32Å; E516-S518 PolarHBondContact O-N 3.15Å; S518-A520 PolarHBondContact O-N 3.25Å; S518-V521 PolarHBondContact O-N 2.95Å; S518-D522 PolarHBondContact O-N 2.78Å |
| 519 | R | 91.5 | Very high | 90.8 | Very high | 136 Ų | 136 | 50.6 Ų | 50.6 | 51% | 0.513 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 179.1 | -172.1 | 179.5 | -65.7 | 126 | 4.2 | 112.5 | E515 E516 L517 D522 A523 | E515-R519 PolarHBondContact O-N 2.78Å; E516-R519 PolarHBondContact O-N 2.72Å; E516-R519 IonicContact OE2-CZ 3.6Å; E516-R519 IonicContact OE2-NE 3.94Å; E516-R519 IonicContact OE2-NH1 2.61Å; E516-R519 PolarHBondContact OE2-NH1 3.1Å; L517-R519 PolarHBondContact O-N 3Å; R519-D522 PolarHBondContact O-N 2.95Å; R519-A523 VanDerWaalsContact O-CB 3.27Å; R519-A523 WeakPolarHBondContact O-CB 3.17Å; R519-A523 PolarHBondContact O-N 3.41Å |
| 520 | A | 92.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F415 E516 L517 S518 A523 A524 L555 | F415-A520 HydrophobicContact CE1-CB 4.4Å; E516-A520 VanDerWaalsContact O-CB 3.3Å; E516-A520 WeakPolarHBondContact O-CB 3.14Å; E516-A520 PolarHBondContact O-N 3.13Å; L517-A520 PolarHBondContact O-N 3.21Å; S518-A520 PolarHBondContact O-N 3.25Å; A520-A523 PolarHBondContact O-N 3.12Å; A520-A524 WeakPolarHBondContact O-CB 3.49Å; A520-A524 PolarHBondContact O-N 2.85Å; A520-L555 HydrophobicContact CB-CB 4.49Å; A520-L555 HydrophobicContact CB-CD1 4.28Å |
| 521 | V | 93 | Very high | 91.6 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.024 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.3 | -45.4 | 174 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | L517 S518 A523 A524 N525 A559 A633 L635 | L517-V521 WeakPolarHBondContact O-CG2 3.41Å; L517-V521 PolarHBondContact O-N 3.18Å; S518-V521 PolarHBondContact O-N 2.95Å; V521-A523 VanDerWaalsContact C-N 3.29Å; V521-A523 PolarHBondContact O-N 3.33Å; V521-A524 PolarHBondContact O-N 2.77Å; V521-N525 WeakPolarHBondContact O-CB 3.48Å; V521-N525 VanDerWaalsContact O-CG 3.3Å; V521-N525 PolarHBondContact O-N 2.88Å; V521-N525 PolarHBondContact O-ND2 3.41Å; V521-A559 HydrophobicContact CG2-CB 3.58Å; V521-A633 HydrophobicContact CB-CB 4.38Å; V521-A633 HydrophobicContact CG1-CB 3.87Å; V521-A633 VanDerWaalsContact CG1-O 3.32Å; V521-A633 WeakPolarHBondContact CG1-O 3.38Å; V521-L635 HydrophobicContact CG1-CD2 4.05Å; V521-L635 HydrophobicContact CG1-CG 4.37Å; V521-L635 HydrophobicContact CG2-CD2 4.43Å |
| 522 | D | 93.6 | Very high | 92 | Very high | 78 Ų | 78 | 45.9 Ų | 45.9 | 42% | 0.417 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63 | -38 | 176.3 | -69.9 | -30.3 | 0 | 0 | 0 | 111.7 | S518 R519 R526 A633 | S518-D522 PolarHBondContact O-N 2.78Å; R519-D522 PolarHBondContact O-N 2.95Å; D522-R526 VanDerWaalsContact O-CB 3.31Å; D522-R526 WeakPolarHBondContact O-CB 3.31Å; D522-R526 PolarHBondContact O-N 3.44Å; D522-A633 WeakPolarHBondContact OD1-CB 3.38Å |
| 523 | A | 93.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.1 | -45.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V464 R519 A520 V521 R526 V527 | V464-A523 HydrophobicContact CG1-CB 4.05Å; R519-A523 VanDerWaalsContact O-CB 3.27Å; R519-A523 WeakPolarHBondContact O-CB 3.17Å; R519-A523 PolarHBondContact O-N 3.41Å; A520-A523 PolarHBondContact O-N 3.12Å; V521-A523 VanDerWaalsContact C-N 3.29Å; V521-A523 PolarHBondContact O-N 3.33Å; A523-R526 PolarHBondContact O-N 3.36Å; A523-V527 WeakPolarHBondContact O-CB 3.3Å; A523-V527 VanDerWaalsContact O-CG2 3.26Å; A523-V527 WeakPolarHBondContact O-CG2 3.44Å; A523-V527 PolarHBondContact O-N 3.21Å |
| 524 | A | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F415 V464 A520 V521 R526 V527 Y528 L635 F637 | F415-A524 HydrophobicContact CE1-CB 4.26Å; F415-A524 HydrophobicContact CE2-CB 4.02Å; F415-A524 HydrophobicContact CZ-CB 3.46Å; F415-A524 VanDerWaalsContact CZ-CB 3.46Å; V464-A524 HydrophobicContact CG1-CB 3.99Å; V464-A524 HydrophobicContact CG2-CB 4.17Å; A520-A524 WeakPolarHBondContact O-CB 3.49Å; A520-A524 PolarHBondContact O-N 2.85Å; V521-A524 PolarHBondContact O-N 2.77Å; A524-R526 VanDerWaalsContact C-N 3.34Å; A524-R526 PolarHBondContact O-N 2.78Å; A524-V527 PolarHBondContact O-N 3.03Å; A524-Y528 VanDerWaalsContact O-CB 3.27Å; A524-Y528 WeakPolarHBondContact O-CB 3.41Å; A524-Y528 PolarHBondContact O-N 3.46Å; A524-L635 HydrophobicContact CB-CD2 3.68Å; A524-F637 HydrophobicContact CB-CE1 4.47Å; A524-F637 HydrophobicContact CB-CZ 4.18Å |
| 525 | N | 95.3 | Very high | 91.8 | Very high | 14 Ų | 14 | 56 Ų | 56 | 8% | 0.075 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 176.3 | -75.7 | -27.3 | 0 | 0 | 0 | 112.2 | V521 Q529 L634 L635 K636 | V521-N525 WeakPolarHBondContact O-CB 3.48Å; V521-N525 VanDerWaalsContact O-CG 3.3Å; V521-N525 PolarHBondContact O-N 2.88Å; V521-N525 PolarHBondContact O-ND2 3.41Å; N525-Q529 WeakPolarHBondContact O-CB 3.28Å; N525-Q529 PolarHBondContact O-N 3.5Å; N525-L634 PolarHBondContact ND2-O 3.32Å; N525-L635 WeakPolarHBondContact OD1-CA 3.41Å; N525-K636 HydrophobicContact CB-CD 4.41Å; N525-K636 PolarHBondContact OD1-N 2.92Å |
| 526 | R | 95.2 | Very high | 91.4 | Very high | 123 Ų | 123 | 57 Ų | 57 | 46% | 0.464 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.4 | -49.2 | 175.5 | 179.3 | 179.2 | 62.1 | -95.9 | -1.1 | 111.7 | D522 A523 A524 Y528 Q529 E530 | D522-R526 VanDerWaalsContact O-CB 3.31Å; D522-R526 WeakPolarHBondContact O-CB 3.31Å; D522-R526 PolarHBondContact O-N 3.44Å; A523-R526 PolarHBondContact O-N 3.36Å; A524-R526 VanDerWaalsContact C-N 3.34Å; A524-R526 PolarHBondContact O-N 2.78Å; R526-Y528 VanDerWaalsContact C-N 3.26Å; R526-Y528 PolarHBondContact O-N 2.98Å; R526-Q529 PolarHBondContact O-N 3.11Å; R526-Q529 VanDerWaalsContact O-N 3.13Å; R526-E530 WeakPolarHBondContact CD-OE1 3.3Å; R526-E530 HydrophobicContact CG-CG 4.33Å; R526-E530 VanDerWaalsContact CG-OE1 3.27Å; R526-E530 WeakPolarHBondContact CG-OE1 3.43Å; R526-E530 IonicContact NE-OE1 3.64Å; R526-E530 WeakPolarHBondContact O-CB 3.25Å; R526-E530 WeakPolarHBondContact O-CG 3.27Å; R526-E530 PolarHBondContact O-N 2.88Å |
| 527 | V | 94.4 | Very high | 91.1 | Very high | 13 Ų | 13 | 56.8 Ų | 56.8 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62 | -36.5 | 179.1 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | L413 R462 L463 V464 A523 A524 F531 | L413-V527 HydrophobicContact CD2-CG1 4.19Å; R462-V527 HydrophobicContact CB-CG1 3.65Å; R462-V527 HydrophobicContact CG-CG1 4.31Å; L463-V527 WeakPolarHBondContact O-CG2 3.41Å; V464-V527 HydrophobicContact CG2-CB 4.33Å; V464-V527 HydrophobicContact CG2-CG1 4.31Å; V464-V527 HydrophobicContact CG2-CG2 4.48Å; A523-V527 WeakPolarHBondContact O-CB 3.3Å; A523-V527 VanDerWaalsContact O-CG2 3.26Å; A523-V527 WeakPolarHBondContact O-CG2 3.44Å; A523-V527 PolarHBondContact O-N 3.21Å; A524-V527 PolarHBondContact O-N 3.03Å; V527-F531 WeakPolarHBondContact O-CB 3.1Å; V527-F531 PolarHBondContact O-N 2.83Å |
| 528 | Y | 94.8 | Very high | 90.7 | Very high | 38 Ų | 38 | 60.6 Ų | 60.6 | 15% | 0.149 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64 | -46.9 | 173.2 | 179.9 | -107.9 | 0 | 0 | 0 | 111.7 | L411 A524 R526 F531 L532 F540 V544 F637 | L411-Y528 HydrophobicContact CD2-CD2 3.63Å; L411-Y528 HydrophobicContact CD2-CE2 3.93Å; A524-Y528 VanDerWaalsContact O-CB 3.27Å; A524-Y528 WeakPolarHBondContact O-CB 3.41Å; A524-Y528 PolarHBondContact O-N 3.46Å; R526-Y528 VanDerWaalsContact C-N 3.26Å; R526-Y528 PolarHBondContact O-N 2.98Å; Y528-F531 WeakPolarHBondContact O-CB 3.31Å; Y528-F531 PolarHBondContact O-N 2.95Å; Y528-L532 HydrophobicContact CD1-CD1 4.09Å; Y528-L532 HydrophobicContact CE1-CD1 3.53Å; Y528-L532 HydrophobicContact CE1-CG 4.22Å; Y528-L532 WeakPolarHBondContact O-CG 3.35Å; Y528-L532 PolarHBondContact O-N 2.79Å; Y528-F540 HydrophobicContact CE2-CE1 4.49Å; Y528-V544 HydrophobicContact CD2-CG2 4.31Å; Y528-V544 HydrophobicContact CE2-CG2 3.69Å; Y528-F637 HydrophobicContact CD1-CB 4.14Å; Y528-F637 AromaticContact CD1-CD1 3.54Å; Y528-F637 HydrophobicContact CD1-CD1 3.54Å; Y528-F637 HydrophobicContact CD1-CE1 4.36Å; Y528-F637 HydrophobicContact CD1-CG 4.18Å; Y528-F637 HydrophobicContact CD2-CB 4.32Å; Y528-F637 AromaticContact CD2-CD1 3.88Å; Y528-F637 HydrophobicContact CD2-CD1 3.88Å; Y528-F637 HydrophobicContact CD2-CE1 4.41Å; Y528-F637 HydrophobicContact CD2-CG 4.07Å; Y528-F637 HydrophobicContact CE1-CB 3.79Å; Y528-F637 HydrophobicContact CE1-CD1 4.1Å; Y528-F637 HydrophobicContact CE1-CG 4.32Å; Y528-F637 HydrophobicContact CE2-CB 4.01Å; Y528-F637 HydrophobicContact CE2-CD1 4.42Å; Y528-F637 HydrophobicContact CE2-CG 4.24Å; Y528-F637 HydrophobicContact CG-CB 4.38Å; Y528-F637 AromaticContact CG-CD1 3.4Å; Y528-F637 HydrophobicContact CG-CD1 3.4Å; Y528-F637 VanDerWaalsContact CG-CD1 3.4Å; Y528-F637 AromaticContact CG-CE1 3.89Å; Y528-F637 HydrophobicContact CG-CE1 3.89Å; Y528-F637 HydrophobicContact CG-CG 4.04Å |
| 529 | Q | 92.9 | Very high | 90.2 | Very high | 94 Ų | 94 | 61.3 Ų | 61.3 | 44% | 0.439 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 176.7 | -170.2 | 61.8 | 44.8 | 0 | 0 | 112 | N525 R526 F531 L532 D533 | N525-Q529 WeakPolarHBondContact O-CB 3.28Å; N525-Q529 PolarHBondContact O-N 3.5Å; R526-Q529 PolarHBondContact O-N 3.11Å; R526-Q529 VanDerWaalsContact O-N 3.13Å; Q529-F531 PolarHBondContact O-N 2.96Å; Q529-L532 WeakPolarHBondContact O-CB 3.35Å; Q529-L532 PolarHBondContact O-N 2.75Å; Q529-L532 VanDerWaalsContact O-N 3.07Å; Q529-D533 PolarHBondContact NE2-OD1 3.16Å; Q529-D533 PolarHBondContact O-N 2.91Å |
| 530 | E | 93.1 | Very high | 90 | Very high | 110 Ų | 110 | 55.8 Ų | 55.8 | 51% | 0.514 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.8 | -34.2 | 175.1 | -73.5 | 171.9 | -172.8 | 0 | 0 | 112 | R526 S534 | R526-E530 WeakPolarHBondContact CD-OE1 3.3Å; R526-E530 HydrophobicContact CG-CG 4.33Å; R526-E530 VanDerWaalsContact CG-OE1 3.27Å; R526-E530 WeakPolarHBondContact CG-OE1 3.43Å; R526-E530 IonicContact NE-OE1 3.64Å; R526-E530 WeakPolarHBondContact O-CB 3.25Å; R526-E530 WeakPolarHBondContact O-CG 3.27Å; R526-E530 PolarHBondContact O-N 2.88Å; E530-S534 PolarHBondContact O-N 2.9Å; E530-S534 VanDerWaalsContact O-N 3.15Å |
| 531 | F | 92.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.4 | -47.8 | 173 | 170.5 | -106.2 | 0 | 0 | 0 | 111.5 | L408 L411 A460 R462 V527 Y528 Q529 D533 S534 G537 F540 | L408-F531 HydrophobicContact CD1-CE2 4.27Å; L408-F531 HydrophobicContact CD1-CZ 4.16Å; L411-F531 HydrophobicContact CB-CE1 4.39Å; L411-F531 HydrophobicContact CD1-CD1 3.98Å; L411-F531 HydrophobicContact CD1-CD2 4.17Å; L411-F531 HydrophobicContact CD1-CE1 3.96Å; L411-F531 HydrophobicContact CD1-CE2 4.17Å; L411-F531 HydrophobicContact CD1-CG 4.07Å; L411-F531 HydrophobicContact CD1-CZ 4.06Å; L411-F531 HydrophobicContact CD2-CD1 3.6Å; L411-F531 HydrophobicContact CD2-CE1 3.86Å; L411-F531 HydrophobicContact CD2-CG 4.26Å; L411-F531 HydrophobicContact CG-CD1 4.36Å; L411-F531 HydrophobicContact CG-CE1 4.3Å; A460-F531 HydrophobicContact CB-CD2 4.48Å; A460-F531 HydrophobicContact CB-CE2 3.6Å; A460-F531 HydrophobicContact CB-CZ 3.89Å; R462-F531 HydrophobicContact CG-CD2 4.48Å; V527-F531 WeakPolarHBondContact O-CB 3.1Å; V527-F531 PolarHBondContact O-N 2.83Å; Y528-F531 WeakPolarHBondContact O-CB 3.31Å; Y528-F531 PolarHBondContact O-N 2.95Å; Q529-F531 PolarHBondContact O-N 2.96Å; F531-D533 VanDerWaalsContact C-N 3.26Å; F531-D533 PolarHBondContact O-N 2.8Å; F531-S534 WeakPolarHBondContact O-CB 3.16Å; F531-S534 PolarHBondContact O-N 3.27Å; F531-S534 PolarHBondContact O-OG 3.16Å; F531-G537 VanDerWaalsContact O-CA 3.22Å; F531-G537 WeakPolarHBondContact O-CA 3.4Å; F531-F540 HydrophobicContact CE1-CB 3.79Å; F531-F540 AromaticContact CE1-CD1 3.74Å; F531-F540 HydrophobicContact CE1-CD1 3.74Å; F531-F540 AromaticContact CE1-CD2 3.81Å; F531-F540 HydrophobicContact CE1-CD2 3.81Å; F531-F540 HydrophobicContact CE1-CE1 4.24Å; F531-F540 HydrophobicContact CE1-CE2 4.3Å; F531-F540 AromaticContact CE1-CG 3.5Å; F531-F540 HydrophobicContact CE1-CG 3.5Å; F531-F540 HydrophobicContact CE1-CZ 4.5Å; F531-F540 HydrophobicContact CZ-CB 4.22Å; F531-F540 AromaticContact CZ-CD2 3.98Å; F531-F540 HydrophobicContact CZ-CD2 3.98Å; F531-F540 HydrophobicContact CZ-CG 4.05Å |
| 532 | L | 91.3 | Very high | 89.1 | Confident | 42 Ų | 42 | 61.2 Ų | 61.2 | 22% | 0.22 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.5 | -37.5 | 176.4 | -66.9 | -179.1 | 0 | 0 | 0 | 112.2 | Y528 Q529 S534 G537 S538 F540 | Y528-L532 HydrophobicContact CD1-CD1 4.09Å; Y528-L532 HydrophobicContact CE1-CD1 3.53Å; Y528-L532 HydrophobicContact CE1-CG 4.22Å; Y528-L532 WeakPolarHBondContact O-CG 3.35Å; Y528-L532 PolarHBondContact O-N 2.79Å; Q529-L532 WeakPolarHBondContact O-CB 3.35Å; Q529-L532 PolarHBondContact O-N 2.75Å; Q529-L532 VanDerWaalsContact O-N 3.07Å; L532-S534 VanDerWaalsContact C-N 3.26Å; L532-S534 PolarHBondContact O-N 3.24Å; L532-G537 CarbonylContact O-C 3.46Å; L532-S538 VanDerWaalsContact O-CA 3.26Å; L532-S538 WeakPolarHBondContact O-CA 3.45Å; L532-S538 PolarHBondContact O-N 2.74Å; L532-S538 VanDerWaalsContact O-N 3.16Å; L532-F540 HydrophobicContact CD2-CB 4.3Å; L532-F540 HydrophobicContact CD2-CD1 4.15Å |
| 533 | D | 90.9 | Very high | 88.9 | Confident | 118 Ų | 118 | 60.9 Ų | 60.9 | 63% | 0.631 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -73.7 | -17.7 | 177.9 | -61.6 | -15.9 | 0 | 0 | 0 | 112.6 | Q529 F531 | Q529-D533 PolarHBondContact NE2-OD1 3.16Å; Q529-D533 PolarHBondContact O-N 2.91Å; F531-D533 VanDerWaalsContact C-N 3.26Å; F531-D533 PolarHBondContact O-N 2.8Å |
| 534 | S | 87.9 | Confident | 88.9 | Confident | 34 Ų | 34 | 60.9 Ų | 60.9 | 24% | 0.238 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -74 | 152.1 | 177.7 | 78.7 | 0 | 0 | 0 | 0 | 112.2 | E530 F531 L532 K536 G537 S538 | E530-S534 PolarHBondContact O-N 2.9Å; E530-S534 VanDerWaalsContact O-N 3.15Å; F531-S534 WeakPolarHBondContact O-CB 3.16Å; F531-S534 PolarHBondContact O-N 3.27Å; F531-S534 PolarHBondContact O-OG 3.16Å; L532-S534 VanDerWaalsContact C-N 3.26Å; L532-S534 PolarHBondContact O-N 3.24Å; S534-K536 PolarHBondContact O-N 3.06Å; S534-G537 PolarHBondContact O-N 2.92Å; S534-G537 PolarHBondContact OG-N 3.17Å; S534-S538 PolarHBondContact O-N 2.76Å |
| 535 | E | 80.9 | Confident | 88.9 | Confident | 187 Ų | 187 | 60.9 Ų | 60.9 | 87% | 0.874 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -40.8 | 178.1 | -66.5 | -177.9 | 171.3 | 0 | 0 | 112.4 | S538 | E535-S538 PolarHBondContact O-OG 3.27Š|
| 536 | K | 79 | Confident | 89 | Confident | 136 Ų | 136 | 60.2 Ų | 60.2 | 59% | 0.591 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -35.8 | 179.8 | -68.1 | -171.8 | 177.9 | -175.4 | 0 | 113.1 | L408 S534 | L408-K536 HydrophobicContact CD1-CB 3.86Å; L408-K536 WeakPolarHBondContact CD1-O 3.41Å; S534-K536 PolarHBondContact O-N 3.06Å |
| 537 | G | 83.3 | Confident | 89 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -12.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | F531 L532 S534 S539 F540 | F531-G537 VanDerWaalsContact O-CA 3.22Å; F531-G537 WeakPolarHBondContact O-CA 3.4Å; L532-G537 CarbonylContact O-C 3.46Å; S534-G537 PolarHBondContact O-N 2.92Å; S534-G537 PolarHBondContact OG-N 3.17Å; G537-S539 PolarHBondContact O-N 3.28Å; G537-F540 WeakPolarHBondContact O-CB 3.46Å; G537-F540 PolarHBondContact O-N 3.01Å |
| 538 | S | 82.8 | Confident | 89 | Confident | 91 Ų | 91 | 53.7 Ų | 53.7 | 64% | 0.636 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -25.6 | -179.9 | 62.3 | 0 | 0 | 0 | 0 | 114.9 | L532 S534 E535 | L532-S538 VanDerWaalsContact O-CA 3.26Å; L532-S538 WeakPolarHBondContact O-CA 3.45Å; L532-S538 PolarHBondContact O-N 2.74Å; L532-S538 VanDerWaalsContact O-N 3.16Å; S534-S538 PolarHBondContact O-N 2.76Å; E535-S538 PolarHBondContact O-OG 3.27Å |
| 539 | S | 81.2 | Confident | 88.9 | Confident | 63 Ų | 63 | 52 Ų | 52 | 44% | 0.441 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 11 | 176.6 | 66.4 | 0 | 0 | 0 | 0 | 114 | K407 G537 A541 | K407-S539 WeakPolarHBondContact CE-O 3.2Å; G537-S539 PolarHBondContact O-N 3.28Å; S539-A541 PolarHBondContact O-N 3.21Å |
| 540 | F | 87.2 | Confident | 88.7 | Confident | 20 Ų | 20 | 47.7 Ų | 47.7 | 9% | 0.088 | 27% | 0.27 | C | S | . | . | trans | -72.8 | 117.3 | -177.1 | -178.8 | -101.5 | 0 | 0 | 0 | 111.2 | L408 L411 Y528 F531 L532 G537 G542 V544 | L408-F540 HydrophobicContact CB-CD2 4.17Å; L411-F540 HydrophobicContact CB-CE1 4.08Å; L411-F540 HydrophobicContact CB-CE2 3.9Å; L411-F540 HydrophobicContact CB-CZ 3.44Å; L411-F540 VanDerWaalsContact CB-CZ 3.44Å; L411-F540 HydrophobicContact CD2-CE1 4.46Å; Y528-F540 HydrophobicContact CE2-CE1 4.49Å; F531-F540 HydrophobicContact CE1-CB 3.79Å; F531-F540 AromaticContact CE1-CD1 3.74Å; F531-F540 HydrophobicContact CE1-CD1 3.74Å; F531-F540 AromaticContact CE1-CD2 3.81Å; F531-F540 HydrophobicContact CE1-CD2 3.81Å; F531-F540 HydrophobicContact CE1-CE1 4.24Å; F531-F540 HydrophobicContact CE1-CE2 4.3Å; F531-F540 AromaticContact CE1-CG 3.5Å; F531-F540 HydrophobicContact CE1-CG 3.5Å; F531-F540 HydrophobicContact CE1-CZ 4.5Å; F531-F540 HydrophobicContact CZ-CB 4.22Å; F531-F540 AromaticContact CZ-CD2 3.98Å; F531-F540 HydrophobicContact CZ-CD2 3.98Å; F531-F540 HydrophobicContact CZ-CG 4.05Å; L532-F540 HydrophobicContact CD2-CB 4.3Å; L532-F540 HydrophobicContact CD2-CD1 4.15Å; G537-F540 WeakPolarHBondContact O-CB 3.46Å; G537-F540 PolarHBondContact O-N 3.01Å; F540-G542 VanDerWaalsContact CZ-C 3.45Å; F540-V544 HydrophobicContact CE1-CG2 4.07Å; F540-V544 HydrophobicContact CZ-CG2 4.4Å | ||
| 541 | A | 80.9 | Confident | 88.5 | Confident | 93 Ų | 93 | 42.5 Ų | 42.5 | 77% | 0.769 | 25% | 0.246 | S | C | * | . | trans | -130.5 | 41.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | S539 | S539-A541 PolarHBondContact O-N 3.21Š| ||
| 542 | G | 85.7 | Confident | 88.5 | Confident | 27 Ų | 27 | 42.4 Ų | 42.4 | 28% | 0.278 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -103.4 | -176.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T409 F540 | T409-G542 CarbonylContact O-C 3.48Å; T409-G542 WeakPolarHBondContact O-CA 3.25Å; F540-G542 VanDerWaalsContact CZ-C 3.45Å |
| 543 | E | 89.9 | Confident | 88.6 | Confident | 71 Ų | 71 | 40.4 Ų | 40.4 | 33% | 0.332 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 139.5 | 177 | -68.5 | 161.5 | -135.6 | 0 | 0 | 111.2 | T409 K410 L411 E640 | T409-E543 PolarHBondContact O-N 3.48Å; K410-E543 CarbonylContact C-O 3.43Å; K410-E543 WeakPolarHBondContact CA-O 3.17Å; K410-E543 HydrophobicContact CD-CB 3.98Å; K410-E543 IonicContact NZ-OE1 3.74Å; K410-E543 PolarHBondContact NZ-OE1 3.28Å; K410-E543 IonicContact NZ-OE2 3.89Å; K410-E543 PolarHBondContact NZ-OE2 3.42Å; L411-E543 PolarHBondContact N-O 3.22Å; E543-E640 HydrophobicContact CB-CB 4.22Å; E543-E640 HydrophobicContact CG-CG 4.47Å; E543-E640 WeakPolarHBondContact OE2-CG 3.34Å |
| 544 | V | 93.3 | Very high | 88.7 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 129.8 | 172.8 | -170.8 | 0 | 0 | 0 | 0 | 108.8 | L411 L413 Y528 F540 F637 V639 E640 | L411-V544 HydrophobicContact CB-CG1 4.5Å; L411-V544 HydrophobicContact CB-CG2 4.39Å; L411-V544 HydrophobicContact CD2-CG1 4.15Å; L411-V544 HydrophobicContact CD2-CG2 4.16Å; L411-V544 HydrophobicContact CG-CG1 4.35Å; L411-V544 CarbonylContact O-C 3.57Å; L411-V544 WeakPolarHBondContact O-CA 3.32Å; L413-V544 HydrophobicContact CD1-CG1 3.85Å; L413-V544 HydrophobicContact CG-CG1 3.98Å; Y528-V544 HydrophobicContact CD2-CG2 4.31Å; Y528-V544 HydrophobicContact CE2-CG2 3.69Å; F540-V544 HydrophobicContact CE1-CG2 4.07Å; F540-V544 HydrophobicContact CZ-CG2 4.4Å; V544-F637 HydrophobicContact CB-CD2 3.97Å; V544-F637 HydrophobicContact CG1-CD2 3.64Å; V544-F637 HydrophobicContact CG1-CE2 3.75Å; V544-F637 HydrophobicContact CG2-CB 4.38Å; V544-F637 HydrophobicContact CG2-CD2 4.24Å; V544-V639 CarbonylContact O-C 3.6Å; V544-V639 WeakPolarHBondContact O-CA 3.41Å; V544-E640 PolarHBondContact O-N 3.3Å |
| 545 | S | 94.6 | Very high | 89 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 156.2 | 172.6 | -65.7 | 0 | 0 | 0 | 0 | 109.5 | L411 L412 L413 N641 L832 | L411-S545 PolarHBondContact O-N 2.87Å; L412-S545 CarbonylContact C-O 3.56Å; L412-S545 WeakPolarHBondContact CA-O 3.4Å; L413-S545 PolarHBondContact N-O 3.43Å; S545-N641 CarbonylContact C-O 3.49Å; S545-N641 WeakPolarHBondContact CA-O 3.22Å; S545-N641 WeakPolarHBondContact CB-O 3.46Å; S545-N641 PolarHBondContact OG-N 3.47Å; S545-N641 PolarHBondContact OG-ND2 3.22Å; S545-L832 WeakPolarHBondContact OG-CD2 3.38Å |
| 546 | I | 96.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.9 | -179.4 | -63.8 | 177.6 | 0 | 0 | 0 | 109.1 | L413 F415 A556 L560 L635 F637 V639 N641 L642 F643 | L413-I546 HydrophobicContact CB-CG1 4.34Å; L413-I546 WeakPolarHBondContact O-CA 3.44Å; F415-I546 HydrophobicContact CD2-CG2 3.47Å; F415-I546 VanDerWaalsContact CD2-CG2 3.47Å; F415-I546 HydrophobicContact CE2-CD1 3.74Å; F415-I546 HydrophobicContact CE2-CG1 4.05Å; F415-I546 HydrophobicContact CE2-CG2 3.78Å; F415-I546 HydrophobicContact CG-CG2 4.18Å; F415-I546 HydrophobicContact CZ-CD1 4.11Å; I546-A556 HydrophobicContact CG2-CB 3.78Å; I546-L560 HydrophobicContact CD1-CD1 4.45Å; I546-L635 HydrophobicContact CD1-CD1 4.12Å; I546-F637 HydrophobicContact CD1-CE2 4.47Å; I546-V639 HydrophobicContact CB-CG1 4.33Å; I546-V639 HydrophobicContact CD1-CB 4.46Å; I546-V639 HydrophobicContact CD1-CG1 4Å; I546-V639 HydrophobicContact CD1-CG2 3.62Å; I546-V639 HydrophobicContact CG1-CG1 3.91Å; I546-V639 HydrophobicContact CG1-CG2 4.12Å; I546-N641 PolarHBondContact N-O 2.75Å; I546-L642 HydrophobicContact CB-CD1 4.06Å; I546-L642 HydrophobicContact CG2-CD1 3.88Å; I546-L642 CarbonylContact O-C 3.59Å; I546-L642 WeakPolarHBondContact O-CA 3.37Å; I546-F643 WeakPolarHBondContact O-CD2 3.26Å; I546-F643 PolarHBondContact O-N 2.6Å |
| 547 | C | 95.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 144.8 | 159.7 | 62.3 | 0 | 0 | 0 | 0 | 109.7 | L412 L413 V414 F415 F643 F645 | L412-C547 HydrophobicContact CD1-CB 4.18Å; L413-C547 PolarHBondContact O-N 2.54Å; V414-C547 CarbonylContact C-O 3.57Å; V414-C547 VanDerWaalsContact CA-O 3.31Å; V414-C547 WeakPolarHBondContact CA-O 3.23Å; F415-C547 PolarHBondContact N-O 2.98Å; C547-F643 CarbonylContact C-O 3.32Å; C547-F643 VanDerWaalsContact CA-O 3.25Å; C547-F643 WeakPolarHBondContact CA-O 3.45Å; C547-F643 HydrophobicContact CB-CB 3.86Å; C547-F643 HydrophobicContact CB-CD2 4.47Å; C547-F645 HydrophobicContact CB-CE1 4.49Å; C547-F645 HydrophobicContact CB-CE2 3.99Å; C547-F645 HydrophobicContact CB-CZ 3.83Å |
| 548 | G | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 149.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F415 F643 F645 | F415-G548 WeakPolarHBondContact O-CA 3.39Å; G548-F643 PolarHBondContact N-O 3.03Å; G548-F645 PolarHBondContact O-N 2.78Å |
| 549 | D | 92.5 | Very high | 91 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | trans | -79.9 | -164.6 | 177.9 | 66.1 | -1.4 | 0 | 0 | 0 | 113 | F415 H416 G417 G418 V551 G552 G553 F645 T647 Y815 W819 | F415-D549 PolarHBondContact O-N 2.94Å; H416-D549 IonicContact CE1-OD2 2.72Å; H416-D549 IonicContact CG-OD2 3.63Å; H416-D549 IonicContact ND1-OD2 3.6Å; H416-D549 PolarHBondContact ND1-OD2 3.25Å; G417-D549 PolarHBondContact N-OD1 3.07Å; G417-D549 PolarHBondContact N-OD2 3.35Å; G418-D549 WeakPolarHBondContact CA-OD2 3.34Å; G418-D549 PolarHBondContact N-OD2 3.27Å; D549-V551 PolarHBondContact O-N 3.33Å; D549-V551 PolarHBondContact OD1-N 3.39Å; D549-G552 WeakPolarHBondContact OD1-CA 3.39Å; D549-G552 PolarHBondContact OD1-N 3.27Å; D549-G553 VanDerWaalsContact O-CA 3.28Å; D549-G553 WeakPolarHBondContact O-CA 3.41Å; D549-G553 PolarHBondContact O-N 3.45Å; D549-F645 CarbonylContact C-O 3.55Å; D549-T647 PolarHBondContact O-OG1 3.1Å; D549-T647 VanDerWaalsContact O-OG1 3.05Å; D549-Y815 HydrophobicContact CB-CE2 3.94Å; D549-Y815 PolarHBondContact OD2-OH 2.75Å; D549-W819 HydrophobicContact CB-CH2 4.22Å; D549-W819 HydrophobicContact CB-CZ2 3.58Å | ||
| 550 | A | 88.8 | Confident | 91.4 | Very high | 5 Ų | 5 | 12.8 Ų | 12.8 | 4% | 0.041 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -37.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I420 F645 | I420-A550 HydrophobicContact CD1-CB 3.88Å; I420-A550 HydrophobicContact CG1-CB 3.47Å; I420-A550 VanDerWaalsContact CG1-CB 3.47Å; A550-F645 PolarHBondContact N-O 3.15Å |
| 551 | V | 90.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -53.2 | 177.3 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | V469 F470 D549 G553 L554 L555 | V469-V551 HydrophobicContact CG2-CG1 4.12Å; F470-V551 HydrophobicContact CD2-CG2 3.37Å; F470-V551 HydrophobicContact CE2-CB 4.19Å; F470-V551 HydrophobicContact CE2-CG2 3.41Å; F470-V551 VanDerWaalsContact CE2-CG2 3.41Å; F470-V551 HydrophobicContact CG-CG2 4.05Å; F470-V551 HydrophobicContact CZ-CG2 4.13Å; D549-V551 PolarHBondContact O-N 3.33Å; D549-V551 PolarHBondContact OD1-N 3.39Å; V551-G553 PolarHBondContact O-N 2.77Å; V551-L554 WeakPolarHBondContact O-CB 3.11Å; V551-L554 PolarHBondContact O-N 2.97Å; V551-L555 HydrophobicContact CG1-CD1 4.14Å; V551-L555 PolarHBondContact O-N 3.3Å; V551-L555 VanDerWaalsContact O-N 3.13Å |
| 552 | G | 92.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -67.5 | -34.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113 | F415 D549 L554 L555 A556 | F415-G552 WeakPolarHBondContact CB-O 3.47Å; F415-G552 WeakPolarHBondContact O-CA 3.37Å; D549-G552 WeakPolarHBondContact OD1-CA 3.39Å; D549-G552 PolarHBondContact OD1-N 3.27Å; G552-L554 VanDerWaalsContact C-N 3.32Å; G552-L554 PolarHBondContact O-N 3.41Å; G552-L555 PolarHBondContact O-N 3.01Å; G552-A556 VanDerWaalsContact O-CB 3.25Å; G552-A556 WeakPolarHBondContact O-CB 3.35Å; G552-A556 PolarHBondContact O-N 2.94Å |
| 553 | G | 93.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.2 | -35.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D549 V551 F557 L644 | D549-G553 VanDerWaalsContact O-CA 3.28Å; D549-G553 WeakPolarHBondContact O-CA 3.41Å; D549-G553 PolarHBondContact O-N 3.45Å; V551-G553 PolarHBondContact O-N 2.77Å; G553-F557 WeakPolarHBondContact O-CB 3.4Å; G553-F557 PolarHBondContact O-N 3.45Å; G553-L644 WeakPolarHBondContact O-CD2 3.38Å |
| 554 | L | 93.2 | Very high | 86.3 | Confident | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.01 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -69.7 | -43.6 | 176.5 | -170.7 | 63.2 | 0 | 0 | 0 | 111.6 | F470 P504 T508 Y513 V551 G552 F557 D558 T647 L649 V652 | F470-L554 HydrophobicContact CE1-CD2 4.16Å; F470-L554 HydrophobicContact CZ-CD2 3.84Å; P504-L554 HydrophobicContact CB-CD2 4.36Å; T508-L554 HydrophobicContact CG2-CD2 3.75Å; Y513-L554 HydrophobicContact CE2-CD2 4.18Å; Y513-L554 HydrophobicContact CE2-CG 4.49Å; Y513-L554 WeakPolarHBondContact OH-CG 3.45Å; Y513-L554 PolarHBondContact OH-O 2.89Å; V551-L554 WeakPolarHBondContact O-CB 3.11Å; V551-L554 PolarHBondContact O-N 2.97Å; G552-L554 VanDerWaalsContact C-N 3.32Å; G552-L554 PolarHBondContact O-N 3.41Å; L554-F557 PolarHBondContact O-N 2.89Å; L554-D558 PolarHBondContact O-N 3.22Å; L554-T647 HydrophobicContact CB-CG2 3.86Å; L554-T647 HydrophobicContact CD1-CG2 4.43Å; L554-L649 HydrophobicContact CD1-CD1 3.78Å; L554-V652 HydrophobicContact CD1-CB 4.29Å; L554-V652 HydrophobicContact CD1-CG1 4.24Å; L554-V652 HydrophobicContact CD1-CG2 4.18Å; L554-V652 HydrophobicContact CD2-CG2 4.18Å |
| 555 | L | 93.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64 | -42.5 | 174.6 | -66.6 | 170.7 | 0 | 0 | 0 | 111.6 | C466 Y513 E516 L517 A520 V551 G552 D558 A559 | C466-L555 HydrophobicContact CB-CD1 3.75Å; Y513-L555 HydrophobicContact CD2-CD2 4.25Å; Y513-L555 HydrophobicContact CE2-CD2 3.65Å; Y513-L555 HydrophobicContact CE2-CG 4.5Å; E516-L555 HydrophobicContact CG-CD1 3.93Å; L517-L555 HydrophobicContact CB-CD2 4.2Å; L517-L555 HydrophobicContact CD1-CD2 4.42Å; L517-L555 VanDerWaalsContact CD1-O 3.23Å; L517-L555 WeakPolarHBondContact CD1-O 3.37Å; A520-L555 HydrophobicContact CB-CB 4.49Å; A520-L555 HydrophobicContact CB-CD1 4.28Å; V551-L555 HydrophobicContact CG1-CD1 4.14Å; V551-L555 PolarHBondContact O-N 3.3Å; V551-L555 VanDerWaalsContact O-N 3.13Å; G552-L555 PolarHBondContact O-N 3.01Å; L555-D558 PolarHBondContact O-N 3.37Å; L555-A559 VanDerWaalsContact O-CB 3.28Å; L555-A559 WeakPolarHBondContact O-CB 3.44Å; L555-A559 PolarHBondContact O-N 3.29Å |
| 556 | A | 93.7 | Very high | 80.6 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.1 | -43.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | F415 I546 G552 A559 L560 L642 | F415-A556 HydrophobicContact CB-CB 4.41Å; F415-A556 HydrophobicContact CD1-CB 3.9Å; F415-A556 HydrophobicContact CD2-CB 4.45Å; F415-A556 HydrophobicContact CE1-CB 4.21Å; F415-A556 HydrophobicContact CG-CB 4.02Å; I546-A556 HydrophobicContact CG2-CB 3.78Å; G552-A556 VanDerWaalsContact O-CB 3.25Å; G552-A556 WeakPolarHBondContact O-CB 3.35Å; G552-A556 PolarHBondContact O-N 2.94Å; A556-A559 PolarHBondContact O-N 2.91Å; A556-L560 WeakPolarHBondContact O-CG 3.39Å; A556-L560 PolarHBondContact O-N 3.46Å; A556-L560 VanDerWaalsContact O-N 3.15Å; A556-L642 HydrophobicContact CB-CD1 3.92Å |
| 557 | F | 92.8 | Very high | 77.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.3 | -49.2 | 175.2 | 178.7 | -94.2 | 0 | 0 | 0 | 111.4 | G553 L554 A559 L560 C561 L642 L649 L653 P666 C668 W787 | G553-F557 WeakPolarHBondContact O-CB 3.4Å; G553-F557 PolarHBondContact O-N 3.45Å; L554-F557 PolarHBondContact O-N 2.89Å; F557-A559 VanDerWaalsContact C-N 3.31Å; F557-A559 PolarHBondContact O-N 3.08Å; F557-L560 PolarHBondContact O-N 3.3Å; F557-C561 WeakPolarHBondContact CE1-SG 3.25Å; F557-C561 PolarHBondContact O-N 3.31Å; F557-C561 PolarHBondContact O-SG 2.67Å; F557-L642 HydrophobicContact CB-CD2 4.11Å; F557-L642 HydrophobicContact CD2-CD2 3.95Å; F557-L649 HydrophobicContact CB-CD1 4.48Å; F557-L649 HydrophobicContact CB-CD2 4.27Å; F557-L649 HydrophobicContact CD1-CD1 3.51Å; F557-L649 HydrophobicContact CD1-CD2 4.09Å; F557-L649 HydrophobicContact CD1-CG 4.48Å; F557-L649 HydrophobicContact CD2-CD1 4.46Å; F557-L649 HydrophobicContact CD2-CD2 3.51Å; F557-L649 HydrophobicContact CE1-CD1 3.8Å; F557-L649 HydrophobicContact CE1-CD2 4.36Å; F557-L649 HydrophobicContact CE2-CD2 3.83Å; F557-L649 HydrophobicContact CG-CD1 3.88Å; F557-L649 HydrophobicContact CG-CD2 3.66Å; F557-L649 HydrophobicContact CG-CG 4.47Å; F557-L649 HydrophobicContact CZ-CD1 4.39Å; F557-L649 HydrophobicContact CZ-CD2 4.24Å; F557-L653 HydrophobicContact CE1-CD2 3.94Å; F557-L653 HydrophobicContact CZ-CD1 4.44Å; F557-L653 HydrophobicContact CZ-CD2 4.3Å; F557-P666 HydrophobicContact CE1-CG 4.26Å; F557-P666 HydrophobicContact CZ-CG 4.36Å; F557-C668 HydrophobicContact CD2-CB 4.48Å; F557-C668 HydrophobicContact CE2-CB 3.97Å; F557-W787 HydrophobicContact CD2-CH2 4.46Å; F557-W787 HydrophobicContact CD2-CZ3 4.49Å; F557-W787 AromaticContact CE2-CH2 3.28Å; F557-W787 HydrophobicContact CE2-CH2 3.28Å; F557-W787 HydrophobicContact CE2-CZ2 4.07Å; F557-W787 AromaticContact CE2-CZ3 3.57Å; F557-W787 HydrophobicContact CE2-CZ3 3.57Å; F557-W787 AromaticContact CZ-CH2 3.39Å; F557-W787 HydrophobicContact CZ-CH2 3.39Å; F557-W787 AromaticContact CZ-CZ2 3.91Å; F557-W787 HydrophobicContact CZ-CZ2 3.91Å; F557-W787 HydrophobicContact CZ-CZ3 4.17Å |
| 558 | D | 91.2 | Very high | 74.2 | Confident | 22 Ų | 22 | 40.4 Ų | 40.4 | 12% | 0.118 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.7 | -30.3 | 179.6 | -78.6 | -14.2 | 0 | 0 | 0 | 113.1 | Y513 L517 L554 L555 L560 C561 R656 | Y513-D558 WeakPolarHBondContact CE1-OD2 3.3Å; Y513-D558 VanDerWaalsContact CZ-OD2 3.25Å; Y513-D558 PolarHBondContact OH-OD2 3.43Å; L517-D558 HydrophobicContact CD1-CB 4.01Å; L517-D558 HydrophobicContact CD2-CB 4.12Å; L554-D558 PolarHBondContact O-N 3.22Å; L555-D558 PolarHBondContact O-N 3.37Å; D558-L560 VanDerWaalsContact C-N 3.28Å; D558-L560 PolarHBondContact O-N 3.29Å; D558-C561 PolarHBondContact O-N 3.39Å; D558-R656 IonicContact OD1-CZ 3.63Å; D558-R656 IonicContact OD1-NH1 2.89Å; D558-R656 PolarHBondContact OD1-NH1 2.84Å; D558-R656 IonicContact OD1-NH2 3.47Å; D558-R656 PolarHBondContact OD1-NH2 3.41Å; D558-R656 IonicContact OD2-CZ 3.58Å; D558-R656 IonicContact OD2-NH1 2.76Å; D558-R656 IonicContact OD2-NH2 3.33Å; D558-R656 PolarHBondContact OD2-NH2 2.51Å |
| 559 | A | 90.2 | Very high | 70.8 | Confident | 15 Ų | 15 | 51.5 Ų | 51.5 | 12% | 0.124 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.4 | -29.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L517 V521 L555 A556 F557 L635 | L517-A559 HydrophobicContact CD1-CB 3.94Å; V521-A559 HydrophobicContact CG2-CB 3.58Å; L555-A559 VanDerWaalsContact O-CB 3.28Å; L555-A559 WeakPolarHBondContact O-CB 3.44Å; L555-A559 PolarHBondContact O-N 3.29Å; A556-A559 PolarHBondContact O-N 2.91Å; F557-A559 VanDerWaalsContact C-N 3.31Å; F557-A559 PolarHBondContact O-N 3.08Å; A559-L635 HydrophobicContact CB-CD1 4.27Å |
| 560 | L | 89.4 | Confident | 67.7 | Low | 10 Ų | 10 | 56.7 Ų | 56.7 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -86.9 | -12.4 | 177 | -69.5 | 167.6 | 0 | 0 | 0 | 113.1 | I546 A556 F557 D558 T562 L635 V639 L642 C668 N669 C670 | I546-L560 HydrophobicContact CD1-CD1 4.45Å; A556-L560 WeakPolarHBondContact O-CG 3.39Å; A556-L560 PolarHBondContact O-N 3.46Å; A556-L560 VanDerWaalsContact O-N 3.15Å; F557-L560 PolarHBondContact O-N 3.3Å; D558-L560 VanDerWaalsContact C-N 3.28Å; D558-L560 PolarHBondContact O-N 3.29Å; L560-T562 PolarHBondContact O-N 3.25Å; L560-L635 HydrophobicContact CD2-CD1 3.73Å; L560-L635 HydrophobicContact CG-CD1 4.15Å; L560-V639 HydrophobicContact CD1-CB 4.48Å; L560-V639 HydrophobicContact CD1-CG1 4.19Å; L560-V639 HydrophobicContact CD2-CB 3.78Å; L560-V639 HydrophobicContact CD2-CG1 4.38Å; L560-V639 HydrophobicContact CD2-CG2 3.72Å; L560-L642 HydrophobicContact CD1-CB 4.35Å; L560-L642 HydrophobicContact CD1-CD1 4.25Å; L560-L642 HydrophobicContact CD1-CD2 4.06Å; L560-L642 HydrophobicContact CD1-CG 4.45Å; L560-C668 WeakPolarHBondContact CB-SG 3.08Å; L560-N669 VanDerWaalsContact O-CB 3.23Å; L560-N669 WeakPolarHBondContact O-CB 3.42Å; L560-N669 PolarHBondContact O-N 2.88Å; L560-C670 HydrophobicContact CD1-CB 4.24Å |
| 561 | C | 84 | Confident | 64.7 | Low | 20 Ų | 20 | 62 Ų | 62 | 14% | 0.135 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -74.2 | 120.2 | 177.6 | -70.9 | 0 | 0 | 0 | 0 | 111.1 | F557 D558 P666 | F557-C561 WeakPolarHBondContact CE1-SG 3.25Å; F557-C561 PolarHBondContact O-N 3.31Å; F557-C561 PolarHBondContact O-SG 2.67Å; D558-C561 PolarHBondContact O-N 3.39Å; C561-P666 HydrophobicContact CB-CB 4.22Å |
| 562 | T | 62 | Low | 61.6 | Low | 85 Ų | 85 | 71.7 Ų | 71.7 | 52% | 0.521 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 131.4 | 173.1 | -46.4 | 0 | 0 | 0 | 0 | 109.8 | L560 | L560-T562 PolarHBondContact O-N 3.25Š|
| 563 | P | 49.8 | Very low | 58.5 | Low | 73 Ų | 73 | 80.3 Ų | 80.3 | 47% | 0.474 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 139.8 | 171 | 22.7 | -29.6 | 0 | 0 | 0 | 110.1 | A565 | P563-A565 PolarHBondContact O-N 3.5Š|
| 564 | P | 40.8 | Very low | 55.1 | Low | 70 Ų | 70 | 83.9 Ų | 83.9 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 135.9 | -176.2 | 20.4 | -30.5 | 0 | 0 | 0 | 111.6 | S566 | P564-S566 PolarHBondContact O-N 3.33Š|
| 565 | A | 35 | Very low | 51.8 | Low | 87 Ų | 87 | 92.8 Ų | 92.8 | 72% | 0.719 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -63.2 | 5.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | P563 F567 | P563-A565 PolarHBondContact O-N 3.5Å; A565-F567 VanDerWaalsContact C-N 3.32Å; A565-F567 PolarHBondContact O-N 3.49Å |
| 566 | S | 32.3 | Very low | 48.5 | Very low | 96 Ų | 96 | 99.6 Ų | 99.6 | 67% | 0.671 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -78.2 | -7.9 | 178.6 | 46.8 | 0 | 0 | 0 | 0 | 114.7 | P564 | P564-S566 PolarHBondContact O-N 3.33Š|
| 567 | F | 30.7 | Very low | 45 | Very low | 189 Ų | 189 | 109.5 Ų | 109.5 | 83% | 0.829 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -95.6 | -3.3 | 171.1 | -117.4 | -91.8 | 0 | 0 | 0 | 114.7 | A565 | A565-F567 VanDerWaalsContact C-N 3.32Å; A565-F567 PolarHBondContact O-N 3.49Å |
| 568 | M | 26.7 | Very low | 41.6 | Very low | 173 Ų | 173 | 115 Ų | 115 | 85% | 0.852 | 62% | 0.624 | S | S | * | * | trans | -120.3 | 54.7 | 173.2 | -70.9 | -147.3 | 154.9 | 0 | 0 | 111.4 | ||||
| 569 | R | 24.5 | Very low | 38.2 | Very low | 234 Ų | 234 | 119.7 Ų | 119.7 | 88% | 0.883 | 66% | 0.658 | S | S | * | * | trans | -105.2 | 64 | 158.4 | -83.2 | -171.4 | 174.4 | -179.9 | -0.1 | 110.4 | ||||
| 570 | S | 26.3 | Very low | 35 | Very low | 109 Ų | 109 | 123.6 Ų | 123.6 | 76% | 0.762 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -156.2 | 66.8 | 147 | 69.5 | 0 | 0 | 0 | 0 | 110.4 | ||
| 571 | S | 26.9 | Very low | 31.7 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | trans | -166.1 | 117.9 | 148.2 | -81.4 | 0 | 0 | 0 | 0 | 109 | H573 | S571-H573 PolarHBondContact O-N 3.12Å; S571-H573 VanDerWaalsContact O-N 3.17Å | ||
| 572 | K | 24.8 | Very low | 28.8 | Very low | 202 Ų | 202 | 134.6 Ų | 134.6 | 88% | 0.878 | 75% | 0.753 | S | S | * | * | trans | -61 | 110.2 | 171.7 | -70.4 | 168.4 | 174.1 | 174.5 | 0 | 108.4 | ||||
| 573 | H | 27.9 | Very low | 27 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -178.5 | 110.6 | 142.2 | -100.7 | -70.9 | 0 | 0 | 0 | 108.1 | S571 | S571-H573 PolarHBondContact O-N 3.12Å; S571-H573 VanDerWaalsContact O-N 3.17Å | ||
| 574 | G | 22.2 | Very low | 25.7 | Very low | 76 Ų | 76 | 145.9 Ų | 145.9 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | -68.5 | 132.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 575 | F | 23.7 | Very low | 24.9 | Very low | 189 Ų | 189 | 150.2 Ų | 150.2 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | trans | -123.2 | 111.6 | 168.3 | -151.8 | -97.4 | 0 | 0 | 0 | 108.9 | ||||
| 576 | I | 23.9 | Very low | 24.5 | Very low | 143 Ų | 143 | 151 Ų | 151 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | trans | -79.4 | 131.5 | 173.7 | -70.1 | 169.8 | 0 | 0 | 0 | 106.9 | T578 | I576-T578 PolarHBondContact O-N 2.91Å; I576-T578 VanDerWaalsContact O-N 3.15Å | ||
| 577 | F | 20.8 | Very low | 24 | Very low | 207 Ų | 207 | 154.4 Ų | 154.4 | 91% | 0.908 | 82% | 0.816 | S | S | * | * | trans | -60.2 | 108.2 | 171.9 | -104.5 | -98.6 | 0 | 0 | 0 | 110.4 | ||||
| 578 | T | 21 | Very low | 23.7 | Very low | 116 Ų | 116 | 152.8 Ų | 152.8 | 71% | 0.712 | 81% | 0.811 | S | S | * | * | trans | -131.7 | 122.8 | 153.1 | 44.7 | 0 | 0 | 0 | 0 | 108.9 | I576 A580 | I576-T578 PolarHBondContact O-N 2.91Å; I576-T578 VanDerWaalsContact O-N 3.15Å; T578-A580 PolarHBondContact O-N 2.88Å | ||
| 579 | S | 19.8 | Very low | 23.5 | Very low | 120 Ų | 120 | 150.7 Ų | 150.7 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -54.3 | 122.6 | 170.6 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 580 | A | 22 | Very low | 23.8 | Very low | 98 Ų | 98 | 144.5 Ų | 144.5 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -170.2 | 142.9 | 145.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | T578 | T578-A580 PolarHBondContact O-N 2.88Š| ||
| 581 | T | 20.9 | Very low | 23.6 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | trans | -62.1 | 166.1 | 172.2 | 45.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 582 | D | 22.9 | Very low | 23.5 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | 101.2 | 102.4 | 157.2 | -53.8 | -34.5 | 0 | 0 | 0 | 118.5 | ||||
| 583 | E | 23.7 | Very low | 23.4 | Very low | 194 Ų | 194 | 142.3 Ų | 142.3 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | trans | 43.3 | 108.5 | 134 | -63.5 | -162.1 | 152.6 | 0 | 0 | 119.9 | ||||
| 584 | E | 22.3 | Very low | 23.1 | Very low | 201 Ų | 201 | 140.4 Ų | 140.4 | 94% | 0.939 | 78% | 0.782 | S | S | * | * | trans | -91.5 | 123.1 | 151.3 | -74.4 | -173.8 | 153.1 | 0 | 0 | 110.1 | ||||
| 585 | N | 25.2 | Very low | 23.1 | Very low | 162 Ų | 162 | 145.7 Ų | 145.7 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | -136.5 | 132.6 | 146.3 | -146.1 | 8.8 | 0 | 0 | 0 | 107.8 | ||||
| 586 | P | 26.4 | Very low | 23 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | trans | -99.5 | 170.4 | -163.8 | 38.3 | -32.4 | 0 | 0 | 0 | 113.2 | ||||
| 587 | E | 21.7 | Very low | 22.9 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | 97.6 | 133.1 | 155.9 | -61 | -167.6 | 174.7 | 0 | 0 | 119.7 | ||||
| 588 | Q | 23.7 | Very low | 22.9 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | trans | 96.6 | 95.5 | 148.8 | -75.5 | 165.6 | 31 | 0 | 0 | 120.3 | ||||
| 589 | T | 22.8 | Very low | 22.8 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | 86.8 | 145.3 | 123 | 55.5 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 590 | P | 30.8 | Very low | 22.8 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | trans | -100.6 | 157.4 | -157.7 | 38.9 | -29.6 | 0 | 0 | 0 | 111.8 | ||||
| 591 | D | 22.3 | Very low | 22.6 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | 177.2 | 136.1 | 134.5 | -96.5 | -16.8 | 0 | 0 | 0 | 113.5 | ||||
| 592 | T | 24.3 | Very low | 22.9 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | 90.1 | 94 | 143.4 | -45.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 593 | V | 23.4 | Very low | 22.7 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 70% | 0.697 | 78% | 0.781 | S | S | * | * | 68.3 | 130.6 | 117.6 | 177.8 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 594 | N | 22.2 | Very low | 22.7 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | 85.7 | 100.2 | 148.6 | -83.9 | -9.9 | 0 | 0 | 0 | 120.9 | ||||
| 595 | Q | 22 | Very low | 22.6 | Very low | 187 Ų | 187 | 133.9 Ų | 133.9 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | 164.1 | 124.5 | 97.8 | -93.5 | 176.2 | 30.4 | 0 | 0 | 112.5 | |||||
| 596 | G | 20.1 | Very low | 22.5 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | 64.5 | 111.2 | 139.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 597 | G | 22 | Very low | 22.2 | Very low | 74 Ų | 74 | 137.3 Ų | 137.3 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | trans | 167.8 | 66.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 598 | V | 21.9 | Very low | 22.2 | Very low | 137 Ų | 137 | 135 Ų | 135 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | trans | 37.8 | 108 | 142.6 | -164.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 599 | S | 18.1 | Very low | 22.2 | Very low | 83 Ų | 83 | 132 Ų | 132 | 58% | 0.58 | 77% | 0.773 | S | S | * | * | 28.3 | 128.9 | 128.7 | -165.7 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 600 | F | 21 | Very low | 22.2 | Very low | 196 Ų | 196 | 130.8 Ų | 130.8 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | -154.9 | 131.7 | 67.7 | -100.9 | -90.6 | 0 | 0 | 0 | 113.4 | |||||
| 601 | S | 17.3 | Very low | 22 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | trans | -83.2 | 142.3 | 167.2 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 602 | L | 25.9 | Very low | 22.1 | Very low | 178 Ų | 178 | 131.1 Ų | 131.1 | 93% | 0.932 | 78% | 0.775 | S | S | * | * | trans | -144.3 | 100.6 | 147.1 | -156.1 | 80.1 | 0 | 0 | 0 | 109.7 | ||||
| 603 | D | 19.3 | Very low | 22.3 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -71.5 | 170.5 | 167.8 | -99.5 | -45.3 | 0 | 0 | 0 | 113.3 | ||||
| 604 | S | 23.9 | Very low | 22.3 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | 98.5 | 106.8 | 160.4 | 73.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 605 | K | 19.5 | Very low | 22.4 | Very low | 196 Ų | 196 | 132.3 Ų | 132.3 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | 57.5 | 120.5 | 72 | -81.1 | -173.2 | 174.6 | 178 | 0 | 113.6 | |||||
| 606 | F | 24.3 | Very low | 22.4 | Very low | 182 Ų | 182 | 128.6 Ų | 128.6 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | trans | 165 | 103.9 | 140.3 | -103.4 | -87.7 | 0 | 0 | 0 | 106.5 | ||||
| 607 | E | 20.1 | Very low | 22.9 | Very low | 155 Ų | 155 | 132.3 Ų | 132.3 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | 82.4 | 127 | 83.8 | -88.9 | -170.4 | 173.6 | 0 | 0 | 116.1 | |||||
| 608 | S | 21.5 | Very low | 23 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 68.5 | 145.3 | 146.9 | 70.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 609 | A | 24 | Very low | 23.1 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | cis | -161 | 161.5 | 19.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 610 | S | 21.9 | Very low | 23.4 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -26 | 143.9 | 165.2 | 54.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 611 | T | 27.7 | Very low | 23.5 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | -157.2 | 144.9 | 123.5 | -14.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 612 | V | 24.7 | Very low | 24 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | trans | -74.9 | 138.2 | -174.2 | 175.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 613 | D | 28.6 | Very low | 24 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 91% | 0.914 | 77% | 0.77 | S | S | * | * | trans | -146.7 | 102.3 | 148.4 | -105 | -22.1 | 0 | 0 | 0 | 109.8 | ||||
| 614 | S | 22.6 | Very low | 24.8 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -91.4 | 104.7 | 165.4 | -65.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 615 | C | 23.6 | Very low | 25.4 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 78% | 0.777 | 74% | 0.737 | S | S | * | * | trans | -158.9 | 116.6 | 156.6 | -126 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 616 | S | 23.1 | Very low | 25.9 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | trans | -10.6 | 114.6 | 156.8 | 53.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 617 | I | 30 | Very low | 26.3 | Very low | 164 Ų | 164 | 126 Ų | 126 | 84% | 0.841 | 72% | 0.722 | S | S | * | * | trans | -127.5 | 113.4 | 143.3 | -64.3 | 179.2 | 0 | 0 | 0 | 106 | E619 | I617-E619 PolarHBondContact O-N 3.47Š| ||
| 618 | L | 23.5 | Very low | 27 | Very low | 154 Ų | 154 | 123.4 Ų | 123.4 | 81% | 0.806 | 72% | 0.717 | S | S | * | * | trans | -45 | 118 | 179.2 | -72.2 | 154.7 | 0 | 0 | 0 | 111.7 | R620 | L618-R620 PolarHBondContact O-N 2.84Š| ||
| 619 | E | 24.8 | Very low | 27.7 | Very low | 191 Ų | 191 | 127.2 Ų | 127.2 | 89% | 0.893 | 72% | 0.721 | S | S | * | * | trans | -56.9 | 92.3 | 166 | -73 | 175.2 | 141.5 | 0 | 0 | 109.8 | I617 Q621 | I617-E619 PolarHBondContact O-N 3.47Å; E619-Q621 PolarHBondContact O-N 2.95Å | ||
| 620 | R | 23.8 | Very low | 28.3 | Very low | 222 Ų | 222 | 129.2 Ų | 129.2 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | trans | -79.6 | 101.2 | 163.5 | -75.4 | -174 | -170.2 | 152.1 | 3.7 | 108 | L618 S622 | L618-R620 PolarHBondContact O-N 2.84Å; R620-S622 PolarHBondContact O-N 2.83Å; R620-S622 VanDerWaalsContact O-N 3.14Å | ||
| 621 | Q | 23.7 | Very low | 29.5 | Very low | 179 Ų | 179 | 129.1 Ų | 129.1 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | trans | -46.9 | 114.2 | 168.4 | -67.4 | 172.5 | -22.4 | 0 | 0 | 109.9 | E619 T623 | E619-Q621 PolarHBondContact O-N 2.95Å; Q621-T623 PolarHBondContact O-N 2.86Å | ||
| 622 | S | 27.5 | Very low | 31 | Very low | 70 Ų | 70 | 127 Ų | 127 | 49% | 0.49 | 70% | 0.7 | S | S | . | * | trans | -72.4 | 114.1 | 172.5 | 54.8 | 0 | 0 | 0 | 0 | 108.7 | R620 L624 | R620-S622 PolarHBondContact O-N 2.83Å; R620-S622 VanDerWaalsContact O-N 3.14Å; S622-L624 PolarHBondContact O-N 2.81Å | ||
| 623 | T | 27 | Very low | 33 | Very low | 79 Ų | 79 | 122.9 Ų | 122.9 | 49% | 0.485 | 68% | 0.679 | S | S | . | * | trans | -74.5 | 50.1 | -178.9 | 58.9 | 0 | 0 | 0 | 0 | 112.9 | Q621 T625 | Q621-T623 PolarHBondContact O-N 2.86Å; T623-T625 PolarHBondContact O-N 3.01Å | ||
| 624 | L | 34.6 | Very low | 35.6 | Very low | 86 Ų | 86 | 120.3 Ų | 120.3 | 45% | 0.45 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -65.3 | 123.8 | 146.5 | -97.1 | 100.3 | 0 | 0 | 0 | 104.6 | S622 T626 | S622-L624 PolarHBondContact O-N 2.81Å; L624-T626 PolarHBondContact O-N 3.23Å; L624-T626 VanDerWaalsContact O-N 3.16Å |
| 625 | T | 37.7 | Very low | 38.7 | Very low | 51 Ų | 51 | 116.4 Ų | 116.4 | 31% | 0.313 | 64% | 0.635 | S | S | . | * | trans | -15.9 | 114.3 | 172.1 | 54.6 | 0 | 0 | 0 | 0 | 111.9 | T623 P627 R632 | T623-T625 PolarHBondContact O-N 3.01Å; T625-P627 WeakPolarHBondContact O-CD 3.12Å; T625-R632 PolarHBondContact OG1-NH2 3.48Å | ||
| 626 | T | 28.9 | Very low | 41.8 | Very low | 121 Ų | 121 | 119.1 Ų | 119.1 | 74% | 0.742 | 63% | 0.633 | S | S | * | * | trans | -39.4 | 114.1 | 177.1 | 46.5 | 0 | 0 | 0 | 0 | 109.6 | L624 T628 | L624-T626 PolarHBondContact O-N 3.23Å; L624-T626 VanDerWaalsContact O-N 3.16Å; T626-T628 VanDerWaalsContact C-N 3.28Å; T626-T628 PolarHBondContact O-N 3.04Å | ||
| 627 | P | 34 | Very low | 45 | Very low | 92 Ų | 92 | 114.3 Ų | 114.3 | 60% | 0.597 | 60% | 0.599 | S | S | * | * | trans | -70.5 | 95.3 | 174.9 | 26.9 | -28.7 | 0 | 0 | 0 | 106.3 | T625 E629 | T625-P627 WeakPolarHBondContact O-CD 3.12Å; P627-E629 PolarHBondContact O-N 3.14Å | ||
| 628 | T | 34 | Very low | 47.8 | Very low | 100 Ų | 100 | 111.7 Ų | 111.7 | 61% | 0.613 | 59% | 0.593 | S | S | * | * | trans | -49.7 | 127.4 | 147.4 | 37.2 | 0 | 0 | 0 | 0 | 106.2 | T626 N630 | T626-T628 VanDerWaalsContact C-N 3.28Å; T626-T628 PolarHBondContact O-N 3.04Å; T628-N630 PolarHBondContact O-N 2.85Å | ||
| 629 | E | 35.4 | Very low | 51 | Low | 196 Ų | 196 | 104.8 Ų | 104.8 | 92% | 0.916 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -53.4 | 9.4 | -171.4 | -67 | 179.6 | 138.9 | 0 | 0 | 116.7 | P627 A631 | P627-E629 PolarHBondContact O-N 3.14Å; E629-A631 PolarHBondContact O-N 2.78Å; E629-A631 VanDerWaalsContact O-N 3.15Å |
| 630 | N | 37.2 | Very low | 54.1 | Low | 136 Ų | 136 | 98.5 Ų | 98.5 | 73% | 0.727 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -70.5 | 111.5 | 172 | -67.6 | -11.4 | 0 | 0 | 0 | 108.6 | T628 R632 | T628-N630 PolarHBondContact O-N 2.85Å; N630-R632 PolarHBondContact O-N 3.28Å |
| 631 | A | 47.7 | Very low | 57.4 | Low | 102 Ų | 102 | 88.1 Ų | 88.1 | 84% | 0.843 | 49% | 0.489 | S | S | * | . | trans | -39.5 | 106.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | E629 A633 | E629-A631 PolarHBondContact O-N 2.78Å; E629-A631 VanDerWaalsContact O-N 3.15Å; A631-A633 PolarHBondContact O-N 3.32Å | ||
| 632 | R | 58.7 | Low | 60.8 | Low | 101 Ų | 101 | 79.6 Ų | 79.6 | 38% | 0.381 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 125.6 | 178.5 | -96.7 | -177.3 | 170.8 | 142.2 | 1.4 | 107.6 | T625 N630 L634 | T625-R632 PolarHBondContact OG1-NH2 3.48Å; N630-R632 PolarHBondContact O-N 3.28Å; R632-L634 PolarHBondContact O-N 3.35Å |
| 633 | A | 65.6 | Low | 64.1 | Low | 32 Ų | 32 | 76.3 Ų | 76.3 | 26% | 0.264 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 124.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | V521 D522 A631 | V521-A633 HydrophobicContact CB-CB 4.38Å; V521-A633 HydrophobicContact CG1-CB 3.87Å; V521-A633 VanDerWaalsContact CG1-O 3.32Å; V521-A633 WeakPolarHBondContact CG1-O 3.38Å; D522-A633 WeakPolarHBondContact OD1-CB 3.38Å; A631-A633 PolarHBondContact O-N 3.32Å |
| 634 | L | 83.8 | Confident | 67.4 | Low | 117 Ų | 117 | 72.5 Ų | 72.5 | 61% | 0.613 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -97.8 | 152.9 | 174.6 | -67.1 | 172.5 | 0 | 0 | 0 | 108.8 | N525 R632 K636 | N525-L634 PolarHBondContact ND2-O 3.32Å; R632-L634 PolarHBondContact O-N 3.35Å; L634-K636 PolarHBondContact O-N 2.84Å |
| 635 | L | 89.1 | Confident | 70.2 | Confident | 27 Ų | 27 | 68.5 Ų | 68.5 | 14% | 0.141 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -63 | 126.8 | 169.6 | -65.6 | 169.3 | 0 | 0 | 0 | 108.7 | F415 V521 A524 N525 I546 A559 L560 F637 V639 | F415-L635 HydrophobicContact CZ-CD2 4.44Å; V521-L635 HydrophobicContact CG1-CD2 4.05Å; V521-L635 HydrophobicContact CG1-CG 4.37Å; V521-L635 HydrophobicContact CG2-CD2 4.43Å; A524-L635 HydrophobicContact CB-CD2 3.68Å; N525-L635 WeakPolarHBondContact OD1-CA 3.41Å; I546-L635 HydrophobicContact CD1-CD1 4.12Å; A559-L635 HydrophobicContact CB-CD1 4.27Å; L560-L635 HydrophobicContact CD2-CD1 3.73Å; L560-L635 HydrophobicContact CG-CD1 4.15Å; L635-F637 HydrophobicContact CB-CZ 4.39Å; L635-F637 HydrophobicContact CD2-CE1 4.16Å; L635-F637 HydrophobicContact CD2-CE2 4.42Å; L635-F637 HydrophobicContact CD2-CZ 3.74Å; L635-F637 HydrophobicContact CG-CZ 4.49Å; L635-F637 PolarHBondContact O-N 2.84Å; L635-V639 HydrophobicContact CD1-CG2 4.31Å |
| 636 | K | 87 | Confident | 72.7 | Confident | 172 Ų | 172 | 66.3 Ų | 66.3 | 75% | 0.748 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -81 | 8 | -176.5 | -67.3 | -179 | -179.9 | -178.6 | 0 | 113.4 | N525 L634 | N525-K636 HydrophobicContact CB-CD 4.41Å; N525-K636 PolarHBondContact OD1-N 2.92Å; L634-K636 PolarHBondContact O-N 2.84Å |
| 637 | F | 90 | Very high | 75.6 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 4% | 0.039 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -138.1 | 145.2 | -177.5 | 51.2 | -93.8 | 0 | 0 | 0 | 110.1 | L413 A524 Y528 V544 I546 L635 V639 | L413-F637 HydrophobicContact CD1-CD2 4.5Å; L413-F637 HydrophobicContact CD1-CE1 4.01Å; L413-F637 HydrophobicContact CD1-CE2 3.53Å; L413-F637 HydrophobicContact CD1-CZ 3.22Å; A524-F637 HydrophobicContact CB-CE1 4.47Å; A524-F637 HydrophobicContact CB-CZ 4.18Å; Y528-F637 HydrophobicContact CD1-CB 4.14Å; Y528-F637 AromaticContact CD1-CD1 3.54Å; Y528-F637 HydrophobicContact CD1-CD1 3.54Å; Y528-F637 HydrophobicContact CD1-CE1 4.36Å; Y528-F637 HydrophobicContact CD1-CG 4.18Å; Y528-F637 HydrophobicContact CD2-CB 4.32Å; Y528-F637 AromaticContact CD2-CD1 3.88Å; Y528-F637 HydrophobicContact CD2-CD1 3.88Å; Y528-F637 HydrophobicContact CD2-CE1 4.41Å; Y528-F637 HydrophobicContact CD2-CG 4.07Å; Y528-F637 HydrophobicContact CE1-CB 3.79Å; Y528-F637 HydrophobicContact CE1-CD1 4.1Å; Y528-F637 HydrophobicContact CE1-CG 4.32Å; Y528-F637 HydrophobicContact CE2-CB 4.01Å; Y528-F637 HydrophobicContact CE2-CD1 4.42Å; Y528-F637 HydrophobicContact CE2-CG 4.24Å; Y528-F637 HydrophobicContact CG-CB 4.38Å; Y528-F637 AromaticContact CG-CD1 3.4Å; Y528-F637 HydrophobicContact CG-CD1 3.4Å; Y528-F637 VanDerWaalsContact CG-CD1 3.4Å; Y528-F637 AromaticContact CG-CE1 3.89Å; Y528-F637 HydrophobicContact CG-CE1 3.89Å; Y528-F637 HydrophobicContact CG-CG 4.04Å; V544-F637 HydrophobicContact CB-CD2 3.97Å; V544-F637 HydrophobicContact CG1-CD2 3.64Å; V544-F637 HydrophobicContact CG1-CE2 3.75Å; V544-F637 HydrophobicContact CG2-CB 4.38Å; V544-F637 HydrophobicContact CG2-CD2 4.24Å; I546-F637 HydrophobicContact CD1-CE2 4.47Å; L635-F637 HydrophobicContact CB-CZ 4.39Å; L635-F637 HydrophobicContact CD2-CE1 4.16Å; L635-F637 HydrophobicContact CD2-CE2 4.42Å; L635-F637 HydrophobicContact CD2-CZ 3.74Å; L635-F637 HydrophobicContact CG-CZ 4.49Å; L635-F637 PolarHBondContact O-N 2.84Å; F637-V639 HydrophobicContact CD2-CG2 3.94Å; F637-V639 HydrophobicContact CE2-CG2 3.79Å |
| 638 | P | 88.9 | Confident | 78.3 | Confident | 109 Ų | 109 | 56.3 Ų | 56.3 | 71% | 0.708 | 31% | 0.306 | S | S | * | . | trans | -71 | 142.1 | 174.8 | 30.3 | -33.9 | 0 | 0 | 0 | 110.4 | ||||
| 639 | V | 91.5 | Very high | 81 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122 | 178.6 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | V544 I546 L560 L635 F637 C670 H671 | V544-V639 CarbonylContact O-C 3.6Å; V544-V639 WeakPolarHBondContact O-CA 3.41Å; I546-V639 HydrophobicContact CB-CG1 4.33Å; I546-V639 HydrophobicContact CD1-CB 4.46Å; I546-V639 HydrophobicContact CD1-CG1 4Å; I546-V639 HydrophobicContact CD1-CG2 3.62Å; I546-V639 HydrophobicContact CG1-CG1 3.91Å; I546-V639 HydrophobicContact CG1-CG2 4.12Å; L560-V639 HydrophobicContact CD1-CB 4.48Å; L560-V639 HydrophobicContact CD1-CG1 4.19Å; L560-V639 HydrophobicContact CD2-CB 3.78Å; L560-V639 HydrophobicContact CD2-CG1 4.38Å; L560-V639 HydrophobicContact CD2-CG2 3.72Å; L635-V639 HydrophobicContact CD1-CG2 4.31Å; F637-V639 HydrophobicContact CD2-CG2 3.94Å; F637-V639 HydrophobicContact CE2-CG2 3.79Å; V639-C670 HydrophobicContact CB-CB 4.25Å; V639-C670 HydrophobicContact CG1-CB 4.07Å; V639-C670 WeakPolarHBondContact O-CA 3.44Å; V639-C670 VanDerWaalsContact O-CB 3.27Å; V639-C670 WeakPolarHBondContact O-CB 3.31Å; V639-H671 PolarHBondContact O-N 3.3Å |
| 640 | E | 90.3 | Very high | 83.7 | Confident | 58 Ų | 58 | 42.2 Ų | 42.2 | 27% | 0.271 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -57.2 | 179.4 | -166.9 | 75.9 | -174.8 | 0 | 0 | 110.7 | E543 V544 H671 N672 | E543-E640 HydrophobicContact CB-CB 4.22Å; E543-E640 HydrophobicContact CG-CG 4.47Å; E543-E640 WeakPolarHBondContact OE2-CG 3.34Å; V544-E640 PolarHBondContact O-N 3.3Å; E640-H671 HydrophobicContact CG-CB 4.21Å; E640-H671 CarbonylContact O-C 3.57Å; E640-H671 VanDerWaalsContact O-CA 3.24Å; E640-H671 WeakPolarHBondContact O-CA 3.31Å; E640-H671 WeakPolarHBondContact O-CB 3.17Å; E640-H671 PolarHBondContact O-N 3.32Å; E640-H671 IonicContact OE1-CD2 3.45Å; E640-H671 PolarHBondContact OE1-CD2 3.38Å; E640-H671 IonicContact OE1-CG 3.66Å; E640-N672 PolarHBondContact O-N 2.9Å |
| 641 | N | 93.5 | Very high | 86.2 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.027 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 138.3 | -174.6 | -58.3 | -80.4 | 0 | 0 | 0 | 111.1 | S545 I546 F643 N672 Y674 | S545-N641 CarbonylContact C-O 3.49Å; S545-N641 WeakPolarHBondContact CA-O 3.22Å; S545-N641 WeakPolarHBondContact CB-O 3.46Å; S545-N641 PolarHBondContact OG-N 3.47Å; S545-N641 PolarHBondContact OG-ND2 3.22Å; I546-N641 PolarHBondContact N-O 2.75Å; N641-F643 HydrophobicContact CB-CD2 4.37Å; N641-F643 HydrophobicContact CB-CE2 3.57Å; N641-F643 HydrophobicContact CB-CZ 3.83Å; N641-N672 WeakPolarHBondContact CA-O 3.33Å; N641-Y674 HydrophobicContact CB-CE2 3.94Å; N641-Y674 WeakPolarHBondContact OD1-CE2 3.46Å; N641-Y674 PolarHBondContact OD1-OH 2.98Å |
| 642 | L | 95.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 117.1 | 171.2 | 177.3 | 64.5 | 0 | 0 | 0 | 110 | I546 A556 F557 L560 L644 N672 V673 Y674 | I546-L642 HydrophobicContact CB-CD1 4.06Å; I546-L642 HydrophobicContact CG2-CD1 3.88Å; I546-L642 CarbonylContact O-C 3.59Å; I546-L642 WeakPolarHBondContact O-CA 3.37Å; A556-L642 HydrophobicContact CB-CD1 3.92Å; F557-L642 HydrophobicContact CB-CD2 4.11Å; F557-L642 HydrophobicContact CD2-CD2 3.95Å; L560-L642 HydrophobicContact CD1-CB 4.35Å; L560-L642 HydrophobicContact CD1-CD1 4.25Å; L560-L642 HydrophobicContact CD1-CD2 4.06Å; L560-L642 HydrophobicContact CD1-CG 4.45Å; L642-L644 HydrophobicContact CD1-CD2 4.17Å; L642-L644 HydrophobicContact CD2-CD2 4.08Å; L642-L644 HydrophobicContact CD2-CG 4.5Å; L642-L644 HydrophobicContact CG-CD2 4Å; L642-L644 HydrophobicContact CG-CG 4.31Å; L642-N672 PolarHBondContact N-O 2.93Å; L642-V673 HydrophobicContact CB-CG2 4.44Å; L642-V673 HydrophobicContact CD2-CG1 4.28Å; L642-V673 HydrophobicContact CD2-CG2 4.36Å; L642-V673 CarbonylContact O-C 3.59Å; L642-V673 WeakPolarHBondContact O-CA 3.49Å; L642-Y674 PolarHBondContact O-N 2.85Å |
| 643 | F | 96.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.3 | 175.1 | -56.3 | -87.9 | 0 | 0 | 0 | 110.4 | I546 C547 G548 N641 F645 Y674 F827 V828 Q831 L832 | I546-F643 WeakPolarHBondContact O-CD2 3.26Å; I546-F643 PolarHBondContact O-N 2.6Å; C547-F643 CarbonylContact C-O 3.32Å; C547-F643 VanDerWaalsContact CA-O 3.25Å; C547-F643 WeakPolarHBondContact CA-O 3.45Å; C547-F643 HydrophobicContact CB-CB 3.86Å; C547-F643 HydrophobicContact CB-CD2 4.47Å; G548-F643 PolarHBondContact N-O 3.03Å; N641-F643 HydrophobicContact CB-CD2 4.37Å; N641-F643 HydrophobicContact CB-CE2 3.57Å; N641-F643 HydrophobicContact CB-CZ 3.83Å; F643-F645 HydrophobicContact CB-CE1 3.94Å; F643-F645 HydrophobicContact CB-CZ 4.46Å; F643-Y674 AromaticContact CD1-CD2 3.65Å; F643-Y674 HydrophobicContact CD1-CD2 3.65Å; F643-Y674 HydrophobicContact CD1-CE2 4.45Å; F643-Y674 AromaticContact CD1-CG 3.86Å; F643-Y674 HydrophobicContact CD1-CG 3.86Å; F643-Y674 HydrophobicContact CE1-CD1 4.46Å; F643-Y674 AromaticContact CE1-CD2 3.43Å; F643-Y674 HydrophobicContact CE1-CD2 3.43Å; F643-Y674 VanDerWaalsContact CE1-CD2 3.43Å; F643-Y674 AromaticContact CE1-CE2 3.8Å; F643-Y674 HydrophobicContact CE1-CE2 3.8Å; F643-Y674 AromaticContact CE1-CG 3.81Å; F643-Y674 HydrophobicContact CE1-CG 3.81Å; F643-Y674 HydrophobicContact CG-CD2 4.38Å; F643-Y674 AromaticContact CZ-CD2 4Å; F643-Y674 HydrophobicContact CZ-CD2 4Å; F643-Y674 HydrophobicContact CZ-CE2 4.01Å; F643-F827 HydrophobicContact CD1-CE1 4.47Å; F643-F827 HydrophobicContact CE1-CE1 4.33Å; F643-V828 HydrophobicContact CD1-CG2 3.88Å; F643-V828 HydrophobicContact CD2-CG1 4.25Å; F643-V828 HydrophobicContact CE1-CB 4.45Å; F643-V828 HydrophobicContact CE1-CG1 4.43Å; F643-V828 HydrophobicContact CE1-CG2 4.17Å; F643-V828 HydrophobicContact CE2-CG1 4.02Å; F643-V828 HydrophobicContact CG-CG2 4.12Å; F643-V828 HydrophobicContact CZ-CG1 4.12Å; F643-Q831 HydrophobicContact CE1-CB 3.87Å; F643-Q831 HydrophobicContact CE1-CG 4Å; F643-Q831 HydrophobicContact CZ-CB 3.77Å; F643-Q831 HydrophobicContact CZ-CG 4.41Å; F643-L832 HydrophobicContact CE2-CD2 3.98Å; F643-L832 HydrophobicContact CE2-CG 4.33Å; F643-L832 HydrophobicContact CZ-CD2 4.3Å; F643-L832 HydrophobicContact CZ-CG 4.38Å |
| 644 | L | 96.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 120.8 | -179 | -58.2 | 173.2 | 0 | 0 | 0 | 109.2 | G553 L642 T647 L649 V673 Y674 L676 I687 | G553-L644 WeakPolarHBondContact O-CD2 3.38Å; L642-L644 HydrophobicContact CD1-CD2 4.17Å; L642-L644 HydrophobicContact CD2-CD2 4.08Å; L642-L644 HydrophobicContact CD2-CG 4.5Å; L642-L644 HydrophobicContact CG-CD2 4Å; L642-L644 HydrophobicContact CG-CG 4.31Å; L644-T647 HydrophobicContact CD2-CG2 4.46Å; L644-L649 HydrophobicContact CD1-CB 4.36Å; L644-L649 HydrophobicContact CD1-CD2 3.41Å; L644-L649 VanDerWaalsContact CD1-CD2 3.41Å; L644-V673 HydrophobicContact CD1-CG1 3.99Å; L644-Y674 PolarHBondContact N-O 2.84Å; L644-L676 WeakPolarHBondContact O-CB 3.36Å; L644-L676 PolarHBondContact O-N 2.86Å; L644-I687 HydrophobicContact CD1-CD1 4.26Å |
| 645 | F | 94.3 | Very high | 91 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 101.1 | -179.3 | -61.8 | -18.1 | 0 | 0 | 0 | 110.2 | F440 C547 G548 D549 A550 F643 T647 L676 F818 W819 V824 V828 | F440-F645 HydrophobicContact CE1-CE2 4.46Å; F440-F645 HydrophobicContact CE2-CE2 4.3Å; F440-F645 HydrophobicContact CE2-CZ 4.27Å; F440-F645 HydrophobicContact CZ-CE2 4.09Å; F440-F645 AromaticContact CZ-CZ 3.89Å; F440-F645 HydrophobicContact CZ-CZ 3.89Å; C547-F645 HydrophobicContact CB-CE1 4.49Å; C547-F645 HydrophobicContact CB-CE2 3.99Å; C547-F645 HydrophobicContact CB-CZ 3.83Å; G548-F645 PolarHBondContact O-N 2.78Å; D549-F645 CarbonylContact C-O 3.55Å; A550-F645 PolarHBondContact N-O 3.15Å; F643-F645 HydrophobicContact CB-CE1 3.94Å; F643-F645 HydrophobicContact CB-CZ 4.46Å; F645-T647 PolarHBondContact O-N 2.99Å; F645-T647 VanDerWaalsContact O-N 3.11Å; F645-L676 HydrophobicContact CD1-CB 4.41Å; F645-L676 HydrophobicContact CD1-CD2 4.29Å; F645-L676 HydrophobicContact CE1-CD2 4.13Å; F645-F818 HydrophobicContact CB-CB 3.94Å; F645-F818 HydrophobicContact CB-CD1 3.73Å; F645-F818 HydrophobicContact CB-CD2 4.28Å; F645-F818 HydrophobicContact CB-CE1 4.28Å; F645-F818 HydrophobicContact CB-CG 3.74Å; F645-F818 HydrophobicContact CD1-CD1 4.27Å; F645-F818 HydrophobicContact CD2-CB 4.22Å; F645-F818 HydrophobicContact CG-CB 4.16Å; F645-F818 HydrophobicContact CG-CD1 4.09Å; F645-F818 HydrophobicContact CG-CG 4.3Å; F645-W819 HydrophobicContact CD2-CE3 4.21Å; F645-W819 HydrophobicContact CD2-CH2 4.15Å; F645-W819 AromaticContact CD2-CZ3 3.85Å; F645-W819 HydrophobicContact CD2-CZ3 3.85Å; F645-W819 HydrophobicContact CE2-CE3 4.14Å; F645-W819 HydrophobicContact CE2-CH2 4.44Å; F645-W819 AromaticContact CE2-CZ3 3.76Å; F645-W819 HydrophobicContact CE2-CZ3 3.76Å; F645-V824 HydrophobicContact CD1-CG1 4.38Å; F645-V824 HydrophobicContact CE1-CG1 3.77Å; F645-V824 HydrophobicContact CZ-CG1 3.86Å; F645-V828 HydrophobicContact CE1-CG2 4.23Å; F645-V828 HydrophobicContact CZ-CG2 4.15Å |
| 646 | G | 89.5 | Confident | 90.9 | Very high | 5 Ų | 5 | 26.5 Ų | 26.5 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 60.1 | 23.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S648 L676 F818 | G646-S648 PolarHBondContact O-N 3.3Å; G646-L676 PolarHBondContact N-O 3.16Å; G646-F818 VanDerWaalsContact N-CZ 3.28Å |
| 647 | T | 89.9 | Confident | 90.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -72.4 | 127.3 | 179.1 | -48.5 | 0 | 0 | 0 | 0 | 109.5 | D549 L554 L644 F645 L649 | D549-T647 PolarHBondContact O-OG1 3.1Å; D549-T647 VanDerWaalsContact O-OG1 3.05Å; L554-T647 HydrophobicContact CB-CG2 3.86Å; L554-T647 HydrophobicContact CD1-CG2 4.43Å; L644-T647 HydrophobicContact CD2-CG2 4.46Å; F645-T647 PolarHBondContact O-N 2.99Å; F645-T647 VanDerWaalsContact O-N 3.11Å; T647-L649 HydrophobicContact CG2-CB 4.07Å; T647-L649 PolarHBondContact O-N 3.12Å | ||
| 648 | S | 90.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.014 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 32.3 | 176.4 | -53.7 | 0 | 0 | 0 | 0 | 114.1 | G646 G650 L651 V652 S683 | G646-S648 PolarHBondContact O-N 3.3Å; S648-G650 PolarHBondContact O-N 3.28Å; S648-L651 PolarHBondContact O-N 2.88Å; S648-V652 PolarHBondContact O-N 3.28Å; S648-V652 VanDerWaalsContact O-N 3.14Å; S648-S683 WeakPolarHBondContact CA-O 3.4Å; S648-S683 WeakPolarHBondContact CB-O 3.22Å; S648-S683 WeakPolarHBondContact OG-CB 3.42Å; S648-S683 PolarHBondContact OG-O 3.14Å |
| 649 | L | 91.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.8 | -42.8 | -171.5 | 179.8 | 59.9 | 0 | 0 | 0 | 111.7 | L554 F557 L644 T647 L651 V652 L653 I687 | L554-L649 HydrophobicContact CD1-CD1 3.78Å; F557-L649 HydrophobicContact CB-CD1 4.48Å; F557-L649 HydrophobicContact CB-CD2 4.27Å; F557-L649 HydrophobicContact CD1-CD1 3.51Å; F557-L649 HydrophobicContact CD1-CD2 4.09Å; F557-L649 HydrophobicContact CD1-CG 4.48Å; F557-L649 HydrophobicContact CD2-CD1 4.46Å; F557-L649 HydrophobicContact CD2-CD2 3.51Å; F557-L649 HydrophobicContact CE1-CD1 3.8Å; F557-L649 HydrophobicContact CE1-CD2 4.36Å; F557-L649 HydrophobicContact CE2-CD2 3.83Å; F557-L649 HydrophobicContact CG-CD1 3.88Å; F557-L649 HydrophobicContact CG-CD2 3.66Å; F557-L649 HydrophobicContact CG-CG 4.47Å; F557-L649 HydrophobicContact CZ-CD1 4.39Å; F557-L649 HydrophobicContact CZ-CD2 4.24Å; L644-L649 HydrophobicContact CD1-CB 4.36Å; L644-L649 HydrophobicContact CD1-CD2 3.41Å; L644-L649 VanDerWaalsContact CD1-CD2 3.41Å; T647-L649 HydrophobicContact CG2-CB 4.07Å; T647-L649 PolarHBondContact O-N 3.12Å; L649-L651 VanDerWaalsContact C-N 3.25Å; L649-L651 PolarHBondContact O-N 3.21Å; L649-V652 PolarHBondContact O-N 3.29Å; L649-V652 VanDerWaalsContact O-N 3.17Å; L649-L653 HydrophobicContact CD1-CD1 3.96Å; L649-L653 HydrophobicContact CD1-CD2 4.08Å; L649-L653 HydrophobicContact CD1-CG 3.73Å; L649-L653 HydrophobicContact CD2-CD1 4.33Å; L649-L653 HydrophobicContact CG-CD1 3.78Å; L649-L653 HydrophobicContact CG-CG 4.02Å; L649-L653 WeakPolarHBondContact O-CB 3.41Å; L649-L653 VanDerWaalsContact O-CG 3.3Å; L649-L653 WeakPolarHBondContact O-CG 3.39Å; L649-L653 PolarHBondContact O-N 3.21Å; L649-I687 HydrophobicContact CB-CD1 4.2Å; L649-I687 HydrophobicContact CD2-CD1 3.65Å; L649-I687 HydrophobicContact CG-CD1 4.02Å |
| 650 | G | 91 | Very high | 89 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.7 | -39.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S648 S654 L690 | S648-G650 PolarHBondContact O-N 3.28Å; G650-S654 WeakPolarHBondContact O-CB 3.39Å; G650-S654 PolarHBondContact O-N 3.45Å; G650-S654 PolarHBondContact O-OG 3.18Å; G650-L690 WeakPolarHBondContact O-CD1 3.5Å |
| 651 | L | 90.6 | Very high | 87.9 | Confident | 52 Ų | 52 | 27 Ų | 27 | 27% | 0.272 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -72.1 | -41.1 | 178.2 | -61 | 178.8 | 0 | 0 | 0 | 112.5 | V505 S648 L649 S654 S655 A685 | V505-L651 HydrophobicContact CG2-CB 4.31Å; S648-L651 PolarHBondContact O-N 2.88Å; L649-L651 VanDerWaalsContact C-N 3.25Å; L649-L651 PolarHBondContact O-N 3.21Å; L651-S654 PolarHBondContact O-N 2.82Å; L651-S655 PolarHBondContact O-N 2.97Å; L651-A685 HydrophobicContact CD2-CB 3.83Å; L651-A685 HydrophobicContact CG-CB 3.75Å |
| 652 | V | 90.7 | Very high | 86.2 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.2 | -44.7 | 175.9 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | P504 V505 T508 L554 S648 L649 S655 R656 | P504-V652 HydrophobicContact CB-CG2 3.96Å; V505-V652 HydrophobicContact CG2-CG2 4.28Å; T508-V652 HydrophobicContact CG2-CG1 3.83Å; T508-V652 HydrophobicContact CG2-CG2 4.33Å; L554-V652 HydrophobicContact CD1-CB 4.29Å; L554-V652 HydrophobicContact CD1-CG1 4.24Å; L554-V652 HydrophobicContact CD1-CG2 4.18Å; L554-V652 HydrophobicContact CD2-CG2 4.18Å; S648-V652 PolarHBondContact O-N 3.28Å; S648-V652 VanDerWaalsContact O-N 3.14Å; L649-V652 PolarHBondContact O-N 3.29Å; L649-V652 VanDerWaalsContact O-N 3.17Å; V652-S655 PolarHBondContact O-N 3.46Å; V652-R656 VanDerWaalsContact O-CG 3.3Å; V652-R656 WeakPolarHBondContact O-CG 3.46Å; V652-R656 PolarHBondContact O-N 2.91Å |
| 653 | L | 89.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.2 | -42.7 | 176.8 | -68 | 179.6 | 0 | 0 | 0 | 111.7 | F557 L649 S655 R656 Q657 L665 P666 I687 L690 W787 | F557-L653 HydrophobicContact CE1-CD2 3.94Å; F557-L653 HydrophobicContact CZ-CD1 4.44Å; F557-L653 HydrophobicContact CZ-CD2 4.3Å; L649-L653 HydrophobicContact CD1-CD1 3.96Å; L649-L653 HydrophobicContact CD1-CD2 4.08Å; L649-L653 HydrophobicContact CD1-CG 3.73Å; L649-L653 HydrophobicContact CD2-CD1 4.33Å; L649-L653 HydrophobicContact CG-CD1 3.78Å; L649-L653 HydrophobicContact CG-CG 4.02Å; L649-L653 WeakPolarHBondContact O-CB 3.41Å; L649-L653 VanDerWaalsContact O-CG 3.3Å; L649-L653 WeakPolarHBondContact O-CG 3.39Å; L649-L653 PolarHBondContact O-N 3.21Å; L653-S655 VanDerWaalsContact C-N 3.31Å; L653-S655 PolarHBondContact O-N 3.12Å; L653-R656 PolarHBondContact O-N 3.39Å; L653-R656 VanDerWaalsContact O-N 3.16Å; L653-Q657 WeakPolarHBondContact O-CB 3.5Å; L653-Q657 PolarHBondContact O-N 2.93Å; L653-L665 HydrophobicContact CB-CD2 4.02Å; L653-L665 HydrophobicContact CD1-CD1 4.34Å; L653-L665 HydrophobicContact CD2-CD2 4.24Å; L653-L665 HydrophobicContact CG-CD2 4.48Å; L653-P666 HydrophobicContact CD2-CG 4.45Å; L653-I687 HydrophobicContact CD1-CG2 4.38Å; L653-L690 HydrophobicContact CB-CD1 4.02Å; L653-W787 HydrophobicContact CD1-CH2 3.78Å; L653-W787 HydrophobicContact CD1-CZ2 4.34Å |
| 654 | S | 88.7 | Confident | 83 | Confident | 45 Ų | 45 | 41.7 Ų | 41.7 | 32% | 0.315 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.3 | -45.2 | 174.2 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | G650 L651 R656 Q657 L658 L690 | G650-S654 WeakPolarHBondContact O-CB 3.39Å; G650-S654 PolarHBondContact O-N 3.45Å; G650-S654 PolarHBondContact O-OG 3.18Å; L651-S654 PolarHBondContact O-N 2.82Å; S654-R656 PolarHBondContact O-N 3.32Å; S654-Q657 PolarHBondContact O-N 3.16Å; S654-L658 WeakPolarHBondContact O-CB 3.23Å; S654-L658 PolarHBondContact O-N 3.27Å; S654-L690 WeakPolarHBondContact OG-CD1 3.42Å; S654-L690 VanDerWaalsContact OG-CD2 3.28Å; S654-L690 WeakPolarHBondContact OG-CD2 3.28Å |
| 655 | S | 87.9 | Confident | 81.8 | Confident | 31 Ų | 31 | 42.5 Ų | 42.5 | 22% | 0.217 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 176.2 | -178.3 | 0 | 0 | 0 | 0 | 112.6 | V505 L651 V652 L653 S659 | V505-S655 WeakPolarHBondContact CG1-OG 3.45Å; L651-S655 PolarHBondContact O-N 2.97Å; V652-S655 PolarHBondContact O-N 3.46Å; L653-S655 VanDerWaalsContact C-N 3.31Å; L653-S655 PolarHBondContact O-N 3.12Å; S655-S659 WeakPolarHBondContact O-CB 3.45Å; S655-S659 PolarHBondContact O-N 3.32Å; S655-S659 PolarHBondContact O-OG 3.08Å |
| 656 | R | 85.9 | Confident | 80.6 | Confident | 56 Ų | 56 | 44.1 Ų | 44.1 | 21% | 0.211 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.9 | -40.3 | 176.9 | -72.1 | 172.2 | -178.8 | -177.8 | 0.4 | 112.3 | D558 V652 L653 S654 L658 S659 S660 | D558-R656 IonicContact OD1-CZ 3.63Å; D558-R656 IonicContact OD1-NH1 2.89Å; D558-R656 PolarHBondContact OD1-NH1 2.84Å; D558-R656 IonicContact OD1-NH2 3.47Å; D558-R656 PolarHBondContact OD1-NH2 3.41Å; D558-R656 IonicContact OD2-CZ 3.58Å; D558-R656 IonicContact OD2-NH1 2.76Å; D558-R656 IonicContact OD2-NH2 3.33Å; D558-R656 PolarHBondContact OD2-NH2 2.51Å; V652-R656 VanDerWaalsContact O-CG 3.3Å; V652-R656 WeakPolarHBondContact O-CG 3.46Å; V652-R656 PolarHBondContact O-N 2.91Å; L653-R656 PolarHBondContact O-N 3.39Å; L653-R656 VanDerWaalsContact O-N 3.16Å; S654-R656 PolarHBondContact O-N 3.32Å; R656-L658 VanDerWaalsContact C-N 3.35Å; R656-S659 PolarHBondContact O-N 3.46Å; R656-S660 WeakPolarHBondContact O-CB 3.08Å; R656-S660 PolarHBondContact O-N 3.17Å; R656-S660 PolarHBondContact O-OG 3.09Å |
| 657 | Q | 80.4 | Confident | 79.6 | Confident | 54 Ų | 54 | 45.7 Ų | 45.7 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | 175.4 | -164.8 | -178.9 | 27.9 | 0 | 0 | 110.1 | L653 S654 G661 C662 Q663 | L653-Q657 WeakPolarHBondContact O-CB 3.5Å; L653-Q657 PolarHBondContact O-N 2.93Å; S654-Q657 PolarHBondContact O-N 3.16Å; Q657-G661 PolarHBondContact O-N 3.43Å; Q657-C662 WeakPolarHBondContact CG-O 3.27Å; Q657-Q663 PolarHBondContact NE2-O 3.15Å |
| 658 | L | 82 | Confident | 79.1 | Confident | 153 Ų | 153 | 46 Ų | 46 | 80% | 0.801 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.3 | -42.3 | 174.7 | -173.3 | 66.9 | 0 | 0 | 0 | 112.4 | S654 R656 | S654-L658 WeakPolarHBondContact O-CB 3.23Å; S654-L658 PolarHBondContact O-N 3.27Å; R656-L658 VanDerWaalsContact C-N 3.35Å |
| 659 | S | 81.6 | Confident | 78.7 | Confident | 58 Ų | 58 | 51.4 Ų | 51.4 | 41% | 0.406 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69 | -42.9 | -179.2 | -58.1 | 0 | 0 | 0 | 0 | 112.8 | K509 S655 R656 | K509-S659 PolarHBondContact NZ-OG 2.85Å; S655-S659 WeakPolarHBondContact O-CB 3.45Å; S655-S659 PolarHBondContact O-N 3.32Å; S655-S659 PolarHBondContact O-OG 3.08Å; R656-S659 PolarHBondContact O-N 3.46Å |
| 660 | S | 74.8 | Confident | 78.4 | Confident | 36 Ų | 36 | 52.2 Ų | 52.2 | 25% | 0.252 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -84.2 | -21.5 | -174.9 | 61.9 | 0 | 0 | 0 | 0 | 113.1 | R656 C662 | R656-S660 WeakPolarHBondContact O-CB 3.08Å; R656-S660 PolarHBondContact O-N 3.17Å; R656-S660 PolarHBondContact O-OG 3.09Å; S660-C662 PolarHBondContact O-N 3.31Å; S660-C662 VanDerWaalsContact O-N 3.11Å; S660-C662 PolarHBondContact OG-N 3.47Å |
| 661 | G | 65.9 | Low | 78 | Confident | 65 Ų | 65 | 56.7 Ų | 56.7 | 67% | 0.67 | 33% | 0.332 | S | S | * | . | trans | 65.1 | 4.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q657 | Q657-G661 PolarHBondContact O-N 3.43Š| ||
| 662 | C | 58.3 | Low | 78 | Confident | 56 Ų | 56 | 54.5 Ų | 54.5 | 38% | 0.378 | 32% | 0.321 | S | S | . | . | trans | -89.1 | 126 | 179.9 | -168.2 | 0 | 0 | 0 | 0 | 109.1 | Q657 S660 T664 | Q657-C662 WeakPolarHBondContact CG-O 3.27Å; S660-C662 PolarHBondContact O-N 3.31Å; S660-C662 VanDerWaalsContact O-N 3.11Å; S660-C662 PolarHBondContact OG-N 3.47Å; C662-T664 VanDerWaalsContact C-N 3.29Å; C662-T664 PolarHBondContact O-N 3.29Å; C662-T664 PolarHBondContact SG-OG1 3.23Å | ||
| 663 | Q | 60.5 | Low | 78.1 | Confident | 171 Ų | 171 | 54.5 Ų | 54.5 | 80% | 0.799 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -73.4 | -21.5 | 178.8 | -69.5 | -176.1 | -1.4 | 0 | 0 | 112.7 | Q657 | Q657-Q663 PolarHBondContact NE2-O 3.15Š|
| 664 | T | 63.1 | Low | 78.3 | Confident | 88 Ų | 88 | 54.5 Ų | 54.5 | 54% | 0.54 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -86.2 | 121.4 | -178.4 | 58.1 | 0 | 0 | 0 | 0 | 111.2 | C662 | C662-T664 VanDerWaalsContact C-N 3.29Å; C662-T664 PolarHBondContact O-N 3.29Å; C662-T664 PolarHBondContact SG-OG1 3.23Å |
| 665 | L | 71 | Confident | 78.6 | Confident | 17 Ų | 17 | 52.4 Ų | 52.4 | 9% | 0.089 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 153.7 | 172.7 | -68.7 | 175.2 | 0 | 0 | 0 | 111.1 | L653 L690 L691 W787 | L653-L665 HydrophobicContact CB-CD2 4.02Å; L653-L665 HydrophobicContact CD1-CD1 4.34Å; L653-L665 HydrophobicContact CD2-CD2 4.24Å; L653-L665 HydrophobicContact CG-CD2 4.48Å; L665-L690 HydrophobicContact CD1-CB 3.91Å; L665-L691 HydrophobicContact CB-CD2 4.43Å; L665-L691 HydrophobicContact CD1-CD2 3.61Å; L665-L691 HydrophobicContact CD1-CG 4.28Å; L665-W787 HydrophobicContact CB-CZ2 4.35Å; L665-W787 HydrophobicContact CD1-CZ2 4.49Å |
| 666 | P | 69.6 | Low | 79 | Confident | 36 Ų | 36 | 51 Ų | 51 | 23% | 0.234 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 140.4 | 177.8 | 26.7 | -34.2 | 0 | 0 | 0 | 110.9 | F557 C561 L653 | F557-P666 HydrophobicContact CE1-CG 4.26Å; F557-P666 HydrophobicContact CZ-CG 4.36Å; C561-P666 HydrophobicContact CB-CB 4.22Å; L653-P666 HydrophobicContact CD2-CG 4.45Å |
| 667 | A | 68.6 | Low | 79.3 | Confident | 38 Ų | 38 | 48.9 Ų | 48.9 | 31% | 0.314 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -76 | 128 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | W786 | A667-W786 HydrophobicContact CB-CB 4.42Å; A667-W786 HydrophobicContact CB-CG 4.18Å |
| 668 | C | 79.5 | Confident | 79.7 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -89.3 | 121.9 | 176.1 | -170.4 | 0 | 0 | 0 | 0 | 108.4 | F557 L560 C670 V673 W786 | F557-C668 HydrophobicContact CD2-CB 4.48Å; F557-C668 HydrophobicContact CE2-CB 3.97Å; L560-C668 WeakPolarHBondContact CB-SG 3.08Å; C668-C670 PolarHBondContact O-N 2.79Å; C668-C670 PolarHBondContact SG-SG 3.5Å; C668-V673 HydrophobicContact CB-CG2 4.26Å; C668-W786 PolarHBondContact N-O 3.19Å |
| 669 | N | 82.4 | Confident | 79.8 | Confident | 115 Ų | 115 | 42.6 Ų | 42.6 | 62% | 0.615 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -78.2 | 59 | -178.6 | -168 | 31.5 | 0 | 0 | 0 | 111.7 | L560 | L560-N669 VanDerWaalsContact O-CB 3.23Å; L560-N669 WeakPolarHBondContact O-CB 3.42Å; L560-N669 PolarHBondContact O-N 2.88Å |
| 670 | C | 84.9 | Confident | 79.8 | Confident | 17 Ų | 17 | 41.2 Ų | 41.2 | 12% | 0.115 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 159.1 | 170.9 | 64.7 | 0 | 0 | 0 | 0 | 111.1 | L560 V639 C668 V673 | L560-C670 HydrophobicContact CD1-CB 4.24Å; V639-C670 HydrophobicContact CB-CB 4.25Å; V639-C670 HydrophobicContact CG1-CB 4.07Å; V639-C670 WeakPolarHBondContact O-CA 3.44Å; V639-C670 VanDerWaalsContact O-CB 3.27Å; V639-C670 WeakPolarHBondContact O-CB 3.31Å; C668-C670 PolarHBondContact O-N 2.79Å; C668-C670 PolarHBondContact SG-SG 3.5Å; C670-V673 VanDerWaalsContact SG-CG2 3.6Å |
| 671 | H | 83.3 | Confident | 80.2 | Confident | 95 Ų | 95 | 40.1 Ų | 40.1 | 44% | 0.44 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | -39.9 | -178.2 | -170.4 | -49.7 | 0 | 0 | 0 | 113 | V639 E640 G788 | V639-H671 PolarHBondContact O-N 3.3Å; E640-H671 HydrophobicContact CG-CB 4.21Å; E640-H671 CarbonylContact O-C 3.57Å; E640-H671 VanDerWaalsContact O-CA 3.24Å; E640-H671 WeakPolarHBondContact O-CA 3.31Å; E640-H671 WeakPolarHBondContact O-CB 3.17Å; E640-H671 PolarHBondContact O-N 3.32Å; E640-H671 IonicContact OE1-CD2 3.45Å; E640-H671 PolarHBondContact OE1-CD2 3.38Å; E640-H671 IonicContact OE1-CG 3.66Å; H671-G788 WeakPolarHBondContact O-CA 3.18Å |
| 672 | N | 89.5 | Confident | 80.8 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 145.2 | 175.3 | -62.1 | -75 | 0 | 0 | 0 | 112.7 | E640 N641 L642 Y674 G788 S789 | E640-N672 PolarHBondContact O-N 2.9Å; N641-N672 WeakPolarHBondContact CA-O 3.33Å; L642-N672 PolarHBondContact N-O 2.93Å; N672-Y674 HydrophobicContact CB-CD2 4.42Å; N672-Y674 HydrophobicContact CB-CE2 3.57Å; N672-G788 WeakPolarHBondContact OD1-CA 3.41Å; N672-S789 PolarHBondContact OD1-N 2.82Å; N672-S789 VanDerWaalsContact OD1-N 3.14Å |
| 673 | V | 92.2 | Very high | 81.8 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 132.4 | 171.5 | -176 | 0 | 0 | 0 | 0 | 110.4 | L642 L644 C668 C670 W787 I792 | L642-V673 HydrophobicContact CB-CG2 4.44Å; L642-V673 HydrophobicContact CD2-CG1 4.28Å; L642-V673 HydrophobicContact CD2-CG2 4.36Å; L642-V673 CarbonylContact O-C 3.59Å; L642-V673 WeakPolarHBondContact O-CA 3.49Å; L644-V673 HydrophobicContact CD1-CG1 3.99Å; C668-V673 HydrophobicContact CB-CG2 4.26Å; C670-V673 VanDerWaalsContact SG-CG2 3.6Å; V673-W787 HydrophobicContact CB-CE3 3.92Å; V673-W787 HydrophobicContact CB-CZ3 4.38Å; V673-W787 HydrophobicContact CG1-CE3 4.13Å; V673-W787 HydrophobicContact CG1-CZ3 4.11Å; V673-W787 HydrophobicContact CG2-CE3 3.86Å; V673-W787 HydrophobicContact CG2-CZ3 4.32Å; V673-W787 PolarHBondContact N-O 3.44Å; V673-W787 VanDerWaalsContact N-O 3.09Å; V673-I792 HydrophobicContact CG1-CG2 4.46Å |
| 674 | Y | 94.6 | Very high | 83 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 115.5 | 176.6 | -52.5 | -95.5 | 0 | 0 | 0 | 109.5 | N641 L642 F643 L644 N672 K790 Y794 F827 Q831 | N641-Y674 HydrophobicContact CB-CE2 3.94Å; N641-Y674 WeakPolarHBondContact OD1-CE2 3.46Å; N641-Y674 PolarHBondContact OD1-OH 2.98Å; L642-Y674 PolarHBondContact O-N 2.85Å; F643-Y674 AromaticContact CD1-CD2 3.65Å; F643-Y674 HydrophobicContact CD1-CD2 3.65Å; F643-Y674 HydrophobicContact CD1-CE2 4.45Å; F643-Y674 AromaticContact CD1-CG 3.86Å; F643-Y674 HydrophobicContact CD1-CG 3.86Å; F643-Y674 HydrophobicContact CE1-CD1 4.46Å; F643-Y674 AromaticContact CE1-CD2 3.43Å; F643-Y674 HydrophobicContact CE1-CD2 3.43Å; F643-Y674 VanDerWaalsContact CE1-CD2 3.43Å; F643-Y674 AromaticContact CE1-CE2 3.8Å; F643-Y674 HydrophobicContact CE1-CE2 3.8Å; F643-Y674 AromaticContact CE1-CG 3.81Å; F643-Y674 HydrophobicContact CE1-CG 3.81Å; F643-Y674 HydrophobicContact CG-CD2 4.38Å; F643-Y674 AromaticContact CZ-CD2 4Å; F643-Y674 HydrophobicContact CZ-CD2 4Å; F643-Y674 HydrophobicContact CZ-CE2 4.01Å; L644-Y674 PolarHBondContact N-O 2.84Å; N672-Y674 HydrophobicContact CB-CD2 4.42Å; N672-Y674 HydrophobicContact CB-CE2 3.57Å; Y674-K790 HydrophobicContact CE1-CD 3.98Å; Y674-K790 WeakPolarHBondContact OH-CD 3.25Å; Y674-K790 PolarHBondContact OH-NZ 3.36Å; Y674-Y794 HydrophobicContact CD1-CD2 4.27Å; Y674-Y794 AromaticContact CD1-CE2 3.48Å; Y674-Y794 HydrophobicContact CD1-CE2 3.48Å; Y674-Y794 VanDerWaalsContact CD1-CE2 3.48Å; Y674-Y794 AromaticContact CD1-CZ 3.8Å; Y674-Y794 HydrophobicContact CE1-CE2 4.38Å; Y674-Y794 HydrophobicContact CG-CE2 4.28Å; Y674-F827 HydrophobicContact CD1-CE1 4.01Å; Y674-F827 AromaticContact CD1-CZ 3.83Å; Y674-F827 HydrophobicContact CD1-CZ 3.83Å; Y674-F827 HydrophobicContact CE1-CZ 4.38Å; Y674-F827 HydrophobicContact CG-CE1 4.35Å; Y674-Q831 HydrophobicContact CD1-CG 4.22Å; Y674-Q831 HydrophobicContact CE1-CB 4.38Å; Y674-Q831 HydrophobicContact CE1-CG 3.65Å; Y674-Q831 HydrophobicContact CE2-CB 4.46Å; Y674-Q831 HydrophobicContact CE2-CG 4.49Å; Y674-Q831 PolarHBondContact OH-OE1 3.23Å |
| 675 | N | 95.2 | Very high | 84.3 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 102.9 | 176.7 | -178.4 | 38.9 | 0 | 0 | 0 | 110.2 | A685 I687 I792 D793 Y794 | N675-A685 PolarHBondContact ND2-O 2.85Å; N675-I687 HydrophobicContact CB-CD1 3.83Å; N675-I687 HydrophobicContact CB-CG1 4.43Å; N675-I792 HydrophobicContact CB-CG2 4.13Å; N675-I792 WeakPolarHBondContact CB-O 3.04Å; N675-I792 PolarHBondContact N-O 3.17Å; N675-D793 PolarHBondContact ND2-OD1 3.34Å; N675-Y794 PolarHBondContact O-N 3.01Å |
| 676 | L | 95.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 124.8 | 179.2 | -72.6 | 72.4 | 0 | 0 | 0 | 109.8 | L644 F645 G646 I703 Y794 F818 V824 F827 | L644-L676 WeakPolarHBondContact O-CB 3.36Å; L644-L676 PolarHBondContact O-N 2.86Å; F645-L676 HydrophobicContact CD1-CB 4.41Å; F645-L676 HydrophobicContact CD1-CD2 4.29Å; F645-L676 HydrophobicContact CE1-CD2 4.13Å; G646-L676 PolarHBondContact N-O 3.16Å; L676-I703 HydrophobicContact CD2-CD1 3.62Å; L676-I703 HydrophobicContact CG-CD1 3.77Å; L676-Y794 WeakPolarHBondContact CA-O 3.23Å; L676-F818 HydrophobicContact CB-CE1 4.13Å; L676-F818 WeakPolarHBondContact O-CE1 3.48Å; L676-V824 HydrophobicContact CD2-CG1 3.99Å; L676-V824 HydrophobicContact CD2-CG2 4.41Å; L676-F827 HydrophobicContact CD1-CD1 4.4Å; L676-F827 HydrophobicContact CD1-CE1 4.05Å; L676-F827 HydrophobicContact CD2-CD1 4.03Å; L676-F827 HydrophobicContact CD2-CE1 4.47Å |
| 677 | Y | 93 | Very high | 86.3 | Confident | 13 Ų | 13 | 25.9 Ų | 25.9 | 5% | 0.051 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 163.4 | -179.1 | 65 | -83.4 | 0 | 0 | 0 | 113.5 | R686 S700 D793 Y794 E795 L796 | Y677-R686 HydrophobicContact CE1-CG 4.18Å; Y677-R686 HydrophobicContact CE2-CG 4.47Å; Y677-R686 WeakPolarHBondContact OH-CD 3.17Å; Y677-R686 WeakPolarHBondContact OH-CG 3.49Å; Y677-S700 WeakPolarHBondContact OH-CB 3.47Å; Y677-S700 PolarHBondContact OH-OG 3.43Å; Y677-D793 HydrophobicContact CE1-CB 4.03Å; Y677-Y794 WeakPolarHBondContact CD1-O 3.14Å; Y677-Y794 PolarHBondContact N-O 3.17Å; Y677-E795 WeakPolarHBondContact O-CA 3.15Å; Y677-L796 PolarHBondContact O-N 2.94Å |
| 678 | Y | 89.1 | Confident | 87.3 | Confident | 10 Ų | 10 | 24.1 Ų | 24.1 | 4% | 0.039 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.9 | 167.1 | -70.6 | -78.8 | 0 | 0 | 0 | 109.3 | S680 D681 L796 A798 F814 S817 F818 | Y678-S680 PolarHBondContact O-N 3.28Å; Y678-S680 VanDerWaalsContact O-N 3.17Å; Y678-D681 WeakPolarHBondContact O-CB 3.26Å; Y678-D681 PolarHBondContact O-N 3.24Å; Y678-L796 HydrophobicContact CD1-CB 3.7Å; Y678-L796 HydrophobicContact CD2-CD1 4.32Å; Y678-L796 HydrophobicContact CE1-CB 3.41Å; Y678-L796 VanDerWaalsContact CE1-CB 3.41Å; Y678-L796 HydrophobicContact CE1-CD1 4.22Å; Y678-L796 HydrophobicContact CE1-CG 4.42Å; Y678-L796 HydrophobicContact CE2-CB 4.38Å; Y678-L796 HydrophobicContact CE2-CD1 3.74Å; Y678-L796 HydrophobicContact CG-CB 4.33Å; Y678-A798 HydrophobicContact CD1-CB 3.8Å; Y678-A798 HydrophobicContact CE1-CB 4.36Å; Y678-F814 AromaticContact CD1-CD1 3.89Å; Y678-F814 HydrophobicContact CD1-CD1 3.89Å; Y678-F814 AromaticContact CD1-CE1 3.98Å; Y678-F814 HydrophobicContact CD1-CE1 3.98Å; Y678-F814 HydrophobicContact CD2-CB 3.65Å; Y678-F814 AromaticContact CD2-CD1 3.48Å; Y678-F814 HydrophobicContact CD2-CD1 3.48Å; Y678-F814 VanDerWaalsContact CD2-CD1 3.48Å; Y678-F814 HydrophobicContact CD2-CE1 4.33Å; Y678-F814 AromaticContact CD2-CG 3.71Å; Y678-F814 HydrophobicContact CD2-CG 3.71Å; Y678-F814 HydrophobicContact CE1-CD1 4.24Å; Y678-F814 HydrophobicContact CE2-CB 4.08Å; Y678-F814 AromaticContact CE2-CD1 3.89Å; Y678-F814 HydrophobicContact CE2-CD1 3.89Å; Y678-F814 HydrophobicContact CE2-CG 4.34Å; Y678-F814 HydrophobicContact CG-CB 4.4Å; Y678-F814 AromaticContact CG-CD1 3.47Å; Y678-F814 HydrophobicContact CG-CD1 3.47Å; Y678-F814 VanDerWaalsContact CG-CD1 3.47Å; Y678-F814 AromaticContact CG-CE1 3.86Å; Y678-F814 HydrophobicContact CG-CE1 3.86Å; Y678-F814 AromaticContact CG-CG 3.95Å; Y678-F814 HydrophobicContact CG-CG 3.95Å; Y678-S817 WeakPolarHBondContact OH-CB 3.15Å; Y678-S817 PolarHBondContact OH-OG 3.36Å; Y678-F818 HydrophobicContact CD2-CE1 4.42Å; Y678-F818 AromaticContact CD2-CE2 4Å; Y678-F818 HydrophobicContact CD2-CE2 4Å; Y678-F818 AromaticContact CD2-CZ 3.74Å; Y678-F818 HydrophobicContact CD2-CZ 3.74Å; Y678-F818 HydrophobicContact CE2-CD2 4.44Å; Y678-F818 HydrophobicContact CE2-CE1 4.16Å; Y678-F818 AromaticContact CE2-CE2 3.98Å; Y678-F818 HydrophobicContact CE2-CE2 3.98Å; Y678-F818 AromaticContact CE2-CZ 3.82Å; Y678-F818 HydrophobicContact CE2-CZ 3.82Å |
| 679 | A | 84.3 | Confident | 87.7 | Confident | 65 Ų | 65 | 25.6 Ų | 25.6 | 54% | 0.537 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -26.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | D681 E795 | A679-D681 VanDerWaalsContact C-N 3.34Å; A679-E795 HydrophobicContact CB-CG 4.24Å |
| 680 | S | 81.3 | Confident | 87.8 | Confident | 29 Ų | 29 | 21.9 Ų | 21.9 | 20% | 0.203 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -8.8 | 176.7 | -52 | 0 | 0 | 0 | 0 | 114.1 | Y678 | Y678-S680 PolarHBondContact O-N 3.28Å; Y678-S680 VanDerWaalsContact O-N 3.17Å |
| 681 | D | 82.8 | Confident | 87.7 | Confident | 12 Ų | 12 | 22.5 Ų | 22.5 | 6% | 0.064 | 13% | 0.132 | C | C | . | . | trans | -84 | 122.7 | 178.3 | 179.9 | 41.4 | 0 | 0 | 0 | 111.4 | Y678 A679 S683 S684 S811 F814 | Y678-D681 WeakPolarHBondContact O-CB 3.26Å; Y678-D681 PolarHBondContact O-N 3.24Å; A679-D681 VanDerWaalsContact C-N 3.34Å; D681-S683 VanDerWaalsContact C-N 3.31Å; D681-S683 VanDerWaalsContact CG-OG 3.22Å; D681-S683 PolarHBondContact O-N 2.9Å; D681-S683 PolarHBondContact OD1-OG 3.36Å; D681-S683 PolarHBondContact OD2-OG 3.06Å; D681-S684 PolarHBondContact O-N 2.9Å; D681-S684 PolarHBondContact OD2-N 2.94Å; D681-S684 PolarHBondContact OD2-OG 2.72Å; D681-S811 PolarHBondContact OD1-OG 2.94Å; D681-F814 HydrophobicContact CB-CD2 3.72Å; D681-F814 HydrophobicContact CB-CE2 4.17Å; D681-F814 HydrophobicContact CB-CG 4.48Å | ||
| 682 | S | 77.4 | Confident | 87.5 | Confident | 36 Ų | 36 | 18.5 Ų | 18.5 | 25% | 0.252 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -20.1 | -177.2 | 64 | 0 | 0 | 0 | 0 | 115 | ||
| 683 | S | 80.3 | Confident | 87 | Confident | 4 Ų | 4 | 25.6 Ų | 25.6 | 3% | 0.028 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -15.3 | 176.3 | 30.6 | 0 | 0 | 0 | 0 | 113.4 | I420 S648 D681 | I420-S683 VanDerWaalsContact CD1-CB 3.49Å; S648-S683 WeakPolarHBondContact CA-O 3.4Å; S648-S683 WeakPolarHBondContact CB-O 3.22Å; S648-S683 WeakPolarHBondContact OG-CB 3.42Å; S648-S683 PolarHBondContact OG-O 3.14Å; D681-S683 VanDerWaalsContact C-N 3.31Å; D681-S683 VanDerWaalsContact CG-OG 3.22Å; D681-S683 PolarHBondContact O-N 2.9Å; D681-S683 PolarHBondContact OD1-OG 3.36Å; D681-S683 PolarHBondContact OD2-OG 3.06Å |
| 684 | S | 85.4 | Confident | 86.1 | Confident | 18 Ų | 18 | 27.3 Ų | 27.3 | 13% | 0.126 | 15% | 0.154 | C | C | . | . | trans | -91.2 | 143.4 | -175.1 | -68.7 | 0 | 0 | 0 | 0 | 111.8 | D681 | D681-S684 PolarHBondContact O-N 2.9Å; D681-S684 PolarHBondContact OD2-N 2.94Å; D681-S684 PolarHBondContact OD2-OG 2.72Å | ||
| 685 | A | 89.6 | Confident | 85.5 | Confident | 21 Ų | 21 | 27.5 Ų | 27.5 | 17% | 0.174 | 16% | 0.155 | C | C | . | . | trans | -146.7 | 152.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L651 N675 | L651-A685 HydrophobicContact CD2-CB 3.83Å; L651-A685 HydrophobicContact CG-CB 3.75Å; N675-A685 PolarHBondContact ND2-O 2.85Å | ||
| 686 | R | 92 | Very high | 84.9 | Confident | 55 Ų | 55 | 30.8 Ų | 30.8 | 21% | 0.208 | 18% | 0.178 | C | C | . | . | trans | -70.5 | 143.9 | 175 | -76 | -170.2 | 65.2 | -173.2 | 1.4 | 112.2 | Y677 E688 P689 F695 I698 D793 | Y677-R686 HydrophobicContact CE1-CG 4.18Å; Y677-R686 HydrophobicContact CE2-CG 4.47Å; Y677-R686 WeakPolarHBondContact OH-CD 3.17Å; Y677-R686 WeakPolarHBondContact OH-CG 3.49Å; R686-E688 IonicContact CZ-OE2 2.92Å; R686-E688 IonicContact NH2-OE2 2.74Å; R686-E688 PolarHBondContact NH2-OE2 3.07Å; R686-P689 HydrophobicContact CB-CG 4.05Å; R686-F695 PolarHBondContact NH2-O 3.48Å; R686-F695 VanDerWaalsContact NH2-O 3.16Å; R686-I698 PolarHBondContact NH1-O 2.65Å; R686-I698 PolarHBondContact NH2-O 2.81Å; R686-D793 WeakPolarHBondContact CA-OD1 3.23Å; R686-D793 WeakPolarHBondContact CB-OD2 3.29Å; R686-D793 HydrophobicContact CG-CB 4.35Å; R686-D793 WeakPolarHBondContact CG-OD2 3.41Å; R686-D793 IonicContact CZ-OD2 3.84Å; R686-D793 IonicContact NE-OD2 3.34Å; R686-D793 PolarHBondContact NE-OD2 3.36Å; R686-D793 IonicContact NH2-OD2 3.86Å | ||
| 687 | I | 90.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -101.3 | -36.7 | 178.1 | -60.3 | 175.9 | 0 | 0 | 0 | 111.1 | L644 L649 L653 N675 P689 L690 L691 W787 I792 D793 | L644-I687 HydrophobicContact CD1-CD1 4.26Å; L649-I687 HydrophobicContact CB-CD1 4.2Å; L649-I687 HydrophobicContact CD2-CD1 3.65Å; L649-I687 HydrophobicContact CG-CD1 4.02Å; L653-I687 HydrophobicContact CD1-CG2 4.38Å; N675-I687 HydrophobicContact CB-CD1 3.83Å; N675-I687 HydrophobicContact CB-CG1 4.43Å; I687-P689 VanDerWaalsContact C-CD 3.43Å; I687-P689 VanDerWaalsContact C-N 3.34Å; I687-L690 WeakPolarHBondContact O-CB 3.5Å; I687-L690 PolarHBondContact O-N 2.88Å; I687-L691 HydrophobicContact CG2-CD1 4.33Å; I687-L691 HydrophobicContact CG2-CG 4.46Å; I687-L691 PolarHBondContact O-N 3.45Å; I687-W787 HydrophobicContact CD1-CZ3 4.38Å; I687-W787 HydrophobicContact CG2-CE3 4.38Å; I687-W787 HydrophobicContact CG2-CH2 3.99Å; I687-W787 HydrophobicContact CG2-CZ3 3.84Å; I687-I792 HydrophobicContact CB-CG2 4.19Å; I687-I792 HydrophobicContact CD1-CG2 4.33Å; I687-I792 HydrophobicContact CG2-CG2 4.42Å; I687-D793 PolarHBondContact N-OD1 3.4Å; I687-D793 PolarHBondContact N-OD2 2.79Å; I687-D793 VanDerWaalsContact N-OD2 3.14Å |
| 688 | E | 89.7 | Confident | 83.4 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54 | -42.9 | -175.1 | -62.3 | 173.9 | 157.5 | 0 | 0 | 113.1 | R686 L690 L691 L692 F695 R791 I792 D793 | R686-E688 IonicContact CZ-OE2 2.92Å; R686-E688 IonicContact NH2-OE2 2.74Å; R686-E688 PolarHBondContact NH2-OE2 3.07Å; E688-L690 PolarHBondContact O-N 2.79Å; E688-L690 VanDerWaalsContact O-N 3.17Å; E688-L691 WeakPolarHBondContact O-CB 3.27Å; E688-L691 PolarHBondContact O-N 2.9Å; E688-L691 VanDerWaalsContact O-N 3.07Å; E688-L692 PolarHBondContact O-N 3.26Å; E688-L692 VanDerWaalsContact O-N 3.16Å; E688-F695 HydrophobicContact CB-CB 3.64Å; E688-F695 HydrophobicContact CB-CD1 4.49Å; E688-F695 HydrophobicContact CB-CD2 4.02Å; E688-F695 HydrophobicContact CB-CG 3.83Å; E688-F695 WeakPolarHBondContact O-CD2 3.16Å; E688-R791 IonicContact OE1-CZ 2.75Å; E688-R791 IonicContact OE1-NE 2.97Å; E688-R791 PolarHBondContact OE1-NE 2.88Å; E688-R791 IonicContact OE1-NH2 3.6Å; E688-R791 PolarHBondContact OE1-NH2 3.38Å; E688-R791 IonicContact OE2-CZ 3.53Å; E688-R791 IonicContact OE2-NE 3.74Å; E688-R791 IonicContact OE2-NH2 2.69Å; E688-R791 PolarHBondContact OE2-NH2 2.83Å; E688-I792 HydrophobicContact CG-CB 3.89Å; E688-I792 PolarHBondContact OE1-N 2.81Å; E688-D793 WeakPolarHBondContact CB-OD2 3.5Å; E688-D793 HydrophobicContact CG-CB 4.12Å; E688-D793 VanDerWaalsContact CG-OD2 3.3Å; E688-D793 WeakPolarHBondContact CG-OD2 3.33Å; E688-D793 PolarHBondContact N-OD2 2.74Å; E688-D793 PolarHBondContact OE1-N 3.38Å |
| 689 | P | 88.5 | Confident | 83.1 | Confident | 37 Ų | 37 | 38.6 Ų | 38.6 | 24% | 0.24 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.3 | -20.7 | 178.2 | -23 | 35.8 | 0 | 0 | 0 | 114.9 | R686 I687 L692 | R686-P689 HydrophobicContact CB-CG 4.05Å; I687-P689 VanDerWaalsContact C-CD 3.43Å; I687-P689 VanDerWaalsContact C-N 3.34Å; P689-L692 WeakPolarHBondContact CA-O 3.24Å; P689-L692 CarbonylContact O-C 3.56Å |
| 690 | L | 84 | Confident | 83.1 | Confident | 36 Ų | 36 | 36.3 Ų | 36.3 | 19% | 0.188 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -81.6 | -24.7 | 176.9 | -56.9 | 175.1 | 0 | 0 | 0 | 112.2 | G650 L653 S654 L665 I687 E688 | G650-L690 WeakPolarHBondContact O-CD1 3.5Å; L653-L690 HydrophobicContact CB-CD1 4.02Å; S654-L690 WeakPolarHBondContact OG-CD1 3.42Å; S654-L690 VanDerWaalsContact OG-CD2 3.28Å; S654-L690 WeakPolarHBondContact OG-CD2 3.28Å; L665-L690 HydrophobicContact CD1-CB 3.91Å; I687-L690 WeakPolarHBondContact O-CB 3.5Å; I687-L690 PolarHBondContact O-N 2.88Å; E688-L690 PolarHBondContact O-N 2.79Å; E688-L690 VanDerWaalsContact O-N 3.17Å |
| 691 | L | 83.1 | Confident | 83.5 | Confident | 30 Ų | 30 | 35.6 Ų | 35.6 | 16% | 0.157 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -79.4 | -47.5 | 176.4 | -62.5 | 170.6 | 0 | 0 | 0 | 110.6 | L665 I687 E688 L783 W787 I792 | L665-L691 HydrophobicContact CB-CD2 4.43Å; L665-L691 HydrophobicContact CD1-CD2 3.61Å; L665-L691 HydrophobicContact CD1-CG 4.28Å; I687-L691 HydrophobicContact CG2-CD1 4.33Å; I687-L691 HydrophobicContact CG2-CG 4.46Å; I687-L691 PolarHBondContact O-N 3.45Å; E688-L691 WeakPolarHBondContact O-CB 3.27Å; E688-L691 PolarHBondContact O-N 2.9Å; E688-L691 VanDerWaalsContact O-N 3.07Å; L691-L783 HydrophobicContact CB-CD1 4.17Å; L691-L783 HydrophobicContact CD1-CD2 4.27Å; L691-W787 HydrophobicContact CD1-CD2 4.09Å; L691-W787 HydrophobicContact CD1-CG 3.99Å; L691-W787 HydrophobicContact CD2-CD2 4.16Å; L691-W787 HydrophobicContact CD2-CG 4.24Å; L691-W787 HydrophobicContact CD2-CZ2 4.04Å; L691-I792 HydrophobicContact CD1-CD1 3.28Å |
| 692 | L | 80 | Confident | 83.7 | Confident | 12 Ų | 12 | 41.7 Ų | 41.7 | 6% | 0.063 | 23% | 0.229 | C | C | . | . | trans | -142 | 129.9 | 173.9 | -62.4 | 176.4 | 0 | 0 | 0 | 109.9 | E688 P689 E694 F695 F757 L760 L783 | E688-L692 PolarHBondContact O-N 3.26Å; E688-L692 VanDerWaalsContact O-N 3.16Å; P689-L692 WeakPolarHBondContact CA-O 3.24Å; P689-L692 CarbonylContact O-C 3.56Å; L692-E694 PolarHBondContact O-N 3.04Å; L692-E694 VanDerWaalsContact O-N 3.11Å; L692-F695 HydrophobicContact CB-CD2 3.64Å; L692-F695 HydrophobicContact CB-CE2 3.85Å; L692-F695 HydrophobicContact CD1-CD2 4.35Å; L692-F695 HydrophobicContact CD1-CE2 3.68Å; L692-F695 HydrophobicContact CD1-CZ 4.29Å; L692-F695 HydrophobicContact CG-CD2 4.3Å; L692-F695 HydrophobicContact CG-CE2 4.03Å; L692-F695 WeakPolarHBondContact O-CB 3.18Å; L692-F695 PolarHBondContact O-N 3.31Å; L692-F695 VanDerWaalsContact O-N 3.07Å; L692-F757 HydrophobicContact CD1-CD1 4Å; L692-F757 HydrophobicContact CD1-CE1 3.14Å; L692-F757 HydrophobicContact CD1-CE2 4.43Å; L692-F757 HydrophobicContact CD1-CZ 3.38Å; L692-L760 HydrophobicContact CD2-CD1 3.29Å; L692-L760 HydrophobicContact CD2-CG 4.5Å; L692-L783 HydrophobicContact CD1-CD1 3.7Å; L692-L783 HydrophobicContact CD2-CD1 4.33Å; L692-L783 HydrophobicContact CG-CD1 3.71Å | ||
| 693 | Q | 78.9 | Confident | 84.1 | Confident | 156 Ų | 156 | 40.3 Ų | 40.3 | 73% | 0.729 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -58.1 | -31 | -177.5 | -177.3 | 176.1 | -3.2 | 0 | 0 | 111.9 | F695 S696 | Q693-F695 PolarHBondContact O-N 3.26Å; Q693-S696 WeakPolarHBondContact O-CB 3.46Å; Q693-S696 PolarHBondContact O-N 3.28Å; Q693-S696 PolarHBondContact O-OG 3.15Å |
| 694 | E | 72.6 | Confident | 83.8 | Confident | 36 Ų | 36 | 42 Ų | 42 | 17% | 0.168 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -65.3 | -26.4 | -178.3 | -60.9 | 70.9 | -157.7 | 0 | 0 | 112.7 | L692 S696 T697 L753 S756 | L692-E694 PolarHBondContact O-N 3.04Å; L692-E694 VanDerWaalsContact O-N 3.11Å; E694-S696 PolarHBondContact O-N 3.42Å; E694-S696 VanDerWaalsContact O-N 3.17Å; E694-T697 PolarHBondContact O-N 3.17Å; E694-T697 PolarHBondContact O-OG1 3.33Å; E694-L753 HydrophobicContact CB-CD2 3.32Å; E694-L753 HydrophobicContact CB-CG 4.14Å; E694-L753 HydrophobicContact CG-CD2 3.92Å; E694-L753 HydrophobicContact CG-CG 4.44Å; E694-S756 VanDerWaalsContact CD-CB 3.41Å; E694-S756 WeakPolarHBondContact OE1-CB 3.43Å; E694-S756 PolarHBondContact OE1-OG 3.35Å |
| 695 | F | 81.8 | Confident | 83.2 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -65.5 | -14.4 | 173.3 | -70.7 | -55.9 | 0 | 0 | 0 | 113.2 | R686 E688 L692 Q693 T697 I698 L719 F757 L783 | R686-F695 PolarHBondContact NH2-O 3.48Å; R686-F695 VanDerWaalsContact NH2-O 3.16Å; E688-F695 HydrophobicContact CB-CB 3.64Å; E688-F695 HydrophobicContact CB-CD1 4.49Å; E688-F695 HydrophobicContact CB-CD2 4.02Å; E688-F695 HydrophobicContact CB-CG 3.83Å; E688-F695 WeakPolarHBondContact O-CD2 3.16Å; L692-F695 HydrophobicContact CB-CD2 3.64Å; L692-F695 HydrophobicContact CB-CE2 3.85Å; L692-F695 HydrophobicContact CD1-CD2 4.35Å; L692-F695 HydrophobicContact CD1-CE2 3.68Å; L692-F695 HydrophobicContact CD1-CZ 4.29Å; L692-F695 HydrophobicContact CG-CD2 4.3Å; L692-F695 HydrophobicContact CG-CE2 4.03Å; L692-F695 WeakPolarHBondContact O-CB 3.18Å; L692-F695 PolarHBondContact O-N 3.31Å; L692-F695 VanDerWaalsContact O-N 3.07Å; Q693-F695 PolarHBondContact O-N 3.26Å; F695-T697 PolarHBondContact O-N 3.47Å; F695-I698 HydrophobicContact CD1-CB 4.42Å; F695-I698 HydrophobicContact CD1-CD1 3.59Å; F695-I698 HydrophobicContact CE1-CD1 3.94Å; F695-I698 PolarHBondContact O-N 3Å; F695-I698 VanDerWaalsContact O-N 3.16Å; F695-L719 HydrophobicContact CE1-CD1 3.74Å; F695-L719 HydrophobicContact CZ-CD1 3.7Å; F695-L719 HydrophobicContact CZ-CD2 4.15Å; F695-L719 HydrophobicContact CZ-CG 4.35Å; F695-F757 HydrophobicContact CZ-CZ 4.5Å; F695-L783 HydrophobicContact CE2-CD2 4.25Å |
| 696 | S | 82.8 | Confident | 82.2 | Confident | 70 Ų | 70 | 42.9 Ų | 42.9 | 49% | 0.49 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -59.1 | -29.5 | 169.5 | 65.1 | 0 | 0 | 0 | 0 | 112.8 | Q693 E694 | Q693-S696 WeakPolarHBondContact O-CB 3.46Å; Q693-S696 PolarHBondContact O-N 3.28Å; Q693-S696 PolarHBondContact O-OG 3.15Å; E694-S696 PolarHBondContact O-N 3.42Å; E694-S696 VanDerWaalsContact O-N 3.17Å |
| 697 | T | 78.2 | Confident | 81 | Confident | 87 Ų | 87 | 44.8 Ų | 44.8 | 53% | 0.534 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -87.9 | -14.8 | 179 | 65.8 | 0 | 0 | 0 | 0 | 113.4 | E694 F695 | E694-T697 PolarHBondContact O-N 3.17Å; E694-T697 PolarHBondContact O-OG1 3.33Å; F695-T697 PolarHBondContact O-N 3.47Å |
| 698 | I | 78.9 | Confident | 79.7 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 14% | 0.138 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -94.5 | 125.2 | -178.9 | -63.6 | 169.1 | 0 | 0 | 0 | 107.8 | R686 F695 L753 | R686-I698 PolarHBondContact NH1-O 2.65Å; R686-I698 PolarHBondContact NH2-O 2.81Å; F695-I698 HydrophobicContact CD1-CB 4.42Å; F695-I698 HydrophobicContact CD1-CD1 3.59Å; F695-I698 HydrophobicContact CE1-CD1 3.94Å; F695-I698 PolarHBondContact O-N 3Å; F695-I698 VanDerWaalsContact O-N 3.16Å; I698-L753 HydrophobicContact CD1-CD1 4.37Å; I698-L753 HydrophobicContact CD1-CD2 4.32Å |
| 699 | P | 81.8 | Confident | 78.5 | Confident | 74 Ų | 74 | 51.6 Ų | 51.6 | 48% | 0.481 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 154.2 | 177.9 | 28 | -34.4 | 0 | 0 | 0 | 111.8 | R791 | P699-R791 PolarHBondContact O-NH2 3.44Š|
| 700 | S | 86.2 | Confident | 77.4 | Confident | 16 Ų | 16 | 52 Ų | 52 | 11% | 0.112 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 153.1 | 168.4 | 27.6 | 0 | 0 | 0 | 0 | 111.9 | Y677 K702 E795 | Y677-S700 WeakPolarHBondContact OH-CB 3.47Å; Y677-S700 PolarHBondContact OH-OG 3.43Å; S700-K702 PolarHBondContact O-N 2.82Å; S700-E795 PolarHBondContact OG-OE2 2.76Å |
| 701 | V | 87.9 | Confident | 76.4 | Confident | 14 Ų | 14 | 55.5 Ų | 55.5 | 9% | 0.085 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 125.3 | 172.6 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | L717 R791 D793 Y794 E795 | V701-L717 HydrophobicContact CG1-CD2 3.79Å; V701-R791 HydrophobicContact CG2-CB 3.65Å; V701-R791 HydrophobicContact CG2-CG 3.67Å; V701-D793 PolarHBondContact N-O 3.33Å; V701-Y794 HydrophobicContact CB-CD1 3.7Å; V701-Y794 HydrophobicContact CB-CE1 3.82Å; V701-Y794 HydrophobicContact CB-CG 4.49Å; V701-Y794 HydrophobicContact CG1-CD1 3.79Å; V701-Y794 HydrophobicContact CG1-CE1 3.76Å; V701-Y794 HydrophobicContact CG2-CE1 4.29Å; V701-Y794 CarbonylContact O-C 3.52Å; V701-Y794 VanDerWaalsContact O-CA 3.23Å; V701-Y794 WeakPolarHBondContact O-CA 3.37Å; V701-E795 PolarHBondContact O-N 3.16Å |
| 702 | K | 88.2 | Confident | 75.5 | Confident | 141 Ų | 141 | 55.1 Ų | 55.1 | 61% | 0.613 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 128.3 | 177 | -65.4 | -169.8 | 174.9 | -170.8 | 0 | 110.5 | S700 L704 E795 | S700-K702 PolarHBondContact O-N 2.82Å; K702-L704 PolarHBondContact O-N 2.73Å; K702-E795 WeakPolarHBondContact CA-O 3.33Å |
| 703 | I | 84.5 | Confident | 75 | Confident | 7 Ų | 7 | 57.1 Ų | 57.1 | 4% | 0.036 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 117.3 | 168.9 | -64.9 | 179.5 | 0 | 0 | 0 | 107.8 | L676 Y794 E795 L796 D823 F827 | L676-I703 HydrophobicContact CD2-CD1 3.62Å; L676-I703 HydrophobicContact CG-CD1 3.77Å; I703-Y794 HydrophobicContact CG1-CD1 4.32Å; I703-E795 PolarHBondContact N-O 3.47Å; I703-L796 HydrophobicContact CB-CD2 3.92Å; I703-L796 HydrophobicContact CD1-CD2 3.67Å; I703-L796 HydrophobicContact CD1-CG 4.03Å; I703-L796 HydrophobicContact CG1-CD2 4.33Å; I703-L796 HydrophobicContact CG2-CD2 3.92Å; I703-D823 HydrophobicContact CG2-CB 4.13Å; I703-F827 HydrophobicContact CD1-CB 4.41Å; I703-F827 HydrophobicContact CD1-CD1 4.21Å; I703-F827 HydrophobicContact CD1-CD2 4.33Å; I703-F827 HydrophobicContact CD1-CG 4.05Å; I703-F827 HydrophobicContact CG1-CD2 4.18Å; I703-F827 HydrophobicContact CG1-CG 4.37Å; I703-F827 HydrophobicContact CG2-CB 4.27Å |
| 704 | L | 75.8 | Confident | 74.2 | Confident | 38 Ų | 38 | 51.9 Ų | 51.9 | 20% | 0.199 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 149.8 | -176.9 | -64.4 | 173 | 0 | 0 | 0 | 112 | K702 Y706 F709 D713 | K702-L704 PolarHBondContact O-N 2.73Å; L704-Y706 PolarHBondContact O-N 2.86Å; L704-F709 HydrophobicContact CB-CB 4.43Å; L704-F709 HydrophobicContact CB-CD2 3.78Å; L704-F709 HydrophobicContact CB-CE2 4.39Å; L704-F709 HydrophobicContact CB-CG 4.49Å; L704-F709 HydrophobicContact CD1-CD2 3.79Å; L704-F709 HydrophobicContact CD1-CE2 3.9Å; L704-F709 HydrophobicContact CD1-CG 4.23Å; L704-F709 HydrophobicContact CD2-CD2 4.42Å; L704-F709 HydrophobicContact CD2-CE2 4.19Å; L704-F709 HydrophobicContact CG-CD2 4.23Å; L704-F709 HydrophobicContact CG-CE2 4.41Å; L704-D713 HydrophobicContact CD1-CB 3.41Å; L704-D713 VanDerWaalsContact CD1-CB 3.41Å; L704-D713 WeakPolarHBondContact CD1-OD2 3.27Å |
| 705 | P | 72.5 | Confident | 73.9 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 20% | 0.195 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 122.9 | 179.3 | -22.2 | 33.8 | 0 | 0 | 0 | 111.5 | S707 Q708 F709 D823 | P705-S707 PolarHBondContact O-N 3.15Å; P705-Q708 HydrophobicContact CB-CB 4.47Å; P705-Q708 PolarHBondContact O-N 3.13Å; P705-F709 PolarHBondContact O-N 3.24Å; P705-D823 WeakPolarHBondContact CA-OD1 3.06Å |
| 706 | Y | 68 | Low | 73.3 | Confident | 28 Ų | 28 | 55.8 Ų | 55.8 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -38.7 | 176.6 | 165.5 | -105 | 0 | 0 | 0 | 112 | V447 H450 L704 Q708 F709 P710 C822 D823 A826 | V447-Y706 HydrophobicContact CG1-CD2 4.23Å; V447-Y706 HydrophobicContact CG1-CE2 3.61Å; V447-Y706 HydrophobicContact CG2-CE1 4.45Å; V447-Y706 HydrophobicContact CG2-CE2 4.48Å; H450-Y706 WeakPolarHBondContact CB-OH 3.24Å; H450-Y706 VanDerWaalsContact CG-OH 3.25Å; H450-Y706 PolarHBondContact ND1-OH 2.86Å; L704-Y706 PolarHBondContact O-N 2.86Å; Y706-Q708 PolarHBondContact O-N 2.96Å; Y706-Q708 VanDerWaalsContact O-N 3.16Å; Y706-F709 CarbonylContact O-C 3.57Å; Y706-P710 HydrophobicContact CD2-CB 4.25Å; Y706-P710 HydrophobicContact CE2-CB 4Å; Y706-P710 VanDerWaalsContact O-CA 3.25Å; Y706-P710 WeakPolarHBondContact O-CA 3.37Å; Y706-P710 WeakPolarHBondContact O-CD 3.48Å; Y706-P710 VanDerWaalsContact O-N 3.08Å; Y706-C822 HydrophobicContact CD1-CB 3.99Å; Y706-C822 HydrophobicContact CG-CB 4.44Å; Y706-D823 VanDerWaalsContact CB-OD1 3.28Å; Y706-D823 WeakPolarHBondContact CB-OD1 3.34Å; Y706-D823 PolarHBondContact N-OD1 3.01Å; Y706-A826 HydrophobicContact CD2-CB 3.35Å; Y706-A826 HydrophobicContact CE2-CB 4.1Å; Y706-A826 HydrophobicContact CG-CB 3.91Å |
| 707 | S | 67 | Low | 73 | Confident | 95 Ų | 95 | 53.5 Ų | 53.5 | 66% | 0.664 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -24.8 | 178.9 | 58.9 | 0 | 0 | 0 | 0 | 114.1 | P705 | P705-S707 PolarHBondContact O-N 3.15Š|
| 708 | Q | 62.2 | Low | 73 | Confident | 101 Ų | 101 | 52.6 Ų | 52.6 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -39.5 | -177.4 | -70.4 | 167.8 | -13.3 | 0 | 0 | 111.5 | P705 Y706 P710 W739 | P705-Q708 HydrophobicContact CB-CB 4.47Å; P705-Q708 PolarHBondContact O-N 3.13Å; Y706-Q708 PolarHBondContact O-N 2.96Å; Y706-Q708 VanDerWaalsContact O-N 3.16Å; Q708-P710 WeakPolarHBondContact O-CD 3.37Å; Q708-W739 HydrophobicContact CB-CH2 4.12Å; Q708-W739 HydrophobicContact CB-CZ3 4.18Å; Q708-W739 HydrophobicContact CG-CH2 4.01Å |
| 709 | F | 66.1 | Low | 72.7 | Confident | 45 Ų | 45 | 51.8 Ų | 51.8 | 20% | 0.197 | 29% | 0.294 | C | S | . | . | trans | -124.1 | 73.8 | 177.1 | -59.9 | -78 | 0 | 0 | 0 | 110.4 | L704 P705 Y706 L711 G712 D713 W739 R830 | L704-F709 HydrophobicContact CB-CB 4.43Å; L704-F709 HydrophobicContact CB-CD2 3.78Å; L704-F709 HydrophobicContact CB-CE2 4.39Å; L704-F709 HydrophobicContact CB-CG 4.49Å; L704-F709 HydrophobicContact CD1-CD2 3.79Å; L704-F709 HydrophobicContact CD1-CE2 3.9Å; L704-F709 HydrophobicContact CD1-CG 4.23Å; L704-F709 HydrophobicContact CD2-CD2 4.42Å; L704-F709 HydrophobicContact CD2-CE2 4.19Å; L704-F709 HydrophobicContact CG-CD2 4.23Å; L704-F709 HydrophobicContact CG-CE2 4.41Å; P705-F709 PolarHBondContact O-N 3.24Å; Y706-F709 CarbonylContact O-C 3.57Å; F709-L711 PolarHBondContact O-N 2.95Å; F709-G712 PolarHBondContact O-N 3.44Å; F709-G712 VanDerWaalsContact O-N 3.12Å; F709-D713 HydrophobicContact CD1-CB 3.94Å; F709-D713 HydrophobicContact CE1-CB 3.92Å; F709-D713 HydrophobicContact CG-CB 4.36Å; F709-D713 HydrophobicContact CZ-CB 4.25Å; F709-W739 AromaticContact CD2-CZ3 4Å; F709-W739 HydrophobicContact CD2-CZ3 4Å; F709-W739 AromaticContact CE2-CE3 3.45Å; F709-W739 HydrophobicContact CE2-CE3 3.45Å; F709-W739 VanDerWaalsContact CE2-CE3 3.45Å; F709-W739 HydrophobicContact CE2-CH2 4.36Å; F709-W739 AromaticContact CE2-CZ3 3.14Å; F709-W739 HydrophobicContact CE2-CZ3 3.14Å; F709-W739 AromaticContact CZ-CE3 3.88Å; F709-W739 HydrophobicContact CZ-CE3 3.88Å; F709-W739 AromaticContact CZ-CZ3 3.64Å; F709-W739 HydrophobicContact CZ-CZ3 3.64Å; F709-R830 PolarHBondContact O-NH1 2.73Å | ||
| 710 | P | 63.9 | Low | 72 | Confident | 46 Ų | 46 | 51.9 Ų | 51.9 | 30% | 0.299 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -44.4 | -179.1 | 21 | -31.5 | 0 | 0 | 0 | 110.2 | F451 Y706 Q708 R830 | F451-P710 WeakPolarHBondContact CD2-O 3.46Å; F451-P710 WeakPolarHBondContact CE2-O 3.47Å; Y706-P710 HydrophobicContact CD2-CB 4.25Å; Y706-P710 HydrophobicContact CE2-CB 4Å; Y706-P710 VanDerWaalsContact O-CA 3.25Å; Y706-P710 WeakPolarHBondContact O-CA 3.37Å; Y706-P710 WeakPolarHBondContact O-CD 3.48Å; Y706-P710 VanDerWaalsContact O-N 3.08Å; Q708-P710 WeakPolarHBondContact O-CD 3.37Å; P710-R830 PolarHBondContact O-NH1 2.93Å |
| 711 | L | 63.8 | Low | 71.1 | Confident | 108 Ų | 108 | 54 Ų | 54 | 57% | 0.565 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -0.1 | -179.8 | -57.9 | -178.8 | 0 | 0 | 0 | 115.3 | F451 F709 | F451-L711 HydrophobicContact CD1-CD2 4.23Å; F451-L711 HydrophobicContact CD2-CD2 3.73Å; F451-L711 HydrophobicContact CE1-CD2 3.91Å; F451-L711 HydrophobicContact CE2-CB 4.39Å; F451-L711 HydrophobicContact CE2-CD2 3.46Å; F451-L711 VanDerWaalsContact CE2-CD2 3.46Å; F451-L711 HydrophobicContact CE2-CG 4.44Å; F451-L711 HydrophobicContact CG-CD2 4.09Å; F451-L711 HydrophobicContact CZ-CB 4.48Å; F451-L711 HydrophobicContact CZ-CD2 3.48Å; F451-L711 VanDerWaalsContact CZ-CD2 3.48Å; F709-L711 PolarHBondContact O-N 2.95Å |
| 712 | G | 63.8 | Low | 69.7 | Low | 22 Ų | 22 | 58.3 Ų | 58.3 | 23% | 0.227 | 32% | 0.315 | C | S | . | . | trans | 87.3 | 171 | -166 | 0 | 0 | 0 | 0 | 0 | 112.7 | F709 | F709-G712 PolarHBondContact O-N 3.44Å; F709-G712 VanDerWaalsContact O-N 3.12Å | ||
| 713 | D | 69 | Low | 68.1 | Low | 55 Ų | 55 | 54.6 Ų | 54.6 | 29% | 0.294 | 30% | 0.3 | S | S | . | . | trans | -93.8 | 1.2 | -177.1 | 66.7 | -19.7 | 0 | 0 | 0 | 114.3 | L704 F709 Q715 | L704-D713 HydrophobicContact CD1-CB 3.41Å; L704-D713 VanDerWaalsContact CD1-CB 3.41Å; L704-D713 WeakPolarHBondContact CD1-OD2 3.27Å; F709-D713 HydrophobicContact CD1-CB 3.94Å; F709-D713 HydrophobicContact CE1-CB 3.92Å; F709-D713 HydrophobicContact CG-CB 4.36Å; F709-D713 HydrophobicContact CZ-CB 4.25Å; D713-Q715 WeakPolarHBondContact OD1-CB 3.42Å; D713-Q715 PolarHBondContact OD1-N 3.09Å; D713-Q715 VanDerWaalsContact OD1-N 3.09Å; D713-Q715 VanDerWaalsContact OD2-CG 3.25Å; D713-Q715 WeakPolarHBondContact OD2-CG 3.39Å; D713-Q715 PolarHBondContact OD2-NE2 2.98Å | ||
| 714 | G | 63.2 | Low | 66.5 | Low | 46 Ų | 46 | 57.3 Ų | 57.3 | 47% | 0.474 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 88.4 | -3.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T838 | G714-T838 VanDerWaalsContact CA-OG1 3.26Å; G714-T838 WeakPolarHBondContact CA-OG1 3.26Å; G714-T838 PolarHBondContact O-OG1 3.48Å |
| 715 | Q | 66.8 | Low | 64.9 | Low | 78 Ų | 78 | 63 Ų | 63 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | trans | -69.3 | 134 | 178.4 | -74.7 | -176.4 | 37.3 | 0 | 0 | 111.1 | D713 L717 | D713-Q715 WeakPolarHBondContact OD1-CB 3.42Å; D713-Q715 PolarHBondContact OD1-N 3.09Å; D713-Q715 VanDerWaalsContact OD1-N 3.09Å; D713-Q715 VanDerWaalsContact OD2-CG 3.25Å; D713-Q715 WeakPolarHBondContact OD2-CG 3.39Å; D713-Q715 PolarHBondContact OD2-NE2 2.98Å; Q715-L717 PolarHBondContact O-N 3.39Å | ||
| 716 | S | 68.4 | Low | 63.2 | Low | 43 Ų | 43 | 66.1 Ų | 66.1 | 30% | 0.301 | 36% | 0.36 | S | S | . | . | trans | -67.4 | 131.1 | 173.1 | -175 | 0 | 0 | 0 | 0 | 110.6 | H718 D721 W722 | S716-H718 VanDerWaalsContact C-N 3.32Å; S716-H718 WeakPolarHBondContact OG-CB 3.42Å; S716-H718 PolarHBondContact OG-N 3.33Å; S716-H718 VanDerWaalsContact OG-N 3.16Å; S716-D721 WeakPolarHBondContact CB-OD2 3.31Å; S716-D721 PolarHBondContact OG-OD2 2.91Å; S716-W722 PolarHBondContact O-NE1 2.86Å | ||
| 717 | L | 77.5 | Confident | 61.6 | Low | 22 Ų | 22 | 70 Ų | 70 | 12% | 0.115 | 39% | 0.387 | C | S | . | . | trans | -90.2 | -1.9 | 171.9 | -59.8 | 178.4 | 0 | 0 | 0 | 112.1 | V701 Q715 K790 R791 Y794 F827 | V701-L717 HydrophobicContact CG1-CD2 3.79Å; Q715-L717 PolarHBondContact O-N 3.39Å; L717-K790 HydrophobicContact CB-CG 4.49Å; L717-K790 CarbonylContact O-C 3.55Å; L717-K790 VanDerWaalsContact O-CA 3.23Å; L717-K790 WeakPolarHBondContact O-CA 3.22Å; L717-K790 WeakPolarHBondContact O-CB 3.13Å; L717-R791 PolarHBondContact O-N 3.14Å; L717-Y794 HydrophobicContact CD1-CE1 4.38Å; L717-Y794 HydrophobicContact CD2-CE1 4.03Å; L717-F827 HydrophobicContact CD1-CE2 4.37Å | ||
| 718 | H | 78.3 | Confident | 59.9 | Low | 68 Ų | 68 | 70.4 Ų | 70.4 | 32% | 0.315 | 39% | 0.39 | S | S | . | . | B | Isolated β-bridge | trans | -71.9 | 130.8 | -177.9 | -163.6 | -91.4 | 0 | 0 | 0 | 110.4 | S716 L720 D721 S789 | S716-H718 VanDerWaalsContact C-N 3.32Å; S716-H718 WeakPolarHBondContact OG-CB 3.42Å; S716-H718 PolarHBondContact OG-N 3.33Å; S716-H718 VanDerWaalsContact OG-N 3.16Å; H718-L720 VanDerWaalsContact C-N 3.26Å; H718-L720 VanDerWaalsContact ND1-CB 3.35Å; H718-L720 WeakPolarHBondContact ND1-CB 3.45Å; H718-L720 PolarHBondContact ND1-N 3.07Å; H718-L720 PolarHBondContact O-N 2.93Å; H718-D721 HydrophobicContact CB-CB 4.45Å; H718-D721 PolarHBondContact O-N 3.09Å; H718-D721 VanDerWaalsContact O-N 3.15Å; H718-S789 PolarHBondContact CD2-O 3.11Å; H718-S789 WeakPolarHBondContact NE2-CB 3.29Å |
| 719 | L | 72.1 | Confident | 58.2 | Low | 11 Ų | 11 | 71.8 Ų | 71.8 | 6% | 0.058 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60 | -38.6 | -174.4 | -171.2 | 69.3 | 0 | 0 | 0 | 111.7 | F695 D721 W722 M723 L783 S789 | F695-L719 HydrophobicContact CE1-CD1 3.74Å; F695-L719 HydrophobicContact CZ-CD1 3.7Å; F695-L719 HydrophobicContact CZ-CD2 4.15Å; F695-L719 HydrophobicContact CZ-CG 4.35Å; L719-D721 VanDerWaalsContact C-N 3.34Å; L719-D721 PolarHBondContact O-N 3.36Å; L719-W722 PolarHBondContact O-N 3.06Å; L719-M723 HydrophobicContact CD1-CE 4.39Å; L719-M723 HydrophobicContact CD2-CE 3.64Å; L719-M723 HydrophobicContact CG-CE 3.54Å; L719-M723 WeakPolarHBondContact O-CG 3.33Å; L719-M723 PolarHBondContact O-N 2.75Å; L719-L783 HydrophobicContact CD2-CD2 3.95Å; L719-S789 WeakPolarHBondContact CB-O 3.13Å; L719-S789 PolarHBondContact N-O 2.78Å |
| 720 | L | 67 | Low | 56.2 | Low | 76 Ų | 76 | 78.1 Ų | 78.1 | 40% | 0.398 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.8 | -31.1 | -179.5 | -165.6 | 64.2 | 0 | 0 | 0 | 113.1 | H718 W722 M723 T724 | H718-L720 VanDerWaalsContact C-N 3.26Å; H718-L720 VanDerWaalsContact ND1-CB 3.35Å; H718-L720 WeakPolarHBondContact ND1-CB 3.45Å; H718-L720 PolarHBondContact ND1-N 3.07Å; H718-L720 PolarHBondContact O-N 2.93Å; L720-W722 VanDerWaalsContact C-N 3.35Å; L720-M723 PolarHBondContact O-N 3.32Å; L720-T724 HydrophobicContact CG-CG2 4.49Å; L720-T724 WeakPolarHBondContact O-CG2 3.43Å; L720-T724 PolarHBondContact O-N 3.19Å; L720-T724 VanDerWaalsContact O-N 3.08Å; L720-T724 PolarHBondContact O-OG1 2.84Å |
| 721 | D | 66.5 | Low | 54.5 | Low | 61 Ų | 61 | 82.3 Ų | 82.3 | 33% | 0.326 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69 | -39.6 | -179.9 | -67.3 | -8 | 0 | 0 | 0 | 109.9 | S716 H718 L719 M723 T724 M725 | S716-D721 WeakPolarHBondContact CB-OD2 3.31Å; S716-D721 PolarHBondContact OG-OD2 2.91Å; H718-D721 HydrophobicContact CB-CB 4.45Å; H718-D721 PolarHBondContact O-N 3.09Å; H718-D721 VanDerWaalsContact O-N 3.15Å; L719-D721 VanDerWaalsContact C-N 3.34Å; L719-D721 PolarHBondContact O-N 3.36Å; D721-M723 VanDerWaalsContact C-N 3.27Å; D721-M723 PolarHBondContact O-N 3.11Å; D721-T724 WeakPolarHBondContact CA-OG1 3.26Å; D721-T724 PolarHBondContact O-N 3.14Å; D721-T724 VanDerWaalsContact O-N 3.11Å; D721-T724 PolarHBondContact O-OG1 2.83Å; D721-M725 VanDerWaalsContact O-CB 3.23Å; D721-M725 WeakPolarHBondContact O-CB 3.4Å; D721-M725 WeakPolarHBondContact O-CG 3.5Å; D721-M725 PolarHBondContact O-N 2.78Å |
| 722 | W | 58.7 | Low | 52.6 | Low | 104 Ų | 104 | 82.8 Ų | 82.8 | 39% | 0.394 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.3 | -28.6 | 172.5 | -78.8 | 77.2 | 0 | 0 | 0 | 113.5 | S716 L719 L720 | S716-W722 PolarHBondContact O-NE1 2.86Å; L719-W722 PolarHBondContact O-N 3.06Å; L720-W722 VanDerWaalsContact C-N 3.35Å |
| 723 | M | 55.7 | Low | 50.7 | Low | 62 Ų | 62 | 86.7 Ų | 86.7 | 31% | 0.305 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -76.7 | -22.7 | 173.7 | -62.9 | -168.1 | -150.3 | 0 | 0 | 113.1 | L719 L720 D721 F757 A780 | L719-M723 HydrophobicContact CD1-CE 4.39Å; L719-M723 HydrophobicContact CD2-CE 3.64Å; L719-M723 HydrophobicContact CG-CE 3.54Å; L719-M723 WeakPolarHBondContact O-CG 3.33Å; L719-M723 PolarHBondContact O-N 2.75Å; L720-M723 PolarHBondContact O-N 3.32Å; D721-M723 VanDerWaalsContact C-N 3.27Å; D721-M723 PolarHBondContact O-N 3.11Å; M723-F757 HydrophobicContact CE-CE1 3.97Å; M723-F757 HydrophobicContact CE-CE2 4.11Å; M723-F757 HydrophobicContact CE-CZ 3.47Å; M723-F757 VanDerWaalsContact CE-CZ 3.47Å; M723-F757 HydrophobicContact SD-CD2 4.4Å; M723-F757 HydrophobicContact SD-CE1 4.38Å; M723-F757 HydrophobicContact SD-CE2 3.72Å; M723-F757 HydrophobicContact SD-CZ 3.72Å; M723-A780 HydrophobicContact CE-CB 3.93Å; M723-A780 HydrophobicContact SD-CB 4.33Å |
| 724 | T | 50.8 | Low | 48.7 | Very low | 65 Ų | 65 | 92.3 Ų | 92.3 | 40% | 0.399 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -109.1 | -15.6 | -172.5 | 53.5 | 0 | 0 | 0 | 0 | 114.6 | L720 D721 D726 T727 | L720-T724 HydrophobicContact CG-CG2 4.49Å; L720-T724 WeakPolarHBondContact O-CG2 3.43Å; L720-T724 PolarHBondContact O-N 3.19Å; L720-T724 VanDerWaalsContact O-N 3.08Å; L720-T724 PolarHBondContact O-OG1 2.84Å; D721-T724 WeakPolarHBondContact CA-OG1 3.26Å; D721-T724 PolarHBondContact O-N 3.14Å; D721-T724 VanDerWaalsContact O-N 3.11Å; D721-T724 PolarHBondContact O-OG1 2.83Å; T724-D726 PolarHBondContact O-N 3.5Å; T724-T727 PolarHBondContact O-N 2.84Å; T724-T727 PolarHBondContact O-OG1 2.94Å |
| 725 | M | 42.4 | Very low | 46.9 | Very low | 156 Ų | 156 | 95.9 Ų | 95.9 | 77% | 0.768 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 26.6 | -178.8 | -84.6 | -97.1 | 90.9 | 0 | 0 | 115.7 | D721 | D721-M725 VanDerWaalsContact O-CB 3.23Å; D721-M725 WeakPolarHBondContact O-CB 3.4Å; D721-M725 WeakPolarHBondContact O-CG 3.5Å; D721-M725 PolarHBondContact O-N 2.78Å |
| 726 | D | 36.9 | Very low | 45 | Very low | 96 Ų | 96 | 97.7 Ų | 97.7 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -144.2 | 13.6 | 170.1 | -123.4 | 10.5 | 0 | 0 | 0 | 113.3 | T724 R750 | T724-D726 PolarHBondContact O-N 3.5Å; D726-R750 PolarHBondContact O-NH2 3.39Å; D726-R750 IonicContact OD1-NH2 2.85Å; D726-R750 IonicContact OD2-CZ 3.03Å; D726-R750 IonicContact OD2-NE 3.54Å; D726-R750 IonicContact OD2-NH2 3.88Å; D726-R750 PolarHBondContact OD2-NH2 2.81Å |
| 727 | T | 34.1 | Very low | 43.2 | Very low | 110 Ų | 110 | 97.2 Ų | 97.2 | 68% | 0.675 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -115.7 | 59.3 | 177.9 | 47.2 | 0 | 0 | 0 | 0 | 113.1 | T724 | T724-T727 PolarHBondContact O-N 2.84Å; T724-T727 PolarHBondContact O-OG1 2.94Å |
| 728 | S | 29.9 | Very low | 41 | Very low | 103 Ų | 103 | 101.7 Ų | 101.7 | 72% | 0.72 | 59% | 0.587 | S | S | * | * | trans | -170.8 | 96.1 | 152.7 | 52.5 | 0 | 0 | 0 | 0 | 110.7 | E730 | S728-E730 PolarHBondContact O-N 2.85Š| ||
| 729 | S | 28.2 | Very low | 38.7 | Very low | 131 Ų | 131 | 105.5 Ų | 105.5 | 92% | 0.916 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -69.4 | 79.5 | 159.4 | -59.3 | 0 | 0 | 0 | 0 | 108.7 | ||
| 730 | E | 23.7 | Very low | 36.7 | Very low | 177 Ų | 177 | 108.9 Ų | 108.9 | 83% | 0.827 | 62% | 0.619 | S | S | * | * | trans | 165.9 | 91.3 | 159.8 | -99.7 | 174.1 | -175.9 | 0 | 0 | 107.5 | S728 | S728-E730 PolarHBondContact O-N 2.85Š| ||
| 731 | V | 27.5 | Very low | 34.8 | Very low | 135 Ų | 135 | 111.3 Ų | 111.3 | 82% | 0.818 | 64% | 0.638 | S | S | * | * | trans | -170.8 | 124.9 | 136.9 | 171.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 732 | T | 24 | Very low | 32.8 | Very low | 117 Ų | 117 | 114 Ų | 114 | 72% | 0.718 | 65% | 0.649 | S | S | * | * | trans | -33.8 | 131.4 | 166.3 | 32.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 733 | S | 25.1 | Very low | 31.3 | Very low | 104 Ų | 104 | 113.5 Ų | 113.5 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | trans | 50.9 | 81.2 | 149 | 63.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 734 | M | 25.2 | Very low | 29.9 | Very low | 173 Ų | 173 | 115.5 Ų | 115.5 | 85% | 0.852 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 134.3 | 147.3 | -77.9 | -73.7 | 115.9 | 0 | 0 | 108.9 | S736 | M734-S736 PolarHBondContact O-N 3.29Š|
| 735 | P | 27.1 | Very low | 28.7 | Very low | 122 Ų | 122 | 115.6 Ų | 115.6 | 79% | 0.792 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 120.8 | -177.8 | 26.4 | -30.2 | 0 | 0 | 0 | 110.4 | S737 | P735-S737 PolarHBondContact O-N 3.14Š|
| 736 | S | 26.7 | Very low | 28 | Very low | 115 Ų | 115 | 112.7 Ų | 112.7 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 121.9 | 171.4 | 13.8 | 0 | 0 | 0 | 0 | 109.3 | M734 | M734-S736 PolarHBondContact O-N 3.29Š|
| 737 | S | 29.8 | Very low | 27.7 | Very low | 34 Ų | 34 | 114.8 Ų | 114.8 | 24% | 0.238 | 70% | 0.695 | C | S | . | * | P | Polyproline II helix | trans | -66 | 133.1 | 176.7 | -172.7 | 0 | 0 | 0 | 0 | 110.9 | P735 W739 T740 | P735-S737 PolarHBondContact O-N 3.14Å; S737-W739 PolarHBondContact O-N 2.98Å; S737-W739 VanDerWaalsContact O-N 3.11Å; S737-T740 PolarHBondContact O-N 3.48Å |
| 738 | P | 31.9 | Very low | 27.9 | Very low | 116 Ų | 116 | 115.6 Ų | 115.6 | 75% | 0.753 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -13.4 | -178.6 | -22.3 | 31.8 | 0 | 0 | 0 | 115.9 | ||
| 739 | W | 30.2 | Very low | 28 | Very low | 148 Ų | 148 | 116.8 Ų | 116.8 | 56% | 0.561 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -1.4 | 177.7 | -69.7 | -38.3 | 0 | 0 | 0 | 114.9 | Q708 F709 S737 | Q708-W739 HydrophobicContact CB-CH2 4.12Å; Q708-W739 HydrophobicContact CB-CZ3 4.18Å; Q708-W739 HydrophobicContact CG-CH2 4.01Å; F709-W739 AromaticContact CD2-CZ3 4Å; F709-W739 HydrophobicContact CD2-CZ3 4Å; F709-W739 AromaticContact CE2-CE3 3.45Å; F709-W739 HydrophobicContact CE2-CE3 3.45Å; F709-W739 VanDerWaalsContact CE2-CE3 3.45Å; F709-W739 HydrophobicContact CE2-CH2 4.36Å; F709-W739 AromaticContact CE2-CZ3 3.14Å; F709-W739 HydrophobicContact CE2-CZ3 3.14Å; F709-W739 AromaticContact CZ-CE3 3.88Å; F709-W739 HydrophobicContact CZ-CE3 3.88Å; F709-W739 AromaticContact CZ-CZ3 3.64Å; F709-W739 HydrophobicContact CZ-CZ3 3.64Å; S737-W739 PolarHBondContact O-N 2.98Å; S737-W739 VanDerWaalsContact O-N 3.11Å |
| 740 | T | 29.6 | Very low | 28.5 | Very low | 81 Ų | 81 | 117.9 Ų | 117.9 | 50% | 0.497 | 67% | 0.668 | S | S | . | * | trans | -100.3 | 76.6 | 163.9 | -26.1 | 0 | 0 | 0 | 0 | 107.4 | S737 M742 | S737-T740 PolarHBondContact O-N 3.48Å; T740-M742 HydrophobicContact CG2-CG 3.86Å; T740-M742 PolarHBondContact O-N 3.38Å | ||
| 741 | T | 26.3 | Very low | 29.4 | Very low | 128 Ų | 128 | 114.6 Ų | 114.6 | 79% | 0.785 | 66% | 0.66 | S | S | * | * | trans | -61.6 | 83.7 | 154.5 | 36.2 | 0 | 0 | 0 | 0 | 106.8 | S743 | T741-S743 PolarHBondContact O-N 2.78Š| ||
| 742 | M | 26 | Very low | 30.1 | Very low | 116 Ų | 116 | 113.2 Ų | 113.2 | 57% | 0.571 | 65% | 0.647 | S | S | * | * | trans | -66.6 | 80 | 158 | -67.9 | -149.8 | 81.5 | 0 | 0 | 106 | T740 S744 | T740-M742 HydrophobicContact CG2-CG 3.86Å; T740-M742 PolarHBondContact O-N 3.38Å; M742-S744 PolarHBondContact O-N 3.41Å | ||
| 743 | S | 26.3 | Very low | 30.8 | Very low | 94 Ų | 94 | 110.2 Ų | 110.2 | 66% | 0.657 | 63% | 0.627 | S | S | * | * | trans | -45.8 | 110.2 | 152 | 164.5 | 0 | 0 | 0 | 0 | 105.8 | T741 S745 | T741-S743 PolarHBondContact O-N 2.78Å; S743-S745 PolarHBondContact O-N 2.81Å; S743-S745 VanDerWaalsContact O-N 3.16Å | ||
| 744 | S | 26.8 | Very low | 31.6 | Very low | 105 Ų | 105 | 113.2 Ų | 113.2 | 73% | 0.734 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 16.7 | 89.2 | 167.1 | 55.1 | 0 | 0 | 0 | 0 | 113 | M742 P746 | M742-S744 PolarHBondContact O-N 3.41Å; S744-P746 VanDerWaalsContact O-N 3.1Å |
| 745 | S | 25.6 | Very low | 32.3 | Very low | 66 Ų | 66 | 107.9 Ų | 107.9 | 46% | 0.462 | 60% | 0.602 | S | S | . | * | trans | -38.8 | 118.8 | 179.9 | -47.9 | 0 | 0 | 0 | 0 | 110.4 | S743 T747 | S743-S745 PolarHBondContact O-N 2.81Å; S743-S745 VanDerWaalsContact O-N 3.16Å; S745-T747 PolarHBondContact O-N 3.39Å | ||
| 746 | P | 26.6 | Very low | 32.9 | Very low | 95 Ų | 95 | 103.3 Ų | 103.3 | 62% | 0.617 | 57% | 0.573 | S | S | * | * | trans | -54.9 | 127.8 | 163.9 | -16.7 | 28.5 | 0 | 0 | 0 | 106.1 | S744 W748 | S744-P746 VanDerWaalsContact O-N 3.1Å; P746-W748 VanDerWaalsContact C-N 3.34Å; P746-W748 VanDerWaalsContact O-CD1 3.22Å; P746-W748 PolarHBondContact O-N 2.97Å; P746-W748 PolarHBondContact O-NE1 2.83Å | ||
| 747 | T | 30.5 | Very low | 33.6 | Very low | 141 Ų | 141 | 98.2 Ų | 98.2 | 87% | 0.865 | 54% | 0.536 | S | S | * | . | trans | -54.3 | 98.4 | 175.9 | 35.1 | 0 | 0 | 0 | 0 | 109.1 | S745 N749 | S745-T747 PolarHBondContact O-N 3.39Å; T747-N749 PolarHBondContact O-N 2.91Å | ||
| 748 | W | 38.3 | Very low | 33.9 | Very low | 126 Ų | 126 | 99.5 Ų | 99.5 | 48% | 0.477 | 55% | 0.549 | S | S | . | . | trans | -61.1 | 127.6 | -177.1 | -58.9 | 93.6 | 0 | 0 | 0 | 109.9 | P746 R750 | P746-W748 VanDerWaalsContact C-N 3.34Å; P746-W748 VanDerWaalsContact O-CD1 3.22Å; P746-W748 PolarHBondContact O-N 2.97Å; P746-W748 PolarHBondContact O-NE1 2.83Å; W748-R750 PolarHBondContact O-N 3.21Å | ||
| 749 | N | 33.6 | Very low | 33.7 | Very low | 128 Ų | 128 | 98.7 Ų | 98.7 | 68% | 0.684 | 55% | 0.545 | S | S | * | . | trans | -72.3 | 76.4 | 171 | -93.8 | -20.4 | 0 | 0 | 0 | 109.8 | T747 T751 L752 | T747-N749 PolarHBondContact O-N 2.91Å; N749-T751 PolarHBondContact O-N 3.47Å; N749-L752 HydrophobicContact CB-CD1 4.1Å; N749-L752 PolarHBondContact O-N 3.3Å; N749-L752 VanDerWaalsContact O-N 3.17Å | ||
| 750 | R | 37.9 | Very low | 33.7 | Very low | 154 Ų | 154 | 96.6 Ų | 96.6 | 58% | 0.581 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -49.1 | -24.1 | 177.7 | -69.6 | 179.1 | 174.4 | -173.3 | -4.3 | 114 | D726 W748 | D726-R750 PolarHBondContact O-NH2 3.39Å; D726-R750 IonicContact OD1-NH2 2.85Å; D726-R750 IonicContact OD2-CZ 3.03Å; D726-R750 IonicContact OD2-NE 3.54Å; D726-R750 IonicContact OD2-NH2 3.88Å; D726-R750 PolarHBondContact OD2-NH2 2.81Å; W748-R750 PolarHBondContact O-N 3.21Å |
| 751 | T | 42.2 | Very low | 33.7 | Very low | 109 Ų | 109 | 96.2 Ų | 96.2 | 67% | 0.669 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69.4 | -31.3 | -177.1 | -33.4 | 0 | 0 | 0 | 0 | 113.3 | N749 S755 | N749-T751 PolarHBondContact O-N 3.47Å; T751-S755 PolarHBondContact O-N 3.08Å; T751-S755 PolarHBondContact O-OG 3.28Å; T751-S755 VanDerWaalsContact O-OG 3.14Å |
| 752 | L | 42.4 | Very low | 33.7 | Very low | 105 Ų | 105 | 96.1 Ų | 96.1 | 55% | 0.55 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -74.1 | -46.5 | -171.9 | -72.4 | 169.3 | 0 | 0 | 0 | 113 | N749 R754 S755 S756 | N749-L752 HydrophobicContact CB-CD1 4.1Å; N749-L752 PolarHBondContact O-N 3.3Å; N749-L752 VanDerWaalsContact O-N 3.17Å; L752-R754 VanDerWaalsContact C-N 3.32Å; L752-R754 PolarHBondContact O-N 3.14Å; L752-S755 PolarHBondContact O-N 2.92Å; L752-S755 PolarHBondContact O-OG 2.67Å; L752-S756 PolarHBondContact O-N 3.4Å; L752-S756 VanDerWaalsContact O-N 3.15Å; L752-S756 PolarHBondContact O-OG 2.73Å; L752-S756 VanDerWaalsContact O-OG 3.1Å |
| 753 | L | 39.5 | Very low | 33.9 | Very low | 55 Ų | 55 | 97.9 Ų | 97.9 | 29% | 0.288 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.6 | -44.9 | 177.6 | -79.5 | 163.7 | 0 | 0 | 0 | 111.1 | E694 I698 S755 S756 F757 | E694-L753 HydrophobicContact CB-CD2 3.32Å; E694-L753 HydrophobicContact CB-CG 4.14Å; E694-L753 HydrophobicContact CG-CD2 3.92Å; E694-L753 HydrophobicContact CG-CG 4.44Å; I698-L753 HydrophobicContact CD1-CD1 4.37Å; I698-L753 HydrophobicContact CD1-CD2 4.32Å; L753-S755 PolarHBondContact O-N 2.53Å; L753-S756 PolarHBondContact O-N 2.82Å; L753-F757 HydrophobicContact CD2-CE2 4.02Å; L753-F757 WeakPolarHBondContact O-CD2 3.38Å; L753-F757 PolarHBondContact O-N 3.04Å |
| 754 | R | 41.7 | Very low | 33.8 | Very low | 166 Ų | 166 | 96.6 Ų | 96.6 | 63% | 0.626 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67 | -34.4 | -178.9 | -168.4 | 175.2 | 177.8 | -177.3 | -0.2 | 113.3 | L752 | L752-R754 VanDerWaalsContact C-N 3.32Å; L752-R754 PolarHBondContact O-N 3.14Å |
| 755 | S | 39.1 | Very low | 33.7 | Very low | 62 Ų | 62 | 97.7 Ų | 97.7 | 43% | 0.434 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -72.9 | -34.9 | 177.9 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | T751 L752 L753 A758 C759 | T751-S755 PolarHBondContact O-N 3.08Å; T751-S755 PolarHBondContact O-OG 3.28Å; T751-S755 VanDerWaalsContact O-OG 3.14Å; L752-S755 PolarHBondContact O-N 2.92Å; L752-S755 PolarHBondContact O-OG 2.67Å; L753-S755 PolarHBondContact O-N 2.53Å; S755-A758 PolarHBondContact O-N 3.38Å; S755-C759 PolarHBondContact O-N 2.82Å |
| 756 | S | 40.2 | Very low | 33.7 | Very low | 25 Ų | 25 | 99.5 Ų | 99.5 | 18% | 0.175 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -76.4 | -40.4 | -174.6 | -58.5 | 0 | 0 | 0 | 0 | 113.1 | E694 L752 L753 A758 C759 L760 | E694-S756 VanDerWaalsContact CD-CB 3.41Å; E694-S756 WeakPolarHBondContact OE1-CB 3.43Å; E694-S756 PolarHBondContact OE1-OG 3.35Å; L752-S756 PolarHBondContact O-N 3.4Å; L752-S756 VanDerWaalsContact O-N 3.15Å; L752-S756 PolarHBondContact O-OG 2.73Å; L752-S756 VanDerWaalsContact O-OG 3.1Å; L753-S756 PolarHBondContact O-N 2.82Å; S756-A758 PolarHBondContact O-N 2.73Å; S756-C759 PolarHBondContact O-N 2.78Å; S756-L760 PolarHBondContact O-N 2.81Å |
| 757 | F | 40.4 | Very low | 33.7 | Very low | 9 Ų | 9 | 102.1 Ų | 102.1 | 4% | 0.039 | 58% | 0.581 | C | S | . | * | H | α-helix | trans | -63.2 | -27.4 | 172.5 | -73.4 | -72.2 | 0 | 0 | 0 | 112.6 | L692 F695 M723 L753 C759 A779 | L692-F757 HydrophobicContact CD1-CD1 4Å; L692-F757 HydrophobicContact CD1-CE1 3.14Å; L692-F757 HydrophobicContact CD1-CE2 4.43Å; L692-F757 HydrophobicContact CD1-CZ 3.38Å; F695-F757 HydrophobicContact CZ-CZ 4.5Å; M723-F757 HydrophobicContact CE-CE1 3.97Å; M723-F757 HydrophobicContact CE-CE2 4.11Å; M723-F757 HydrophobicContact CE-CZ 3.47Å; M723-F757 VanDerWaalsContact CE-CZ 3.47Å; M723-F757 HydrophobicContact SD-CD2 4.4Å; M723-F757 HydrophobicContact SD-CE1 4.38Å; M723-F757 HydrophobicContact SD-CE2 3.72Å; M723-F757 HydrophobicContact SD-CZ 3.72Å; L753-F757 HydrophobicContact CD2-CE2 4.02Å; L753-F757 WeakPolarHBondContact O-CD2 3.38Å; L753-F757 PolarHBondContact O-N 3.04Å; F757-C759 VanDerWaalsContact C-N 3.34Å; F757-A779 HydrophobicContact CB-CB 4.09Å; F757-A779 HydrophobicContact CD1-CB 3.65Å; F757-A779 HydrophobicContact CG-CB 4.36Å; F757-A779 VanDerWaalsContact O-CB 3.29Å; F757-A779 WeakPolarHBondContact O-CB 3.18Å |
| 758 | A | 36.5 | Very low | 33.3 | Very low | 61 Ų | 61 | 101.1 Ų | 101.1 | 50% | 0.504 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -73.5 | -24.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S755 S756 | S755-A758 PolarHBondContact O-N 3.38Å; S756-A758 PolarHBondContact O-N 2.73Å |
| 759 | C | 29 | Very low | 32.9 | Very low | 99 Ų | 99 | 99.9 Ų | 99.9 | 67% | 0.669 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -86.6 | -17.9 | -175.8 | -149 | 0 | 0 | 0 | 0 | 113.6 | S755 S756 F757 S761 | S755-C759 PolarHBondContact O-N 2.82Å; S756-C759 PolarHBondContact O-N 2.78Å; F757-C759 VanDerWaalsContact C-N 3.34Å; C759-S761 PolarHBondContact O-N 2.78Å |
| 760 | L | 28.7 | Very low | 32.5 | Very low | 103 Ų | 103 | 103.7 Ų | 103.7 | 54% | 0.539 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.5 | -10 | 171.4 | -81.8 | 136.6 | 0 | 0 | 0 | 113.9 | L692 S756 V762 A779 | L692-L760 HydrophobicContact CD2-CD1 3.29Å; L692-L760 HydrophobicContact CD2-CG 4.5Å; S756-L760 PolarHBondContact O-N 2.81Å; L760-V762 PolarHBondContact O-N 2.83Å; L760-A779 HydrophobicContact CB-CB 3.94Å; L760-A779 HydrophobicContact CD1-CB 4.45Å |
| 761 | S | 31.1 | Very low | 31.8 | Very low | 73 Ų | 73 | 100.4 Ų | 100.4 | 51% | 0.51 | 62% | 0.615 | S | S | . | * | trans | -80 | 62.8 | 171.2 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | C759 D763 | C759-S761 PolarHBondContact O-N 2.78Å; S761-D763 PolarHBondContact O-N 3.42Å; S761-D763 VanDerWaalsContact O-N 3.1Å | ||
| 762 | V | 26.6 | Very low | 31.1 | Very low | 126 Ų | 126 | 100.6 Ų | 100.6 | 76% | 0.764 | 62% | 0.62 | S | S | * | * | trans | -82.4 | 76.2 | 165.3 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | L760 | L760-V762 PolarHBondContact O-N 2.83Š| ||
| 763 | D | 28.3 | Very low | 30.3 | Very low | 153 Ų | 153 | 100.7 Ų | 100.7 | 82% | 0.818 | 63% | 0.63 | S | S | * | * | trans | -121.6 | 89.6 | 145.7 | -91.6 | -28.9 | 0 | 0 | 0 | 105.8 | S761 T765 | S761-D763 PolarHBondContact O-N 3.42Å; S761-D763 VanDerWaalsContact O-N 3.1Å; D763-T765 PolarHBondContact O-N 3.46Å; D763-T765 VanDerWaalsContact O-N 3.11Å | ||
| 764 | G | 24.2 | Very low | 29.7 | Very low | 68 Ų | 68 | 101.7 Ų | 101.7 | 70% | 0.701 | 64% | 0.64 | S | S | * | * | trans | -71.2 | 98.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 765 | T | 25.5 | Very low | 29 | Very low | 127 Ų | 127 | 103.6 Ų | 103.6 | 78% | 0.779 | 65% | 0.648 | S | S | * | * | trans | -173.8 | 122.5 | 142.5 | 36.4 | 0 | 0 | 0 | 0 | 110.9 | D763 | D763-T765 PolarHBondContact O-N 3.46Å; D763-T765 VanDerWaalsContact O-N 3.11Å | ||
| 766 | S | 24.8 | Very low | 28.9 | Very low | 105 Ų | 105 | 103.2 Ų | 103.2 | 73% | 0.734 | 65% | 0.645 | S | S | * | * | trans | 86.9 | 120.9 | 143.4 | 89.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 767 | L | 26.6 | Very low | 28.8 | Very low | 150 Ų | 150 | 104.9 Ų | 104.9 | 79% | 0.785 | 66% | 0.657 | S | S | * | * | trans | 75.3 | 102.2 | 147.9 | -76.7 | 85.7 | 0 | 0 | 0 | 122.7 | ||||
| 768 | S | 23.1 | Very low | 29.2 | Very low | 119 Ų | 119 | 106.9 Ų | 106.9 | 83% | 0.832 | 67% | 0.671 | S | S | * | * | 22.3 | 105.6 | 113.5 | 171.2 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 769 | S | 29.5 | Very low | 29.7 | Very low | 100 Ų | 100 | 104.4 Ų | 104.4 | 70% | 0.699 | 65% | 0.651 | S | S | * | * | trans | -164 | 143.5 | 132.9 | 59.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 770 | K | 26 | Very low | 30.8 | Very low | 208 Ų | 208 | 100 Ų | 100 | 90% | 0.904 | 62% | 0.622 | S | S | * | * | trans | -50.2 | 131.8 | -169.5 | -69.1 | 166.8 | 173.8 | 173.8 | 0 | 116.1 | ||||
| 771 | G | 23.3 | Very low | 32 | Very low | 86 Ų | 86 | 99.8 Ų | 99.8 | 89% | 0.887 | 62% | 0.621 | S | S | * | * | trans | 57 | 66.7 | 130 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 772 | S | 26.7 | Very low | 33.1 | Very low | 113 Ų | 113 | 99.1 Ų | 99.1 | 79% | 0.79 | 62% | 0.617 | S | S | * | * | trans | -133.8 | 142.9 | 154.8 | 58.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 773 | S | 26.6 | Very low | 34.6 | Very low | 106 Ų | 106 | 94 Ų | 94 | 74% | 0.741 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -62.4 | 149.4 | -171.1 | -163.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 774 | C | 26.8 | Very low | 36.1 | Very low | 76 Ų | 76 | 88.3 Ų | 88.3 | 51% | 0.514 | 56% | 0.559 | S | S | . | * | trans | 55.6 | 79.4 | 164.4 | 64.7 | 0 | 0 | 0 | 0 | 120.6 | S776 | C774-S776 PolarHBondContact O-N 3.39Š| ||
| 775 | R | 26.5 | Very low | 37.8 | Very low | 207 Ų | 207 | 93.6 Ų | 93.6 | 78% | 0.781 | 56% | 0.563 | S | S | * | * | trans | -80 | 34.2 | 158.6 | -68.5 | -176.2 | 175 | -170.9 | -3.4 | 114.1 | ||||
| 776 | S | 36 | Very low | 39.6 | Very low | 53 Ų | 53 | 92.4 Ų | 92.4 | 37% | 0.371 | 54% | 0.544 | S | S | . | . | trans | -89.5 | -2 | -179 | 49.6 | 0 | 0 | 0 | 0 | 114.7 | C774 | C774-S776 PolarHBondContact O-N 3.39Š| ||
| 777 | S | 39.5 | Very low | 42.2 | Very low | 61 Ų | 61 | 87.5 Ų | 87.5 | 43% | 0.427 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -79.2 | -36.2 | -174.3 | 48.2 | 0 | 0 | 0 | 0 | 114.6 | A779 A780 D781 | S777-A779 PolarHBondContact O-N 2.94Å; S777-A780 PolarHBondContact O-N 2.69Å; S777-D781 WeakPolarHBondContact O-CB 3.4Å; S777-D781 PolarHBondContact O-N 2.81Å; S777-D781 VanDerWaalsContact O-OD2 3.06Å |
| 778 | S | 48.1 | Very low | 44.7 | Very low | 50 Ų | 50 | 80.5 Ų | 80.5 | 35% | 0.35 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.7 | -36.6 | -165 | 64.6 | 0 | 0 | 0 | 0 | 115.7 | S782 | S778-S782 WeakPolarHBondContact O-CB 3.48Å; S778-S782 PolarHBondContact O-N 3.4Å; S778-S782 PolarHBondContact O-OG 2.84Å |
| 779 | A | 46.9 | Very low | 47.4 | Very low | 9 Ų | 9 | 76.3 Ų | 76.3 | 7% | 0.074 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -80.9 | -33.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F757 L760 S777 D781 S782 L783 | F757-A779 HydrophobicContact CB-CB 4.09Å; F757-A779 HydrophobicContact CD1-CB 3.65Å; F757-A779 HydrophobicContact CG-CB 4.36Å; F757-A779 VanDerWaalsContact O-CB 3.29Å; F757-A779 WeakPolarHBondContact O-CB 3.18Å; L760-A779 HydrophobicContact CB-CB 3.94Å; L760-A779 HydrophobicContact CD1-CB 4.45Å; S777-A779 PolarHBondContact O-N 2.94Å; A779-D781 VanDerWaalsContact C-N 3.34Å; A779-S782 PolarHBondContact O-N 2.63Å; A779-L783 WeakPolarHBondContact O-CB 3.44Å; A779-L783 PolarHBondContact O-N 2.92Å |
| 780 | A | 51.9 | Low | 50 | Low | 8 Ų | 8 | 72.5 Ų | 72.5 | 7% | 0.066 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111 | M723 S777 S782 L783 A784 | M723-A780 HydrophobicContact CE-CB 3.93Å; M723-A780 HydrophobicContact SD-CB 4.33Å; S777-A780 PolarHBondContact O-N 2.69Å; A780-S782 VanDerWaalsContact C-N 3.32Å; A780-S782 PolarHBondContact O-N 2.7Å; A780-L783 PolarHBondContact O-N 3.46Å; A780-A784 WeakPolarHBondContact O-CB 3.12Å; A780-A784 PolarHBondContact O-N 3.16Å |
| 781 | D | 53.3 | Low | 53 | Low | 97 Ų | 97 | 62.6 Ų | 62.6 | 52% | 0.519 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.3 | -38.3 | 174.3 | -64.3 | -27.9 | 0 | 0 | 0 | 111.7 | S777 A779 K785 | S777-D781 WeakPolarHBondContact O-CB 3.4Å; S777-D781 PolarHBondContact O-N 2.81Å; S777-D781 VanDerWaalsContact O-OD2 3.06Å; A779-D781 VanDerWaalsContact C-N 3.34Å; D781-K785 WeakPolarHBondContact O-CB 3.18Å; D781-K785 PolarHBondContact O-N 2.84Å |
| 782 | S | 54.9 | Low | 56.2 | Low | 60 Ų | 60 | 58.8 Ų | 58.8 | 42% | 0.42 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.3 | -41.9 | 176.9 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | S778 A779 A780 K785 W786 | S778-S782 WeakPolarHBondContact O-CB 3.48Å; S778-S782 PolarHBondContact O-N 3.4Å; S778-S782 PolarHBondContact O-OG 2.84Å; A779-S782 PolarHBondContact O-N 2.63Å; A780-S782 VanDerWaalsContact C-N 3.32Å; A780-S782 PolarHBondContact O-N 2.7Å; S782-K785 WeakPolarHBondContact O-CB 3.5Å; S782-K785 PolarHBondContact O-N 2.88Å; S782-W786 PolarHBondContact O-N 3.47Å |
| 783 | L | 57.9 | Low | 59.4 | Low | 19 Ų | 19 | 53.4 Ų | 53.4 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67 | -41.8 | 175.9 | -146.8 | 118.7 | 0 | 0 | 0 | 111.1 | L691 L692 F695 L719 A779 A780 K785 W786 W787 | L691-L783 HydrophobicContact CB-CD1 4.17Å; L691-L783 HydrophobicContact CD1-CD2 4.27Å; L692-L783 HydrophobicContact CD1-CD1 3.7Å; L692-L783 HydrophobicContact CD2-CD1 4.33Å; L692-L783 HydrophobicContact CG-CD1 3.71Å; F695-L783 HydrophobicContact CE2-CD2 4.25Å; L719-L783 HydrophobicContact CD2-CD2 3.95Å; A779-L783 WeakPolarHBondContact O-CB 3.44Å; A779-L783 PolarHBondContact O-N 2.92Å; A780-L783 PolarHBondContact O-N 3.46Å; L783-K785 PolarHBondContact O-N 2.58Å; L783-W786 PolarHBondContact O-N 3.41Å; L783-W787 PolarHBondContact O-N 3.1Å |
| 784 | A | 59 | Low | 62.6 | Low | 33 Ų | 33 | 48.4 Ų | 48.4 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61 | -32.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | A780 W786 G788 | A780-A784 WeakPolarHBondContact O-CB 3.12Å; A780-A784 PolarHBondContact O-N 3.16Å; A784-W786 VanDerWaalsContact C-N 3.31Å; A784-W786 PolarHBondContact O-N 3.08Å; A784-G788 WeakPolarHBondContact CA-O 3.11Å; A784-G788 CarbonylContact O-C 3.51Å; A784-G788 VanDerWaalsContact O-CA 3.24Å; A784-G788 WeakPolarHBondContact O-CA 3.24Å; A784-G788 PolarHBondContact O-N 2.89Å; A784-G788 VanDerWaalsContact O-N 3.13Å |
| 785 | K | 61.5 | Low | 65.7 | Low | 178 Ų | 178 | 47 Ų | 47 | 77% | 0.774 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -70.6 | -21.5 | 175.2 | -168.6 | 173.1 | -179 | 178.2 | 0 | 113.9 | D781 S782 L783 | D781-K785 WeakPolarHBondContact O-CB 3.18Å; D781-K785 PolarHBondContact O-N 2.84Å; S782-K785 WeakPolarHBondContact O-CB 3.5Å; S782-K785 PolarHBondContact O-N 2.88Å; L783-K785 PolarHBondContact O-N 2.58Å |
| 786 | W | 63.6 | Low | 68.6 | Low | 103 Ų | 103 | 37.3 Ų | 37.3 | 39% | 0.39 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -105.4 | -32.2 | -174.3 | -66.5 | -9.1 | 0 | 0 | 0 | 114.6 | A667 C668 S782 L783 A784 | A667-W786 HydrophobicContact CB-CB 4.42Å; A667-W786 HydrophobicContact CB-CG 4.18Å; C668-W786 PolarHBondContact N-O 3.19Å; S782-W786 PolarHBondContact O-N 3.47Å; L783-W786 PolarHBondContact O-N 3.41Å; A784-W786 VanDerWaalsContact C-N 3.31Å; A784-W786 PolarHBondContact O-N 3.08Å |
| 787 | W | 78.5 | Confident | 70.8 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -128 | -6.3 | -174.7 | -68.8 | 81.3 | 0 | 0 | 0 | 113.8 | F557 L653 L665 V673 I687 L691 L783 I792 | F557-W787 HydrophobicContact CD2-CH2 4.46Å; F557-W787 HydrophobicContact CD2-CZ3 4.49Å; F557-W787 AromaticContact CE2-CH2 3.28Å; F557-W787 HydrophobicContact CE2-CH2 3.28Å; F557-W787 HydrophobicContact CE2-CZ2 4.07Å; F557-W787 AromaticContact CE2-CZ3 3.57Å; F557-W787 HydrophobicContact CE2-CZ3 3.57Å; F557-W787 AromaticContact CZ-CH2 3.39Å; F557-W787 HydrophobicContact CZ-CH2 3.39Å; F557-W787 AromaticContact CZ-CZ2 3.91Å; F557-W787 HydrophobicContact CZ-CZ2 3.91Å; F557-W787 HydrophobicContact CZ-CZ3 4.17Å; L653-W787 HydrophobicContact CD1-CH2 3.78Å; L653-W787 HydrophobicContact CD1-CZ2 4.34Å; L665-W787 HydrophobicContact CB-CZ2 4.35Å; L665-W787 HydrophobicContact CD1-CZ2 4.49Å; V673-W787 HydrophobicContact CB-CE3 3.92Å; V673-W787 HydrophobicContact CB-CZ3 4.38Å; V673-W787 HydrophobicContact CG1-CE3 4.13Å; V673-W787 HydrophobicContact CG1-CZ3 4.11Å; V673-W787 HydrophobicContact CG2-CE3 3.86Å; V673-W787 HydrophobicContact CG2-CZ3 4.32Å; V673-W787 PolarHBondContact N-O 3.44Å; V673-W787 VanDerWaalsContact N-O 3.09Å; I687-W787 HydrophobicContact CD1-CZ3 4.38Å; I687-W787 HydrophobicContact CG2-CE3 4.38Å; I687-W787 HydrophobicContact CG2-CH2 3.99Å; I687-W787 HydrophobicContact CG2-CZ3 3.84Å; L691-W787 HydrophobicContact CD1-CD2 4.09Å; L691-W787 HydrophobicContact CD1-CG 3.99Å; L691-W787 HydrophobicContact CD2-CD2 4.16Å; L691-W787 HydrophobicContact CD2-CG 4.24Å; L691-W787 HydrophobicContact CD2-CZ2 4.04Å; L783-W787 PolarHBondContact O-N 3.1Å; W787-I792 HydrophobicContact CB-CD1 3.67Å; W787-I792 HydrophobicContact CB-CG1 4.46Å; W787-I792 HydrophobicContact CD2-CD1 4.24Å; W787-I792 HydrophobicContact CE3-CD1 4.08Å; W787-I792 HydrophobicContact CG-CD1 4.08Å |
| 788 | G | 79.7 | Confident | 72.4 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | trans | 101.9 | 166.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | H671 N672 A784 K790 | H671-G788 WeakPolarHBondContact O-CA 3.18Å; N672-G788 WeakPolarHBondContact OD1-CA 3.41Å; A784-G788 WeakPolarHBondContact CA-O 3.11Å; A784-G788 CarbonylContact O-C 3.51Å; A784-G788 VanDerWaalsContact O-CA 3.24Å; A784-G788 WeakPolarHBondContact O-CA 3.24Å; A784-G788 PolarHBondContact O-N 2.89Å; A784-G788 VanDerWaalsContact O-N 3.13Å; G788-K790 VanDerWaalsContact C-N 3.3Å; G788-K790 PolarHBondContact O-N 3.4Å | ||
| 789 | S | 79.3 | Confident | 73.4 | Confident | 31 Ų | 31 | 38 Ų | 38 | 22% | 0.217 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -83.6 | -4.6 | -173.4 | 61.7 | 0 | 0 | 0 | 0 | 114.1 | N672 H718 L719 | N672-S789 PolarHBondContact OD1-N 2.82Å; N672-S789 VanDerWaalsContact OD1-N 3.14Å; H718-S789 PolarHBondContact CD2-O 3.11Å; H718-S789 WeakPolarHBondContact NE2-CB 3.29Å; L719-S789 WeakPolarHBondContact CB-O 3.13Å; L719-S789 PolarHBondContact N-O 2.78Å |
| 790 | K | 84.9 | Confident | 74.1 | Confident | 20 Ų | 20 | 43.7 Ų | 43.7 | 9% | 0.087 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -103.6 | 165.4 | -179.5 | -65.7 | 177.1 | -172.8 | 169 | 0 | 112.6 | Y674 L717 G788 G835 | Y674-K790 HydrophobicContact CE1-CD 3.98Å; Y674-K790 WeakPolarHBondContact OH-CD 3.25Å; Y674-K790 PolarHBondContact OH-NZ 3.36Å; L717-K790 HydrophobicContact CB-CG 4.49Å; L717-K790 CarbonylContact O-C 3.55Å; L717-K790 VanDerWaalsContact O-CA 3.23Å; L717-K790 WeakPolarHBondContact O-CA 3.22Å; L717-K790 WeakPolarHBondContact O-CB 3.13Å; G788-K790 VanDerWaalsContact C-N 3.3Å; G788-K790 PolarHBondContact O-N 3.4Å; K790-G835 WeakPolarHBondContact CE-O 3.4Å; K790-G835 PolarHBondContact NZ-O 2.81Å |
| 791 | R | 87.5 | Confident | 74.3 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | trans | -55.1 | 147.1 | 167.3 | -65.1 | -63.6 | -58.6 | -82.7 | -1.6 | 110.5 | E688 P699 V701 L717 Y794 | E688-R791 IonicContact OE1-CZ 2.75Å; E688-R791 IonicContact OE1-NE 2.97Å; E688-R791 PolarHBondContact OE1-NE 2.88Å; E688-R791 IonicContact OE1-NH2 3.6Å; E688-R791 PolarHBondContact OE1-NH2 3.38Å; E688-R791 IonicContact OE2-CZ 3.53Å; E688-R791 IonicContact OE2-NE 3.74Å; E688-R791 IonicContact OE2-NH2 2.69Å; E688-R791 PolarHBondContact OE2-NH2 2.83Å; P699-R791 PolarHBondContact O-NH2 3.44Å; V701-R791 HydrophobicContact CG2-CB 3.65Å; V701-R791 HydrophobicContact CG2-CG 3.67Å; L717-R791 PolarHBondContact O-N 3.14Å; R791-Y794 WeakPolarHBondContact O-CE2 3.4Å; R791-Y794 VanDerWaalsContact O-CZ 3.29Å; R791-Y794 PolarHBondContact O-OH 3.43Å | ||
| 792 | I | 91.5 | Very high | 74.6 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | trans | -103.6 | -42.1 | -175.6 | -59 | 166.2 | 0 | 0 | 0 | 110.5 | V673 N675 I687 E688 L691 W787 Y794 | V673-I792 HydrophobicContact CG1-CG2 4.46Å; N675-I792 HydrophobicContact CB-CG2 4.13Å; N675-I792 WeakPolarHBondContact CB-O 3.04Å; N675-I792 PolarHBondContact N-O 3.17Å; I687-I792 HydrophobicContact CB-CG2 4.19Å; I687-I792 HydrophobicContact CD1-CG2 4.33Å; I687-I792 HydrophobicContact CG2-CG2 4.42Å; E688-I792 HydrophobicContact CG-CB 3.89Å; E688-I792 PolarHBondContact OE1-N 2.81Å; L691-I792 HydrophobicContact CD1-CD1 3.28Å; W787-I792 HydrophobicContact CB-CD1 3.67Å; W787-I792 HydrophobicContact CB-CG1 4.46Å; W787-I792 HydrophobicContact CD2-CD1 4.24Å; W787-I792 HydrophobicContact CE3-CD1 4.08Å; W787-I792 HydrophobicContact CG-CD1 4.08Å; I792-Y794 WeakPolarHBondContact O-CD2 3.35Å; I792-Y794 WeakPolarHBondContact O-CE2 3.22Å | ||
| 793 | D | 93.2 | Very high | 75 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 116.6 | -172.6 | -73.1 | -35.3 | 0 | 0 | 0 | 112.5 | N675 Y677 R686 I687 E688 V701 | N675-D793 PolarHBondContact ND2-OD1 3.34Å; Y677-D793 HydrophobicContact CE1-CB 4.03Å; R686-D793 WeakPolarHBondContact CA-OD1 3.23Å; R686-D793 WeakPolarHBondContact CB-OD2 3.29Å; R686-D793 HydrophobicContact CG-CB 4.35Å; R686-D793 WeakPolarHBondContact CG-OD2 3.41Å; R686-D793 IonicContact CZ-OD2 3.84Å; R686-D793 IonicContact NE-OD2 3.34Å; R686-D793 PolarHBondContact NE-OD2 3.36Å; R686-D793 IonicContact NH2-OD2 3.86Å; I687-D793 PolarHBondContact N-OD1 3.4Å; I687-D793 PolarHBondContact N-OD2 2.79Å; I687-D793 VanDerWaalsContact N-OD2 3.14Å; E688-D793 WeakPolarHBondContact CB-OD2 3.5Å; E688-D793 HydrophobicContact CG-CB 4.12Å; E688-D793 VanDerWaalsContact CG-OD2 3.3Å; E688-D793 WeakPolarHBondContact CG-OD2 3.33Å; E688-D793 PolarHBondContact N-OD2 2.74Å; E688-D793 PolarHBondContact OE1-N 3.38Å; V701-D793 PolarHBondContact N-O 3.33Å |
| 794 | Y | 93.6 | Very high | 75 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 121.4 | 179.7 | -63.4 | -93.5 | 0 | 0 | 0 | 112 | Y674 N675 L676 Y677 V701 I703 L717 R791 I792 F827 | Y674-Y794 HydrophobicContact CD1-CD2 4.27Å; Y674-Y794 AromaticContact CD1-CE2 3.48Å; Y674-Y794 HydrophobicContact CD1-CE2 3.48Å; Y674-Y794 VanDerWaalsContact CD1-CE2 3.48Å; Y674-Y794 AromaticContact CD1-CZ 3.8Å; Y674-Y794 HydrophobicContact CE1-CE2 4.38Å; Y674-Y794 HydrophobicContact CG-CE2 4.28Å; N675-Y794 PolarHBondContact O-N 3.01Å; L676-Y794 WeakPolarHBondContact CA-O 3.23Å; Y677-Y794 WeakPolarHBondContact CD1-O 3.14Å; Y677-Y794 PolarHBondContact N-O 3.17Å; V701-Y794 HydrophobicContact CB-CD1 3.7Å; V701-Y794 HydrophobicContact CB-CE1 3.82Å; V701-Y794 HydrophobicContact CB-CG 4.49Å; V701-Y794 HydrophobicContact CG1-CD1 3.79Å; V701-Y794 HydrophobicContact CG1-CE1 3.76Å; V701-Y794 HydrophobicContact CG2-CE1 4.29Å; V701-Y794 CarbonylContact O-C 3.52Å; V701-Y794 VanDerWaalsContact O-CA 3.23Å; V701-Y794 WeakPolarHBondContact O-CA 3.37Å; I703-Y794 HydrophobicContact CG1-CD1 4.32Å; L717-Y794 HydrophobicContact CD1-CE1 4.38Å; L717-Y794 HydrophobicContact CD2-CE1 4.03Å; R791-Y794 WeakPolarHBondContact O-CE2 3.4Å; R791-Y794 VanDerWaalsContact O-CZ 3.29Å; R791-Y794 PolarHBondContact O-OH 3.43Å; I792-Y794 WeakPolarHBondContact O-CD2 3.35Å; I792-Y794 WeakPolarHBondContact O-CE2 3.22Å; Y794-F827 HydrophobicContact CD1-CE1 4.43Å; Y794-F827 AromaticContact CD1-CE2 3.55Å; Y794-F827 HydrophobicContact CD1-CE2 3.55Å; Y794-F827 AromaticContact CD1-CZ 3.47Å; Y794-F827 HydrophobicContact CD1-CZ 3.47Å; Y794-F827 VanDerWaalsContact CD1-CZ 3.47Å; Y794-F827 HydrophobicContact CD2-CZ 4.06Å; Y794-F827 AromaticContact CE1-CE2 3.48Å; Y794-F827 HydrophobicContact CE1-CE2 3.48Å; Y794-F827 VanDerWaalsContact CE1-CE2 3.48Å; Y794-F827 AromaticContact CE1-CZ 3.37Å; Y794-F827 HydrophobicContact CE1-CZ 3.37Å; Y794-F827 HydrophobicContact CE2-CZ 4.01Å; Y794-F827 HydrophobicContact CG-CE1 4.42Å; Y794-F827 HydrophobicContact CG-CE2 4.31Å; Y794-F827 AromaticContact CG-CZ 3.82Å; Y794-F827 HydrophobicContact CG-CZ 3.82Å; Y794-F827 AromaticContact CZ-CZ 3.68Å |
| 795 | E | 91.7 | Very high | 75.2 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 22% | 0.22 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.5 | -178.8 | -174.6 | -175.1 | 161.7 | 0 | 0 | 110.4 | Y677 A679 S700 V701 K702 I703 | Y677-E795 WeakPolarHBondContact O-CA 3.15Å; A679-E795 HydrophobicContact CB-CG 4.24Å; S700-E795 PolarHBondContact OG-OE2 2.76Å; V701-E795 PolarHBondContact O-N 3.16Å; K702-E795 WeakPolarHBondContact CA-O 3.33Å; I703-E795 PolarHBondContact N-O 3.47Å |
| 796 | L | 89.1 | Confident | 75.2 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 143.4 | 172.4 | -74 | 162.3 | 0 | 0 | 0 | 110.7 | Y677 Y678 I703 A798 F818 V824 | Y677-L796 PolarHBondContact O-N 2.94Å; Y678-L796 HydrophobicContact CD1-CB 3.7Å; Y678-L796 HydrophobicContact CD2-CD1 4.32Å; Y678-L796 HydrophobicContact CE1-CB 3.41Å; Y678-L796 VanDerWaalsContact CE1-CB 3.41Å; Y678-L796 HydrophobicContact CE1-CD1 4.22Å; Y678-L796 HydrophobicContact CE1-CG 4.42Å; Y678-L796 HydrophobicContact CE2-CB 4.38Å; Y678-L796 HydrophobicContact CE2-CD1 3.74Å; Y678-L796 HydrophobicContact CG-CB 4.33Å; I703-L796 HydrophobicContact CB-CD2 3.92Å; I703-L796 HydrophobicContact CD1-CD2 3.67Å; I703-L796 HydrophobicContact CD1-CG 4.03Å; I703-L796 HydrophobicContact CG1-CD2 4.33Å; I703-L796 HydrophobicContact CG2-CD2 3.92Å; L796-A798 PolarHBondContact O-N 2.87Å; L796-A798 VanDerWaalsContact O-N 3.16Å; L796-F818 HydrophobicContact CD1-CD1 3.78Å; L796-F818 HydrophobicContact CD1-CE1 3.35Å; L796-F818 HydrophobicContact CD1-CZ 4.18Å; L796-V824 HydrophobicContact CD1-CG2 3.72Å; L796-V824 HydrophobicContact CD2-CG2 3.6Å; L796-V824 HydrophobicContact CG-CG2 4.32Å |
| 797 | F | 81.1 | Confident | 75.2 | Confident | 127 Ų | 127 | 43 Ų | 43 | 56% | 0.557 | 22% | 0.221 | S | C | * | . | trans | -66.9 | 114.5 | 174.2 | 178 | -103 | 0 | 0 | 0 | 110.7 | P799 | F797-P799 HydrophobicContact CE1-CG 3.93Å; F797-P799 HydrophobicContact CZ-CG 4.5Å | ||
| 798 | A | 73 | Confident | 74.4 | Confident | 17 Ų | 17 | 46.7 Ų | 46.7 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | trans | -106.9 | 126.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y678 L796 D800 L802 F814 | Y678-A798 HydrophobicContact CD1-CB 3.8Å; Y678-A798 HydrophobicContact CE1-CB 4.36Å; L796-A798 PolarHBondContact O-N 2.87Å; L796-A798 VanDerWaalsContact O-N 3.16Å; A798-D800 PolarHBondContact O-N 3.21Å; A798-L802 HydrophobicContact CB-CD1 4.25Å; A798-F814 HydrophobicContact CB-CE1 4.15Å | ||
| 799 | P | 69.6 | Low | 73.8 | Confident | 35 Ų | 35 | 48.8 Ų | 48.8 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | trans | -59.5 | 135.3 | 167 | -18.9 | 29.2 | 0 | 0 | 0 | 110.2 | F797 D801 L802 | F797-P799 HydrophobicContact CE1-CG 3.93Å; F797-P799 HydrophobicContact CZ-CG 4.5Å; P799-D801 PolarHBondContact O-N 3.44Å; P799-L802 WeakPolarHBondContact O-CB 3.49Å; P799-L802 PolarHBondContact O-N 3.41Å | ||
| 800 | D | 60.7 | Low | 73.5 | Confident | 128 Ų | 128 | 47.6 Ų | 47.6 | 68% | 0.684 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -55.5 | -25.2 | 175.1 | -66.5 | -33.8 | 0 | 0 | 0 | 112.2 | A798 L802 L803 | A798-D800 PolarHBondContact O-N 3.21Å; D800-L802 PolarHBondContact O-N 3.41Å; D800-L803 VanDerWaalsContact O-CB 3.23Å; D800-L803 WeakPolarHBondContact O-CB 3.22Å; D800-L803 WeakPolarHBondContact O-CG 3.35Å; D800-L803 PolarHBondContact O-N 2.97Å; D800-L803 VanDerWaalsContact O-N 3.1Å |
| 801 | D | 56.5 | Low | 73.1 | Confident | 34 Ų | 34 | 47 Ų | 47 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -65.8 | -21.6 | 176.6 | -70.3 | -39.6 | 0 | 0 | 0 | 114 | P799 L803 R804 S1157 V1158 | P799-D801 PolarHBondContact O-N 3.44Å; D801-L803 PolarHBondContact O-N 2.89Å; D801-R804 WeakPolarHBondContact O-CB 3.35Å; D801-R804 WeakPolarHBondContact O-CG 3.36Å; D801-R804 PolarHBondContact O-N 3.42Å; D801-R804 IonicContact OD1-CZ 3.34Å; D801-R804 VanDerWaalsContact OD1-CZ 3.28Å; D801-R804 IonicContact OD1-NE 3.32Å; D801-R804 PolarHBondContact OD1-NE 3.18Å; D801-R804 IonicContact OD1-NH2 2.92Å; D801-R804 PolarHBondContact OD1-NH2 3.13Å; D801-S1157 WeakPolarHBondContact OD1-CA 3.34Å; D801-V1158 HydrophobicContact CB-CG2 4.36Å |
| 802 | L | 60.7 | Low | 72.6 | Confident | 29 Ų | 29 | 49.8 Ų | 49.8 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -62.2 | -34.2 | 171.9 | -71.6 | 178.2 | 0 | 0 | 0 | 110.8 | A798 P799 D800 R804 L805 L810 F813 F814 | A798-L802 HydrophobicContact CB-CD1 4.25Å; P799-L802 WeakPolarHBondContact O-CB 3.49Å; P799-L802 PolarHBondContact O-N 3.41Å; D800-L802 PolarHBondContact O-N 3.41Å; L802-R804 PolarHBondContact O-N 3.4Å; L802-L805 HydrophobicContact CD2-CD1 3.88Å; L802-L805 VanDerWaalsContact O-CB 3.28Å; L802-L805 WeakPolarHBondContact O-CB 3.37Å; L802-L805 PolarHBondContact O-N 3.19Å; L802-L810 HydrophobicContact CB-CD2 4.19Å; L802-L810 VanDerWaalsContact O-CD2 3.24Å; L802-L810 WeakPolarHBondContact O-CD2 3.38Å; L802-F813 HydrophobicContact CD1-CD1 4.05Å; L802-F813 HydrophobicContact CD1-CE1 3.54Å; L802-F813 HydrophobicContact CD1-CZ 4.41Å; L802-F813 HydrophobicContact CD2-CD1 4.12Å; L802-F813 HydrophobicContact CD2-CE1 3.63Å; L802-F813 HydrophobicContact CD2-CE2 4.5Å; L802-F813 HydrophobicContact CD2-CZ 3.84Å; L802-F813 HydrophobicContact CG-CE1 4.27Å; L802-F814 HydrophobicContact CD1-CE1 3.82Å; L802-F814 HydrophobicContact CD1-CZ 4.49Å |
| 803 | L | 62.7 | Low | 72.1 | Confident | 94 Ų | 94 | 54 Ų | 54 | 49% | 0.492 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -58.6 | -13.3 | 177.7 | -60.3 | 172.4 | 0 | 0 | 0 | 113.5 | D800 D801 | D800-L803 VanDerWaalsContact O-CB 3.23Å; D800-L803 WeakPolarHBondContact O-CB 3.22Å; D800-L803 WeakPolarHBondContact O-CG 3.35Å; D800-L803 PolarHBondContact O-N 2.97Å; D800-L803 VanDerWaalsContact O-N 3.1Å; D801-L803 PolarHBondContact O-N 2.89Å |
| 804 | R | 58.7 | Low | 71.6 | Confident | 110 Ų | 110 | 54.1 Ų | 54.1 | 42% | 0.415 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -85 | -16 | 175 | -51.7 | -176.8 | -167.1 | -144.1 | -7.2 | 113.6 | D801 L802 S1157 V1158 | D801-R804 WeakPolarHBondContact O-CB 3.35Å; D801-R804 WeakPolarHBondContact O-CG 3.36Å; D801-R804 PolarHBondContact O-N 3.42Å; D801-R804 IonicContact OD1-CZ 3.34Å; D801-R804 VanDerWaalsContact OD1-CZ 3.28Å; D801-R804 IonicContact OD1-NE 3.32Å; D801-R804 PolarHBondContact OD1-NE 3.18Å; D801-R804 IonicContact OD1-NH2 2.92Å; D801-R804 PolarHBondContact OD1-NH2 3.13Å; L802-R804 PolarHBondContact O-N 3.4Å; R804-S1157 PolarHBondContact NH1-OG 2.53Å; R804-S1157 PolarHBondContact NH2-OG 3.37Å; R804-V1158 WeakPolarHBondContact CD-O 3.46Å; R804-V1158 VanDerWaalsContact CZ-N 3.35Å; R804-V1158 PolarHBondContact NH1-O 2.98Å |
| 805 | L | 62.2 | Low | 71.2 | Confident | 48 Ų | 48 | 55.6 Ų | 55.6 | 25% | 0.251 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -64.3 | 149.5 | 168 | -65.9 | 177.2 | 0 | 0 | 0 | 108.7 | L802 F807 L810 | L802-L805 HydrophobicContact CD2-CD1 3.88Å; L802-L805 VanDerWaalsContact O-CB 3.28Å; L802-L805 WeakPolarHBondContact O-CB 3.37Å; L802-L805 PolarHBondContact O-N 3.19Å; L805-F807 PolarHBondContact O-N 3.39Å; L805-F807 VanDerWaalsContact O-N 3.16Å; L805-L810 HydrophobicContact CB-CD2 4.07Å; L805-L810 HydrophobicContact CD1-CD2 4.39Å |
| 806 | P | 62.2 | Low | 70.8 | Confident | 86 Ų | 86 | 55 Ų | 55 | 56% | 0.558 | 29% | 0.291 | S | S | * | . | trans | -50.7 | 128.2 | 172 | -24.7 | 33.4 | 0 | 0 | 0 | 109.5 | L808 S809 | P806-L808 PolarHBondContact O-N 3.25Å; P806-S809 WeakPolarHBondContact O-CB 3.29Å; P806-S809 PolarHBondContact O-N 2.98Å; P806-S809 PolarHBondContact O-OG 3.5Å | ||
| 807 | F | 63.3 | Low | 70.7 | Confident | 83 Ų | 83 | 56.1 Ų | 56.1 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -50.1 | -37 | -174.6 | -175.2 | -86 | 0 | 0 | 0 | 112.9 | A497 L805 S809 L810 | A497-F807 VanDerWaalsContact CA-CE1 3.4Å; A497-F807 HydrophobicContact CB-CD1 4.48Å; A497-F807 HydrophobicContact CB-CE1 4.15Å; A497-F807 HydrophobicContact CB-CZ 4.4Å; A497-F807 WeakPolarHBondContact O-CE1 3.35Å; A497-F807 VanDerWaalsContact O-CZ 3.31Å; A497-F807 WeakPolarHBondContact O-CZ 3.45Å; L805-F807 PolarHBondContact O-N 3.39Å; L805-F807 VanDerWaalsContact O-N 3.16Å; F807-S809 VanDerWaalsContact C-N 3.26Å; F807-S809 PolarHBondContact O-N 3.49Å; F807-L810 HydrophobicContact CD2-CD1 4.2Å; F807-L810 WeakPolarHBondContact O-CB 3.36Å; F807-L810 PolarHBondContact O-N 2.99Å; F807-L810 VanDerWaalsContact O-N 3.13Å |
| 808 | L | 61 | Low | 71.1 | Confident | 79 Ų | 79 | 50.4 Ų | 50.4 | 41% | 0.414 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.5 | -29.7 | 175.8 | -73.4 | 167.9 | 0 | 0 | 0 | 114.7 | W496 P806 | W496-L808 HydrophobicContact CB-CD2 3.35Å; W496-L808 HydrophobicContact CB-CG 4.48Å; W496-L808 HydrophobicContact CG-CD2 3.77Å; P806-L808 PolarHBondContact O-N 3.25Å |
| 809 | S | 68 | Low | 71.8 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 33% | 0.329 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -84.3 | -16.7 | 178.7 | 65.4 | 0 | 0 | 0 | 0 | 113.3 | P806 F807 F813 | P806-S809 WeakPolarHBondContact O-CB 3.29Å; P806-S809 PolarHBondContact O-N 2.98Å; P806-S809 PolarHBondContact O-OG 3.5Å; F807-S809 VanDerWaalsContact C-N 3.26Å; F807-S809 PolarHBondContact O-N 3.49Å; S809-F813 WeakPolarHBondContact O-CB 3.43Å; S809-F813 PolarHBondContact O-N 2.96Å |
| 810 | L | 72.7 | Confident | 72.5 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -47.4 | -176.9 | -73.2 | 178.3 | 0 | 0 | 0 | 112 | L802 L805 F807 S812 F813 F814 | L802-L810 HydrophobicContact CB-CD2 4.19Å; L802-L810 VanDerWaalsContact O-CD2 3.24Å; L802-L810 WeakPolarHBondContact O-CD2 3.38Å; L805-L810 HydrophobicContact CB-CD2 4.07Å; L805-L810 HydrophobicContact CD1-CD2 4.39Å; F807-L810 HydrophobicContact CD2-CD1 4.2Å; F807-L810 WeakPolarHBondContact O-CB 3.36Å; F807-L810 PolarHBondContact O-N 2.99Å; F807-L810 VanDerWaalsContact O-N 3.13Å; L810-S812 VanDerWaalsContact C-N 3.34Å; L810-S812 PolarHBondContact O-N 3.46Å; L810-F813 WeakPolarHBondContact O-CB 3.28Å; L810-F813 PolarHBondContact O-N 2.93Å; L810-F813 VanDerWaalsContact O-N 3.13Å; L810-F814 HydrophobicContact CB-CD2 4.18Å; L810-F814 HydrophobicContact CB-CE2 3.77Å; L810-F814 HydrophobicContact CB-CZ 4.49Å; L810-F814 HydrophobicContact CD2-CE2 4.2Å; L810-F814 HydrophobicContact CD2-CZ 4.09Å; L810-F814 HydrophobicContact CG-CE2 4.43Å; L810-F814 WeakPolarHBondContact O-CB 3.44Å; L810-F814 WeakPolarHBondContact O-CD2 3.43Å; L810-F814 VanDerWaalsContact O-CG 3.31Å; L810-F814 WeakPolarHBondContact O-CG 3.31Å; L810-F814 PolarHBondContact O-N 3.48Å |
| 811 | S | 75.8 | Confident | 73.6 | Confident | 7 Ų | 7 | 49.1 Ų | 49.1 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.2 | -43.4 | -179 | -60 | 0 | 0 | 0 | 0 | 112 | H419 D681 F813 F814 Y815 | H419-S811 PolarHBondContact NE2-O 3.05Å; D681-S811 PolarHBondContact OD1-OG 2.94Å; S811-F813 PolarHBondContact O-N 2.78Å; S811-F814 PolarHBondContact O-N 3.33Å; S811-Y815 WeakPolarHBondContact O-CB 3.46Å; S811-Y815 PolarHBondContact O-N 3.46Å |
| 812 | S | 76.7 | Confident | 74.9 | Confident | 60 Ų | 60 | 50.1 Ų | 50.1 | 42% | 0.42 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.8 | -37.7 | 175.3 | -60.9 | 0 | 0 | 0 | 0 | 112.8 | L810 A816 | L810-S812 VanDerWaalsContact C-N 3.34Å; L810-S812 PolarHBondContact O-N 3.46Å; S812-A816 PolarHBondContact O-N 3.31Å; S812-A816 VanDerWaalsContact O-N 3.16Å |
| 813 | F | 80.7 | Confident | 76.1 | Confident | 95 Ų | 95 | 50.5 Ų | 50.5 | 42% | 0.417 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.3 | -47 | 175.9 | -178.5 | -89.5 | 0 | 0 | 0 | 111.6 | L802 S809 L810 S811 Y815 A816 S817 | L802-F813 HydrophobicContact CD1-CD1 4.05Å; L802-F813 HydrophobicContact CD1-CE1 3.54Å; L802-F813 HydrophobicContact CD1-CZ 4.41Å; L802-F813 HydrophobicContact CD2-CD1 4.12Å; L802-F813 HydrophobicContact CD2-CE1 3.63Å; L802-F813 HydrophobicContact CD2-CE2 4.5Å; L802-F813 HydrophobicContact CD2-CZ 3.84Å; L802-F813 HydrophobicContact CG-CE1 4.27Å; S809-F813 WeakPolarHBondContact O-CB 3.43Å; S809-F813 PolarHBondContact O-N 2.96Å; L810-F813 WeakPolarHBondContact O-CB 3.28Å; L810-F813 PolarHBondContact O-N 2.93Å; L810-F813 VanDerWaalsContact O-N 3.13Å; S811-F813 PolarHBondContact O-N 2.78Å; F813-Y815 VanDerWaalsContact C-N 3.31Å; F813-Y815 PolarHBondContact O-N 2.94Å; F813-A816 PolarHBondContact O-N 2.9Å; F813-S817 WeakPolarHBondContact O-CB 3.24Å; F813-S817 PolarHBondContact O-N 3.5Å |
| 814 | F | 84.3 | Confident | 77.4 | Confident | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.4 | -39.4 | 177.1 | -66.9 | -42.4 | 0 | 0 | 0 | 111.7 | Y678 D681 A798 L802 L810 S811 S817 F818 | Y678-F814 AromaticContact CD1-CD1 3.89Å; Y678-F814 HydrophobicContact CD1-CD1 3.89Å; Y678-F814 AromaticContact CD1-CE1 3.98Å; Y678-F814 HydrophobicContact CD1-CE1 3.98Å; Y678-F814 HydrophobicContact CD2-CB 3.65Å; Y678-F814 AromaticContact CD2-CD1 3.48Å; Y678-F814 HydrophobicContact CD2-CD1 3.48Å; Y678-F814 VanDerWaalsContact CD2-CD1 3.48Å; Y678-F814 HydrophobicContact CD2-CE1 4.33Å; Y678-F814 AromaticContact CD2-CG 3.71Å; Y678-F814 HydrophobicContact CD2-CG 3.71Å; Y678-F814 HydrophobicContact CE1-CD1 4.24Å; Y678-F814 HydrophobicContact CE2-CB 4.08Å; Y678-F814 AromaticContact CE2-CD1 3.89Å; Y678-F814 HydrophobicContact CE2-CD1 3.89Å; Y678-F814 HydrophobicContact CE2-CG 4.34Å; Y678-F814 HydrophobicContact CG-CB 4.4Å; Y678-F814 AromaticContact CG-CD1 3.47Å; Y678-F814 HydrophobicContact CG-CD1 3.47Å; Y678-F814 VanDerWaalsContact CG-CD1 3.47Å; Y678-F814 AromaticContact CG-CE1 3.86Å; Y678-F814 HydrophobicContact CG-CE1 3.86Å; Y678-F814 AromaticContact CG-CG 3.95Å; Y678-F814 HydrophobicContact CG-CG 3.95Å; D681-F814 HydrophobicContact CB-CD2 3.72Å; D681-F814 HydrophobicContact CB-CE2 4.17Å; D681-F814 HydrophobicContact CB-CG 4.48Å; A798-F814 HydrophobicContact CB-CE1 4.15Å; L802-F814 HydrophobicContact CD1-CE1 3.82Å; L802-F814 HydrophobicContact CD1-CZ 4.49Å; L810-F814 HydrophobicContact CB-CD2 4.18Å; L810-F814 HydrophobicContact CB-CE2 3.77Å; L810-F814 HydrophobicContact CB-CZ 4.49Å; L810-F814 HydrophobicContact CD2-CE2 4.2Å; L810-F814 HydrophobicContact CD2-CZ 4.09Å; L810-F814 HydrophobicContact CG-CE2 4.43Å; L810-F814 WeakPolarHBondContact O-CB 3.44Å; L810-F814 WeakPolarHBondContact O-CD2 3.43Å; L810-F814 VanDerWaalsContact O-CG 3.31Å; L810-F814 WeakPolarHBondContact O-CG 3.31Å; L810-F814 PolarHBondContact O-N 3.48Å; S811-F814 PolarHBondContact O-N 3.33Å; F814-S817 WeakPolarHBondContact O-CB 3.35Å; F814-S817 PolarHBondContact O-N 3.15Å; F814-F818 WeakPolarHBondContact O-CD2 3.5Å; F814-F818 WeakPolarHBondContact O-CE2 3.2Å; F814-F818 PolarHBondContact O-N 3.27Å |
| 815 | Y | 84.7 | Confident | 78.8 | Confident | 32 Ų | 32 | 40.8 Ų | 40.8 | 13% | 0.125 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.7 | -53.4 | 174.7 | 179.3 | -95.7 | 0 | 0 | 0 | 113 | H416 G418 H419 D549 S811 F813 S817 F818 W819 | H416-Y815 PolarHBondContact CE1-OH 3.44Å; H416-Y815 PolarHBondContact NE2-OH 3.37Å; G418-Y815 VanDerWaalsContact CA-OH 3.32Å; G418-Y815 WeakPolarHBondContact CA-OH 3.42Å; H419-Y815 HydrophobicContact CB-CD1 4.08Å; H419-Y815 HydrophobicContact CB-CD2 4Å; H419-Y815 HydrophobicContact CB-CE1 4.19Å; H419-Y815 HydrophobicContact CB-CE2 4.09Å; H419-Y815 HydrophobicContact CB-CG 3.99Å; H419-Y815 VanDerWaalsContact CD2-CB 3.42Å; H419-Y815 WeakPolarHBondContact CD2-CB 3.09Å; H419-Y815 AromaticContact CD2-CD2 3.72Å; H419-Y815 AromaticContact CD2-CG 3.56Å; D549-Y815 HydrophobicContact CB-CE2 3.94Å; D549-Y815 PolarHBondContact OD2-OH 2.75Å; S811-Y815 WeakPolarHBondContact O-CB 3.46Å; S811-Y815 PolarHBondContact O-N 3.46Å; F813-Y815 VanDerWaalsContact C-N 3.31Å; F813-Y815 PolarHBondContact O-N 2.94Å; Y815-S817 VanDerWaalsContact C-N 3.25Å; Y815-S817 PolarHBondContact O-N 3Å; Y815-F818 PolarHBondContact O-N 3.12Å; Y815-W819 AromaticContact CE1-NE1 3.82Å; Y815-W819 AromaticContact CZ-NE1 3.61Å |
| 816 | A | 83.8 | Confident | 79.8 | Confident | 36 Ų | 36 | 38.5 Ų | 38.5 | 30% | 0.298 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.7 | -38.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S812 F813 F818 W819 E820 | S812-A816 PolarHBondContact O-N 3.31Å; S812-A816 VanDerWaalsContact O-N 3.16Å; F813-A816 PolarHBondContact O-N 2.9Å; A816-F818 VanDerWaalsContact C-N 3.27Å; A816-F818 PolarHBondContact O-N 2.72Å; A816-W819 PolarHBondContact O-N 3.29Å; A816-W819 VanDerWaalsContact O-N 3.12Å; A816-E820 PolarHBondContact O-N 2.97Å |
| 817 | S | 85.4 | Confident | 81.1 | Confident | 25 Ų | 25 | 34.8 Ų | 34.8 | 18% | 0.175 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60 | -30.9 | -179.5 | -172.7 | 0 | 0 | 0 | 0 | 113.6 | Y678 F813 F814 Y815 W819 E820 S821 | Y678-S817 WeakPolarHBondContact OH-CB 3.15Å; Y678-S817 PolarHBondContact OH-OG 3.36Å; F813-S817 WeakPolarHBondContact O-CB 3.24Å; F813-S817 PolarHBondContact O-N 3.5Å; F814-S817 WeakPolarHBondContact O-CB 3.35Å; F814-S817 PolarHBondContact O-N 3.15Å; Y815-S817 VanDerWaalsContact C-N 3.25Å; Y815-S817 PolarHBondContact O-N 3Å; S817-W819 VanDerWaalsContact C-N 3.28Å; S817-W819 PolarHBondContact O-N 3.37Å; S817-E820 PolarHBondContact O-N 3.22Å; S817-S821 WeakPolarHBondContact O-CA 3.29Å; S817-S821 WeakPolarHBondContact O-CB 3.32Å; S817-S821 PolarHBondContact O-N 3.07Å |
| 818 | F | 89.7 | Confident | 82.4 | Confident | 7 Ų | 7 | 30.8 Ų | 30.8 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63 | -34.6 | 176.9 | -73.1 | -74.1 | 0 | 0 | 0 | 113.2 | F645 G646 L676 Y678 L796 F814 Y815 A816 V824 | F645-F818 HydrophobicContact CB-CB 3.94Å; F645-F818 HydrophobicContact CB-CD1 3.73Å; F645-F818 HydrophobicContact CB-CD2 4.28Å; F645-F818 HydrophobicContact CB-CE1 4.28Å; F645-F818 HydrophobicContact CB-CG 3.74Å; F645-F818 HydrophobicContact CD1-CD1 4.27Å; F645-F818 HydrophobicContact CD2-CB 4.22Å; F645-F818 HydrophobicContact CG-CB 4.16Å; F645-F818 HydrophobicContact CG-CD1 4.09Å; F645-F818 HydrophobicContact CG-CG 4.3Å; G646-F818 VanDerWaalsContact N-CZ 3.28Å; L676-F818 HydrophobicContact CB-CE1 4.13Å; L676-F818 WeakPolarHBondContact O-CE1 3.48Å; Y678-F818 HydrophobicContact CD2-CE1 4.42Å; Y678-F818 AromaticContact CD2-CE2 4Å; Y678-F818 HydrophobicContact CD2-CE2 4Å; Y678-F818 AromaticContact CD2-CZ 3.74Å; Y678-F818 HydrophobicContact CD2-CZ 3.74Å; Y678-F818 HydrophobicContact CE2-CD2 4.44Å; Y678-F818 HydrophobicContact CE2-CE1 4.16Å; Y678-F818 AromaticContact CE2-CE2 3.98Å; Y678-F818 HydrophobicContact CE2-CE2 3.98Å; Y678-F818 AromaticContact CE2-CZ 3.82Å; Y678-F818 HydrophobicContact CE2-CZ 3.82Å; L796-F818 HydrophobicContact CD1-CD1 3.78Å; L796-F818 HydrophobicContact CD1-CE1 3.35Å; L796-F818 HydrophobicContact CD1-CZ 4.18Å; F814-F818 WeakPolarHBondContact O-CD2 3.5Å; F814-F818 WeakPolarHBondContact O-CE2 3.2Å; F814-F818 PolarHBondContact O-N 3.27Å; Y815-F818 PolarHBondContact O-N 3.12Å; A816-F818 VanDerWaalsContact C-N 3.27Å; A816-F818 PolarHBondContact O-N 2.72Å; F818-V824 HydrophobicContact CD1-CG2 4.36Å |
| 819 | W | 88.3 | Confident | 83.6 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -83.8 | -27.2 | -178.8 | -56.6 | 122.5 | 0 | 0 | 0 | 113.2 | V414 H416 D436 F440 D549 F645 Y815 A816 S817 | V414-W819 HydrophobicContact CG1-CH2 3.51Å; V414-W819 HydrophobicContact CG1-CZ3 3.56Å; H416-W819 AromaticContact CD2-CE2 3.82Å; H416-W819 AromaticContact CD2-CH2 3.83Å; H416-W819 AromaticContact CD2-CZ2 3.25Å; H416-W819 WeakPolarHBondContact CD2-CZ2 3.36Å; H416-W819 AromaticContact NE2-CE2 3.82Å; H416-W819 AromaticContact NE2-CZ2 3.64Å; H416-W819 AromaticContact NE2-NE1 3.78Å; D436-W819 HydrophobicContact CB-CB 4.41Å; D436-W819 HydrophobicContact CB-CD2 4.24Å; D436-W819 HydrophobicContact CB-CG 3.95Å; F440-W819 WeakPolarHBondContact CA-O 3.13Å; F440-W819 HydrophobicContact CB-CE3 3.9Å; F440-W819 HydrophobicContact CD1-CE3 4.4Å; F440-W819 HydrophobicContact CD1-CZ3 4.45Å; F440-W819 HydrophobicContact CD2-CE3 4.3Å; F440-W819 AromaticContact CG-CE3 3.95Å; F440-W819 HydrophobicContact CG-CE3 3.95Å; F440-W819 HydrophobicContact CG-CZ3 4.44Å; D549-W819 HydrophobicContact CB-CH2 4.22Å; D549-W819 HydrophobicContact CB-CZ2 3.58Å; F645-W819 HydrophobicContact CD2-CE3 4.21Å; F645-W819 HydrophobicContact CD2-CH2 4.15Å; F645-W819 AromaticContact CD2-CZ3 3.85Å; F645-W819 HydrophobicContact CD2-CZ3 3.85Å; F645-W819 HydrophobicContact CE2-CE3 4.14Å; F645-W819 HydrophobicContact CE2-CH2 4.44Å; F645-W819 AromaticContact CE2-CZ3 3.76Å; F645-W819 HydrophobicContact CE2-CZ3 3.76Å; Y815-W819 AromaticContact CE1-NE1 3.82Å; Y815-W819 AromaticContact CZ-NE1 3.61Å; A816-W819 PolarHBondContact O-N 3.29Å; A816-W819 VanDerWaalsContact O-N 3.12Å; S817-W819 VanDerWaalsContact C-N 3.28Å; S817-W819 PolarHBondContact O-N 3.37Å |
| 820 | E | 84.1 | Confident | 84.3 | Confident | 135 Ų | 135 | 25.8 Ų | 25.8 | 63% | 0.631 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -102.1 | -12.7 | -175.1 | -62.6 | -177.2 | 167.1 | 0 | 0 | 113.8 | L443 A816 S817 C822 | L443-E820 WeakPolarHBondContact CD2-O 3.15Å; A816-E820 PolarHBondContact O-N 2.97Å; S817-E820 PolarHBondContact O-N 3.22Å; E820-C822 PolarHBondContact O-N 3.1Å |
| 821 | S | 84.7 | Confident | 84.9 | Confident | 17 Ų | 17 | 25.8 Ų | 25.8 | 12% | 0.119 | 14% | 0.142 | C | C | . | . | trans | -77.1 | 118.7 | -175 | 174.9 | 0 | 0 | 0 | 0 | 113.2 | L443 S817 D823 V824 A825 | L443-S821 VanDerWaalsContact CD2-C 3.43Å; L443-S821 WeakPolarHBondContact CD2-O 3.45Å; S817-S821 WeakPolarHBondContact O-CA 3.29Å; S817-S821 WeakPolarHBondContact O-CB 3.32Å; S817-S821 PolarHBondContact O-N 3.07Å; S821-D823 PolarHBondContact O-N 3.3Å; S821-D823 PolarHBondContact OG-N 3.38Å; S821-V824 PolarHBondContact O-N 2.85Å; S821-V824 PolarHBondContact OG-N 2.82Å; S821-A825 PolarHBondContact O-N 3.42Å; S821-A825 VanDerWaalsContact O-N 3.12Å | ||
| 822 | C | 82.4 | Confident | 85.3 | Confident | 54 Ų | 54 | 25.6 Ų | 25.6 | 37% | 0.365 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -58.4 | -31.6 | 172.7 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | L443 Y706 E820 A826 | L443-C822 HydrophobicContact CD1-CB 4.32Å; L443-C822 VanDerWaalsContact CD1-SG 3.58Å; Y706-C822 HydrophobicContact CD1-CB 3.99Å; Y706-C822 HydrophobicContact CG-CB 4.44Å; E820-C822 PolarHBondContact O-N 3.1Å; C822-A826 WeakPolarHBondContact O-CB 3.33Å; C822-A826 PolarHBondContact O-N 2.55Å |
| 823 | D | 85.8 | Confident | 85.4 | Confident | 38 Ų | 38 | 23.7 Ų | 23.7 | 20% | 0.203 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.2 | -40.4 | -178.7 | -58.2 | -26 | 0 | 0 | 0 | 110.9 | I703 P705 Y706 S821 F827 | I703-D823 HydrophobicContact CG2-CB 4.13Å; P705-D823 WeakPolarHBondContact CA-OD1 3.06Å; Y706-D823 VanDerWaalsContact CB-OD1 3.28Å; Y706-D823 WeakPolarHBondContact CB-OD1 3.34Å; Y706-D823 PolarHBondContact N-OD1 3.01Å; S821-D823 PolarHBondContact O-N 3.3Å; S821-D823 PolarHBondContact OG-N 3.38Å; D823-F827 VanDerWaalsContact O-CB 3.23Å; D823-F827 WeakPolarHBondContact O-CB 3.24Å; D823-F827 PolarHBondContact O-N 2.87Å |
| 824 | V | 90.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.1 | -51 | 175 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | F440 F645 L676 L796 F818 S821 A826 F827 V828 | F440-V824 HydrophobicContact CE2-CG1 4.22Å; F645-V824 HydrophobicContact CD1-CG1 4.38Å; F645-V824 HydrophobicContact CE1-CG1 3.77Å; F645-V824 HydrophobicContact CZ-CG1 3.86Å; L676-V824 HydrophobicContact CD2-CG1 3.99Å; L676-V824 HydrophobicContact CD2-CG2 4.41Å; L796-V824 HydrophobicContact CD1-CG2 3.72Å; L796-V824 HydrophobicContact CD2-CG2 3.6Å; L796-V824 HydrophobicContact CG-CG2 4.32Å; F818-V824 HydrophobicContact CD1-CG2 4.36Å; S821-V824 PolarHBondContact O-N 2.85Å; S821-V824 PolarHBondContact OG-N 2.82Å; V824-A826 PolarHBondContact O-N 3.18Å; V824-F827 PolarHBondContact O-N 3.33Å; V824-V828 HydrophobicContact CG1-CG2 4.48Å; V824-V828 WeakPolarHBondContact O-CG2 2.92Å; V824-V828 PolarHBondContact O-N 3.35Å |
| 825 | A | 87.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.4 | -46.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F440 L443 V447 S821 F827 V828 L829 | F440-A825 HydrophobicContact CE2-CB 4.24Å; L443-A825 HydrophobicContact CB-CB 4.45Å; L443-A825 HydrophobicContact CD2-CB 3.81Å; L443-A825 HydrophobicContact CG-CB 3.72Å; V447-A825 HydrophobicContact CG2-CB 4.45Å; S821-A825 PolarHBondContact O-N 3.42Å; S821-A825 VanDerWaalsContact O-N 3.12Å; A825-F827 VanDerWaalsContact C-N 3.34Å; A825-F827 PolarHBondContact O-N 3.38Å; A825-V828 PolarHBondContact O-N 3.25Å; A825-L829 WeakPolarHBondContact O-CB 3.39Å; A825-L829 VanDerWaalsContact O-CG 3.24Å; A825-L829 WeakPolarHBondContact O-CG 3.29Å; A825-L829 PolarHBondContact O-N 3.27Å |
| 826 | A | 84.7 | Confident | 81.9 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.7 | -40.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V447 Y706 C822 V824 R830 | V447-A826 HydrophobicContact CG1-CB 3.84Å; Y706-A826 HydrophobicContact CD2-CB 3.35Å; Y706-A826 HydrophobicContact CE2-CB 4.1Å; Y706-A826 HydrophobicContact CG-CB 3.91Å; C822-A826 WeakPolarHBondContact O-CB 3.33Å; C822-A826 PolarHBondContact O-N 2.55Å; V824-A826 PolarHBondContact O-N 3.18Å; A826-R830 WeakPolarHBondContact O-CB 3.2Å; A826-R830 VanDerWaalsContact O-CG 3.28Å; A826-R830 WeakPolarHBondContact O-CG 3.3Å; A826-R830 PolarHBondContact O-N 2.96Å |
| 827 | F | 88.8 | Confident | 80 | Confident | 7 Ų | 7 | 25.6 Ų | 25.6 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.3 | -49.5 | 176.3 | 177.2 | -94.8 | 0 | 0 | 0 | 111.8 | F643 Y674 L676 I703 L717 Y794 D823 V824 A825 L829 R830 Q831 | F643-F827 HydrophobicContact CD1-CE1 4.47Å; F643-F827 HydrophobicContact CE1-CE1 4.33Å; Y674-F827 HydrophobicContact CD1-CE1 4.01Å; Y674-F827 AromaticContact CD1-CZ 3.83Å; Y674-F827 HydrophobicContact CD1-CZ 3.83Å; Y674-F827 HydrophobicContact CE1-CZ 4.38Å; Y674-F827 HydrophobicContact CG-CE1 4.35Å; L676-F827 HydrophobicContact CD1-CD1 4.4Å; L676-F827 HydrophobicContact CD1-CE1 4.05Å; L676-F827 HydrophobicContact CD2-CD1 4.03Å; L676-F827 HydrophobicContact CD2-CE1 4.47Å; I703-F827 HydrophobicContact CD1-CB 4.41Å; I703-F827 HydrophobicContact CD1-CD1 4.21Å; I703-F827 HydrophobicContact CD1-CD2 4.33Å; I703-F827 HydrophobicContact CD1-CG 4.05Å; I703-F827 HydrophobicContact CG1-CD2 4.18Å; I703-F827 HydrophobicContact CG1-CG 4.37Å; I703-F827 HydrophobicContact CG2-CB 4.27Å; L717-F827 HydrophobicContact CD1-CE2 4.37Å; Y794-F827 HydrophobicContact CD1-CE1 4.43Å; Y794-F827 AromaticContact CD1-CE2 3.55Å; Y794-F827 HydrophobicContact CD1-CE2 3.55Å; Y794-F827 AromaticContact CD1-CZ 3.47Å; Y794-F827 HydrophobicContact CD1-CZ 3.47Å; Y794-F827 VanDerWaalsContact CD1-CZ 3.47Å; Y794-F827 HydrophobicContact CD2-CZ 4.06Å; Y794-F827 AromaticContact CE1-CE2 3.48Å; Y794-F827 HydrophobicContact CE1-CE2 3.48Å; Y794-F827 VanDerWaalsContact CE1-CE2 3.48Å; Y794-F827 AromaticContact CE1-CZ 3.37Å; Y794-F827 HydrophobicContact CE1-CZ 3.37Å; Y794-F827 HydrophobicContact CE2-CZ 4.01Å; Y794-F827 HydrophobicContact CG-CE1 4.42Å; Y794-F827 HydrophobicContact CG-CE2 4.31Å; Y794-F827 AromaticContact CG-CZ 3.82Å; Y794-F827 HydrophobicContact CG-CZ 3.82Å; Y794-F827 AromaticContact CZ-CZ 3.68Å; D823-F827 VanDerWaalsContact O-CB 3.23Å; D823-F827 WeakPolarHBondContact O-CB 3.24Å; D823-F827 PolarHBondContact O-N 2.87Å; V824-F827 PolarHBondContact O-N 3.33Å; A825-F827 VanDerWaalsContact C-N 3.34Å; A825-F827 PolarHBondContact O-N 3.38Å; F827-L829 VanDerWaalsContact C-N 3.34Å; F827-L829 PolarHBondContact O-N 3.25Å; F827-R830 PolarHBondContact O-N 3.41Å; F827-Q831 HydrophobicContact CD1-CG 4.47Å; F827-Q831 HydrophobicContact CE1-CG 3.97Å; F827-Q831 HydrophobicContact CE2-CG 4.36Å; F827-Q831 HydrophobicContact CZ-CG 3.91Å; F827-Q831 WeakPolarHBondContact O-CG 3.18Å; F827-Q831 PolarHBondContact O-N 3.12Å; F827-Q831 VanDerWaalsContact O-N 3.14Å |
| 828 | V | 90.3 | Very high | 77.8 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.5 | -48.5 | 177.6 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | L412 F440 F643 F645 V824 A825 R830 Q831 L832 | L412-V828 HydrophobicContact CD2-CG1 4.21Å; F440-V828 HydrophobicContact CZ-CG2 4.47Å; F643-V828 HydrophobicContact CD1-CG2 3.88Å; F643-V828 HydrophobicContact CD2-CG1 4.25Å; F643-V828 HydrophobicContact CE1-CB 4.45Å; F643-V828 HydrophobicContact CE1-CG1 4.43Å; F643-V828 HydrophobicContact CE1-CG2 4.17Å; F643-V828 HydrophobicContact CE2-CG1 4.02Å; F643-V828 HydrophobicContact CG-CG2 4.12Å; F643-V828 HydrophobicContact CZ-CG1 4.12Å; F645-V828 HydrophobicContact CE1-CG2 4.23Å; F645-V828 HydrophobicContact CZ-CG2 4.15Å; V824-V828 HydrophobicContact CG1-CG2 4.48Å; V824-V828 WeakPolarHBondContact O-CG2 2.92Å; V824-V828 PolarHBondContact O-N 3.35Å; A825-V828 PolarHBondContact O-N 3.25Å; V828-R830 PolarHBondContact O-N 3.17Å; V828-Q831 PolarHBondContact O-N 2.83Å; V828-Q831 VanDerWaalsContact O-N 3.13Å; V828-L832 HydrophobicContact CG1-CD1 3.75Å; V828-L832 HydrophobicContact CG1-CG 4.21Å; V828-L832 WeakPolarHBondContact O-CG 3.44Å; V828-L832 PolarHBondContact O-N 3.27Å |
| 829 | L | 86.3 | Confident | 75.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.8 | -42.1 | 178 | -73.7 | 169.7 | 0 | 0 | 0 | 113.3 | T444 V447 D448 I459 A825 F827 Q831 L832 L833 | T444-L829 HydrophobicContact CG2-CD1 4.18Å; T444-L829 HydrophobicContact CG2-CD2 3.52Å; T444-L829 HydrophobicContact CG2-CG 3.92Å; T444-L829 VanDerWaalsContact O-CD1 3.29Å; T444-L829 WeakPolarHBondContact O-CD1 3.16Å; V447-L829 HydrophobicContact CB-CD1 3.6Å; V447-L829 HydrophobicContact CG1-CD1 3.52Å; D448-L829 HydrophobicContact CB-CD1 4.24Å; D448-L829 HydrophobicContact CB-CD2 4.26Å; I459-L829 HydrophobicContact CD1-CD2 3.31Å; A825-L829 WeakPolarHBondContact O-CB 3.39Å; A825-L829 VanDerWaalsContact O-CG 3.24Å; A825-L829 WeakPolarHBondContact O-CG 3.29Å; A825-L829 PolarHBondContact O-N 3.27Å; F827-L829 VanDerWaalsContact C-N 3.34Å; F827-L829 PolarHBondContact O-N 3.25Å; L829-Q831 VanDerWaalsContact C-N 3.3Å; L829-Q831 PolarHBondContact O-N 3.37Å; L829-L832 PolarHBondContact O-N 3.36Å; L829-L833 HydrophobicContact CD2-CD1 4.18Å; L829-L833 WeakPolarHBondContact O-CB 3.44Å; L829-L833 PolarHBondContact O-N 3.38Å |
| 830 | R | 82.7 | Confident | 72.5 | Confident | 20 Ų | 20 | 41.5 Ų | 41.5 | 8% | 0.075 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.3 | -40.9 | 176 | -77.7 | -175.1 | -61 | -115.3 | 4 | 112 | F451 F709 P710 A826 F827 V828 S834 | F451-R830 HydrophobicContact CE1-CG 4.43Å; F451-R830 HydrophobicContact CE2-CG 3.46Å; F451-R830 VanDerWaalsContact CE2-CG 3.46Å; F451-R830 HydrophobicContact CZ-CG 3.48Å; F451-R830 VanDerWaalsContact CZ-CG 3.48Å; F709-R830 PolarHBondContact O-NH1 2.73Å; P710-R830 PolarHBondContact O-NH1 2.93Å; A826-R830 WeakPolarHBondContact O-CB 3.2Å; A826-R830 VanDerWaalsContact O-CG 3.28Å; A826-R830 WeakPolarHBondContact O-CG 3.3Å; A826-R830 PolarHBondContact O-N 2.96Å; F827-R830 PolarHBondContact O-N 3.41Å; V828-R830 PolarHBondContact O-N 3.17Å; R830-S834 WeakPolarHBondContact O-CA 3.4Å; R830-S834 WeakPolarHBondContact O-CB 3.4Å; R830-S834 PolarHBondContact O-N 3.45Å |
| 831 | Q | 85.6 | Confident | 69.7 | Low | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.5 | -39.9 | 176.9 | -59.1 | -43.2 | -40.9 | 0 | 0 | 111.9 | F643 Y674 F827 V828 L829 G835 G836 | F643-Q831 HydrophobicContact CE1-CB 3.87Å; F643-Q831 HydrophobicContact CE1-CG 4Å; F643-Q831 HydrophobicContact CZ-CB 3.77Å; F643-Q831 HydrophobicContact CZ-CG 4.41Å; Y674-Q831 HydrophobicContact CD1-CG 4.22Å; Y674-Q831 HydrophobicContact CE1-CB 4.38Å; Y674-Q831 HydrophobicContact CE1-CG 3.65Å; Y674-Q831 HydrophobicContact CE2-CB 4.46Å; Y674-Q831 HydrophobicContact CE2-CG 4.49Å; Y674-Q831 PolarHBondContact OH-OE1 3.23Å; F827-Q831 HydrophobicContact CD1-CG 4.47Å; F827-Q831 HydrophobicContact CE1-CG 3.97Å; F827-Q831 HydrophobicContact CE2-CG 4.36Å; F827-Q831 HydrophobicContact CZ-CG 3.91Å; F827-Q831 WeakPolarHBondContact O-CG 3.18Å; F827-Q831 PolarHBondContact O-N 3.12Å; F827-Q831 VanDerWaalsContact O-N 3.14Å; V828-Q831 PolarHBondContact O-N 2.83Å; V828-Q831 VanDerWaalsContact O-N 3.13Å; L829-Q831 VanDerWaalsContact C-N 3.3Å; L829-Q831 PolarHBondContact O-N 3.37Å; Q831-G835 PolarHBondContact O-N 3.21Å; Q831-G836 VanDerWaalsContact OE1-CA 3.29Å |
| 832 | L | 84.9 | Confident | 67 | Low | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.5 | -43.8 | -180 | -67.3 | 178.3 | 0 | 0 | 0 | 113.3 | K410 L412 I459 S545 F643 V828 L829 | K410-L832 WeakPolarHBondContact CE-O 3.5Å; K410-L832 PolarHBondContact NZ-O 2.87Å; L412-L832 HydrophobicContact CD2-CD1 4.5Å; I459-L832 HydrophobicContact CD1-CB 4.36Å; I459-L832 HydrophobicContact CD1-CD1 4.05Å; S545-L832 WeakPolarHBondContact OG-CD2 3.38Å; F643-L832 HydrophobicContact CE2-CD2 3.98Å; F643-L832 HydrophobicContact CE2-CG 4.33Å; F643-L832 HydrophobicContact CZ-CD2 4.3Å; F643-L832 HydrophobicContact CZ-CG 4.38Å; V828-L832 HydrophobicContact CG1-CD1 3.75Å; V828-L832 HydrophobicContact CG1-CG 4.21Å; V828-L832 WeakPolarHBondContact O-CG 3.44Å; V828-L832 PolarHBondContact O-N 3.27Å; L829-L832 PolarHBondContact O-N 3.36Å |
| 833 | L | 77.9 | Confident | 64.2 | Low | 19 Ų | 19 | 48.7 Ų | 48.7 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -98.9 | -32.2 | -168.8 | -62.3 | 176.7 | 0 | 0 | 0 | 113.9 | K410 D448 L452 A458 I459 L829 | K410-L833 HydrophobicContact CG-CD2 4.28Å; D448-L833 WeakPolarHBondContact OD1-CD1 3.3Å; L452-L833 HydrophobicContact CD1-CB 4.03Å; L452-L833 HydrophobicContact CD1-CD1 3.39Å; L452-L833 HydrophobicContact CD1-CG 4.28Å; A458-L833 HydrophobicContact CB-CD2 4.12Å; I459-L833 HydrophobicContact CD1-CD1 4Å; I459-L833 HydrophobicContact CD1-CD2 3.82Å; I459-L833 HydrophobicContact CD1-CG 3.9Å; I459-L833 HydrophobicContact CG1-CD2 3.93Å; L829-L833 HydrophobicContact CD2-CD1 4.18Å; L829-L833 WeakPolarHBondContact O-CB 3.44Å; L829-L833 PolarHBondContact O-N 3.38Å |
| 834 | S | 66.6 | Low | 61.3 | Low | 50 Ų | 50 | 53.6 Ų | 53.6 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -105.1 | 1.1 | -177.6 | -54.4 | 0 | 0 | 0 | 0 | 113.3 | R830 G836 T837 | R830-S834 WeakPolarHBondContact O-CA 3.4Å; R830-S834 WeakPolarHBondContact O-CB 3.4Å; R830-S834 PolarHBondContact O-N 3.45Å; S834-G836 PolarHBondContact O-N 3.17Å; S834-T837 PolarHBondContact O-N 3.24Å |
| 835 | G | 58.5 | Low | 58.3 | Low | 45 Ų | 45 | 59.8 Ų | 59.8 | 46% | 0.464 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 15.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K790 Q831 T837 | K790-G835 WeakPolarHBondContact CE-O 3.4Å; K790-G835 PolarHBondContact NZ-O 2.81Å; Q831-G835 PolarHBondContact O-N 3.21Å; G835-T837 PolarHBondContact O-N 3.14Å |
| 836 | G | 51.5 | Low | 55.7 | Low | 11 Ų | 11 | 67.2 Ų | 67.2 | 11% | 0.113 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | -4.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q831 S834 T838 | Q831-G836 VanDerWaalsContact OE1-CA 3.29Å; S834-G836 PolarHBondContact O-N 3.17Å; G836-T838 PolarHBondContact O-N 3.48Å |
| 837 | T | 43.9 | Very low | 52.9 | Low | 99 Ų | 99 | 73.2 Ų | 73.2 | 61% | 0.607 | 42% | 0.418 | S | S | * | . | trans | -85 | 100.3 | 173.2 | -52.7 | 0 | 0 | 0 | 0 | 108.5 | S834 G835 R839 | S834-T837 PolarHBondContact O-N 3.24Å; G835-T837 PolarHBondContact O-N 3.14Å; T837-R839 VanDerWaalsContact C-N 3.32Å; T837-R839 PolarHBondContact O-N 2.76Å | ||
| 838 | T | 40 | Very low | 50.2 | Low | 47 Ų | 47 | 78.3 Ų | 78.3 | 29% | 0.288 | 46% | 0.461 | S | S | . | . | trans | -62.9 | 95.9 | 166.2 | 46.4 | 0 | 0 | 0 | 0 | 108 | G714 G836 S840 | G714-T838 VanDerWaalsContact CA-OG1 3.26Å; G714-T838 WeakPolarHBondContact CA-OG1 3.26Å; G714-T838 PolarHBondContact O-OG1 3.48Å; G836-T838 PolarHBondContact O-N 3.48Å; T838-S840 VanDerWaalsContact C-N 3.34Å; T838-S840 PolarHBondContact O-N 3.24Å | ||
| 839 | R | 32.8 | Very low | 47.1 | Very low | 200 Ų | 200 | 87.5 Ų | 87.5 | 76% | 0.755 | 50% | 0.495 | S | S | * | . | trans | -62 | 98 | 172 | -77.3 | 177.1 | 60.4 | 164.3 | 0.2 | 108.5 | T837 S841 | T837-R839 VanDerWaalsContact C-N 3.32Å; T837-R839 PolarHBondContact O-N 2.76Å; R839-S841 PolarHBondContact NE-OG 3.04Å; R839-S841 VanDerWaalsContact NE-OG 3.15Å; R839-S841 PolarHBondContact NH2-OG 2.87Å; R839-S841 VanDerWaalsContact NH2-OG 3.13Å; R839-S841 PolarHBondContact O-N 3Å | ||
| 840 | S | 33 | Very low | 44.5 | Very low | 121 Ų | 121 | 92 Ų | 92 | 85% | 0.846 | 53% | 0.527 | S | S | * | . | trans | -72.6 | 71.1 | 149.6 | -175 | 0 | 0 | 0 | 0 | 106.8 | T838 | T838-S840 VanDerWaalsContact C-N 3.34Å; T838-S840 PolarHBondContact O-N 3.24Å | ||
| 841 | S | 25.9 | Very low | 42 | Very low | 54 Ų | 54 | 97.5 Ų | 97.5 | 38% | 0.378 | 56% | 0.558 | S | S | . | * | trans | -107.4 | 97.3 | 172 | 64.6 | 0 | 0 | 0 | 0 | 108.4 | R839 M843 | R839-S841 PolarHBondContact NE-OG 3.04Å; R839-S841 VanDerWaalsContact NE-OG 3.15Å; R839-S841 PolarHBondContact NH2-OG 2.87Å; R839-S841 VanDerWaalsContact NH2-OG 3.13Å; R839-S841 PolarHBondContact O-N 3Å; S841-M843 PolarHBondContact O-N 3.01Å | ||
| 842 | T | 27.6 | Very low | 39.7 | Very low | 134 Ų | 134 | 100.8 Ų | 100.8 | 82% | 0.822 | 59% | 0.593 | S | S | * | * | trans | -31.4 | 98.2 | 144.7 | 18.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 843 | M | 23.9 | Very low | 37.7 | Very low | 168 Ų | 168 | 105.2 Ų | 105.2 | 83% | 0.828 | 62% | 0.62 | S | S | * | * | trans | -172.2 | 140.7 | 154.1 | -100.9 | -52.9 | 120.4 | 0 | 0 | 110.4 | S841 | S841-M843 PolarHBondContact O-N 3.01Š| ||
| 844 | E | 25.4 | Very low | 36.2 | Very low | 142 Ų | 142 | 108.5 Ų | 108.5 | 66% | 0.664 | 64% | 0.641 | S | S | * | * | trans | 89.2 | 73.1 | 171.4 | -58.2 | -176.8 | -176.7 | 0 | 0 | 117.4 | K454 | K454-E844 IonicContact NZ-OE2 3.43Å; K454-E844 PolarHBondContact NZ-OE2 2.92Å | ||
| 845 | T | 27.5 | Very low | 35.9 | Very low | 129 Ų | 129 | 109.8 Ų | 109.8 | 79% | 0.791 | 64% | 0.644 | S | S | * | * | trans | -31.1 | 137.1 | 140 | 41.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 846 | N | 32.1 | Very low | 36.6 | Very low | 157 Ų | 157 | 116 Ų | 116 | 84% | 0.84 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 96.3 | 23.5 | 157 | -65.4 | -7.7 | 0 | 0 | 0 | 121.6 | ||
| 847 | T | 26.3 | Very low | 37.9 | Very low | 126 Ų | 126 | 117.5 Ų | 117.5 | 77% | 0.773 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -132.3 | 109.7 | 150.8 | 40.2 | 0 | 0 | 0 | 0 | 110.1 | R849 | T847-R849 PolarHBondContact O-N 2.58Š|
| 848 | A | 31.5 | Very low | 39.6 | Very low | 113 Ų | 113 | 118 Ų | 118 | 93% | 0.934 | 66% | 0.659 | S | S | * | * | trans | -48.4 | 95.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 849 | R | 25.5 | Very low | 41.4 | Very low | 193 Ų | 193 | 122.2 Ų | 122.2 | 73% | 0.728 | 67% | 0.67 | S | S | * | * | trans | -127.8 | 106.4 | 159.6 | -73.6 | -174.3 | 170.3 | -173.4 | -6 | 105.6 | T847 D851 | T847-R849 PolarHBondContact O-N 2.58Å; R849-D851 PolarHBondContact O-N 3.11Å | ||
| 850 | S | 30.8 | Very low | 43.2 | Very low | 95 Ų | 95 | 121.5 Ų | 121.5 | 66% | 0.664 | 67% | 0.672 | S | S | * | * | trans | -56.6 | 108 | -175.1 | 53.5 | 0 | 0 | 0 | 0 | 109.9 | G852 | S850-G852 PolarHBondContact O-N 3.29Š| ||
| 851 | D | 30.4 | Very low | 45.1 | Very low | 136 Ų | 136 | 121.4 Ų | 121.4 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | trans | -43.1 | 133.6 | 164.8 | -121.4 | -26.9 | 0 | 0 | 0 | 109.5 | R849 T853 | R849-D851 PolarHBondContact O-N 3.11Å; D851-T853 PolarHBondContact O-N 2.93Å | ||
| 852 | G | 37.9 | Very low | 47.5 | Very low | 74 Ų | 74 | 119.5 Ų | 119.5 | 76% | 0.763 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -66.3 | 14.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S850 T854 | S850-G852 PolarHBondContact O-N 3.29Å; G852-T854 PolarHBondContact O-N 3.23Å |
| 853 | T | 42.5 | Very low | 49.4 | Very low | 97 Ų | 97 | 114.3 Ų | 114.3 | 60% | 0.595 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -71 | 115.5 | 166.7 | 59.2 | 0 | 0 | 0 | 0 | 107.7 | D851 D855 | D851-T853 PolarHBondContact O-N 2.93Å; T853-D855 PolarHBondContact O-N 2.64Å; T853-D855 VanDerWaalsContact O-N 3.12Å |
| 854 | T | 47.1 | Very low | 51.5 | Low | 88 Ų | 88 | 112.8 Ų | 112.8 | 54% | 0.54 | 62% | 0.615 | S | S | . | * | trans | -45.9 | 123.2 | 171 | 49.7 | 0 | 0 | 0 | 0 | 109.5 | G852 K856 R954 | G852-T854 PolarHBondContact O-N 3.23Å; T854-K856 PolarHBondContact O-N 3.08Å; T854-R954 HydrophobicContact CG2-CG 4.11Å | ||
| 855 | D | 60.5 | Low | 53.5 | Low | 77 Ų | 77 | 110.3 Ų | 110.3 | 41% | 0.412 | 60% | 0.602 | S | S | . | * | trans | -59.3 | 135.3 | 175.3 | -83.8 | -28.7 | 0 | 0 | 0 | 108.2 | T853 W857 K951 G952 | T853-D855 PolarHBondContact O-N 2.64Å; T853-D855 VanDerWaalsContact O-N 3.12Å; D855-W857 PolarHBondContact O-N 3.3Å; D855-K951 HydrophobicContact CB-CB 4.01Å; D855-K951 PolarHBondContact N-O 2.97Å; D855-K951 VanDerWaalsContact OD2-CD 3.29Å; D855-K951 WeakPolarHBondContact OD2-CD 3.36Å; D855-K951 WeakPolarHBondContact OD2-CE 3.31Å; D855-G952 WeakPolarHBondContact O-CA 3.34Å | ||
| 856 | K | 71.9 | Confident | 55.5 | Low | 174 Ų | 174 | 104.9 Ų | 104.9 | 76% | 0.757 | 57% | 0.568 | S | S | * | * | trans | -60.2 | 130.8 | 178.2 | -171.8 | 176.8 | -177.3 | 173.2 | 0 | 108.9 | T854 L858 | T854-K856 PolarHBondContact O-N 3.08Å; K856-L858 PolarHBondContact O-N 3.03Å | ||
| 857 | W | 78.9 | Confident | 56.8 | Low | 43 Ų | 43 | 105.6 Ų | 105.6 | 16% | 0.163 | 56% | 0.564 | C | S | . | * | trans | -42.3 | 127.4 | 171 | -65.5 | 103.9 | 0 | 0 | 0 | 110.9 | D855 R859 T862 L866 L899 E902 V950 D953 | D855-W857 PolarHBondContact O-N 3.3Å; W857-R859 PolarHBondContact O-N 3.07Å; W857-T862 HydrophobicContact CD2-CG2 3.78Å; W857-T862 HydrophobicContact CE3-CG2 3.41Å; W857-T862 VanDerWaalsContact CE3-CG2 3.41Å; W857-T862 HydrophobicContact CG-CG2 4.38Å; W857-T862 HydrophobicContact CH2-CG2 4.36Å; W857-T862 HydrophobicContact CZ3-CG2 3.75Å; W857-L866 HydrophobicContact CH2-CD1 3.29Å; W857-L866 HydrophobicContact CZ2-CD1 3.41Å; W857-L866 VanDerWaalsContact CZ2-CD1 3.41Å; W857-L866 HydrophobicContact CZ3-CD1 3.93Å; W857-L899 HydrophobicContact CH2-CD2 4.46Å; W857-L899 HydrophobicContact CZ3-CD1 4.34Å; W857-L899 HydrophobicContact CZ3-CD2 4.06Å; W857-E902 HydrophobicContact CE3-CG 4.17Å; W857-E902 HydrophobicContact CZ3-CG 4.37Å; W857-V950 HydrophobicContact CH2-CG1 4.05Å; W857-V950 HydrophobicContact CZ3-CG1 3.81Å; W857-D953 HydrophobicContact CH2-CB 3.93Å; W857-D953 HydrophobicContact CZ2-CB 3.58Å | ||
| 858 | L | 79.6 | Confident | 58.3 | Low | 111 Ų | 111 | 105.9 Ų | 105.9 | 58% | 0.581 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -60.8 | -35.3 | -177.6 | -70.4 | -179.7 | 0 | 0 | 0 | 110 | K856 E902 C903 L924 | K856-L858 PolarHBondContact O-N 3.03Å; L858-E902 PolarHBondContact N-OE2 2.91Å; L858-C903 HydrophobicContact CD1-CB 3.87Å; L858-L924 HydrophobicContact CD1-CD2 3.65Å |
| 859 | R | 78.8 | Confident | 59.7 | Low | 134 Ų | 134 | 101.8 Ų | 101.8 | 51% | 0.506 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -101.5 | 122.5 | 172.6 | -53.5 | 178.2 | 67.4 | -174.8 | 1.6 | 110.4 | W857 L861 T862 S900 E902 | W857-R859 PolarHBondContact O-N 3.07Å; R859-L861 PolarHBondContact O-N 3.3Å; R859-T862 WeakPolarHBondContact CB-OG1 3.49Å; R859-T862 WeakPolarHBondContact O-CB 3.49Å; R859-T862 PolarHBondContact O-N 3.12Å; R859-T862 PolarHBondContact O-OG1 3.34Å; R859-S900 WeakPolarHBondContact CD-O 3.24Å; R859-S900 PolarHBondContact NH1-O 3.33Å; R859-S900 VanDerWaalsContact NH1-O 3.07Å; R859-E902 WeakPolarHBondContact CB-OE1 3.23Å; R859-E902 PolarHBondContact N-OE1 3.25Å |
| 860 | K | 69.2 | Low | 61.7 | Low | 185 Ų | 185 | 96.3 Ų | 96.3 | 80% | 0.804 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -32.2 | -178.2 | -67.9 | -177.7 | -179 | 177.5 | 0 | 114.5 | ||
| 861 | L | 73.3 | Confident | 63.7 | Low | 120 Ų | 120 | 92.8 Ų | 92.8 | 63% | 0.628 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -14.8 | -177 | -66.3 | 174.4 | 0 | 0 | 0 | 113.6 | R859 L864 K865 | R859-L861 PolarHBondContact O-N 3.3Å; L861-L864 PolarHBondContact O-N 2.82Å; L861-K865 WeakPolarHBondContact O-CG 3.32Å; L861-K865 PolarHBondContact O-N 3.03Å |
| 862 | T | 75.9 | Confident | 66 | Low | 14 Ų | 14 | 87.5 Ų | 87.5 | 9% | 0.086 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -63.3 | -46.8 | -176.9 | -57.6 | 0 | 0 | 0 | 0 | 111.1 | W857 R859 L864 K865 L866 L899 E902 | W857-T862 HydrophobicContact CD2-CG2 3.78Å; W857-T862 HydrophobicContact CE3-CG2 3.41Å; W857-T862 VanDerWaalsContact CE3-CG2 3.41Å; W857-T862 HydrophobicContact CG-CG2 4.38Å; W857-T862 HydrophobicContact CH2-CG2 4.36Å; W857-T862 HydrophobicContact CZ3-CG2 3.75Å; R859-T862 WeakPolarHBondContact CB-OG1 3.49Å; R859-T862 WeakPolarHBondContact O-CB 3.49Å; R859-T862 PolarHBondContact O-N 3.12Å; R859-T862 PolarHBondContact O-OG1 3.34Å; T862-L864 VanDerWaalsContact C-N 3.27Å; T862-L864 PolarHBondContact O-N 3.02Å; T862-K865 WeakPolarHBondContact O-CB 3.29Å; T862-K865 PolarHBondContact O-N 3.01Å; T862-L866 HydrophobicContact CG2-CD1 3.65Å; T862-L866 HydrophobicContact CG2-CG 4.25Å; T862-L866 VanDerWaalsContact O-CG 3.31Å; T862-L866 WeakPolarHBondContact O-CG 3.42Å; T862-L866 PolarHBondContact O-N 3.38Å; T862-L899 HydrophobicContact CG2-CD2 3.85Å; T862-E902 VanDerWaalsContact CB-OE1 3.29Å; T862-E902 WeakPolarHBondContact CB-OE1 3.43Å; T862-E902 HydrophobicContact CG2-CG 4.11Å; T862-E902 PolarHBondContact OG1-OE1 2.9Å |
| 863 | G | 68.5 | Low | 68.2 | Low | 24 Ų | 24 | 84.8 Ų | 84.8 | 25% | 0.247 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -59.3 | -34.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | K867 | G863-K867 PolarHBondContact O-N 3.09Å |
| 864 | L | 67.1 | Low | 70.2 | Confident | 136 Ų | 136 | 80.6 Ų | 80.6 | 71% | 0.712 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -69.6 | -39.6 | 173.7 | -104.2 | 83.7 | 0 | 0 | 0 | 112.1 | L861 T862 L866 | L861-L864 PolarHBondContact O-N 2.82Å; T862-L864 VanDerWaalsContact C-N 3.27Å; T862-L864 PolarHBondContact O-N 3.02Å; L864-L866 PolarHBondContact O-N 2.8Å |
| 865 | K | 68.2 | Low | 72 | Confident | 91 Ų | 91 | 76.6 Ų | 76.6 | 40% | 0.396 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.2 | -31 | 177.6 | -76.4 | -169.8 | 176.8 | -158.4 | 0 | 112.4 | D163 L861 T862 I869 I897 | D163-K865 IonicContact OD2-NZ 2.8Å; L861-K865 WeakPolarHBondContact O-CG 3.32Å; L861-K865 PolarHBondContact O-N 3.03Å; T862-K865 WeakPolarHBondContact O-CB 3.29Å; T862-K865 PolarHBondContact O-N 3.01Å; K865-I869 VanDerWaalsContact O-CD1 3.24Å; K865-I869 WeakPolarHBondContact O-CD1 3.49Å; K865-I897 HydrophobicContact CB-CD1 4.02Å |
| 866 | L | 68.5 | Low | 73.2 | Confident | 14 Ų | 14 | 73.9 Ų | 73.9 | 7% | 0.073 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -98.6 | -7.3 | -171.2 | -61.6 | 178.7 | 0 | 0 | 0 | 115 | W857 T862 L864 N868 I869 Y891 I897 L899 | W857-L866 HydrophobicContact CH2-CD1 3.29Å; W857-L866 HydrophobicContact CZ2-CD1 3.41Å; W857-L866 VanDerWaalsContact CZ2-CD1 3.41Å; W857-L866 HydrophobicContact CZ3-CD1 3.93Å; T862-L866 HydrophobicContact CG2-CD1 3.65Å; T862-L866 HydrophobicContact CG2-CG 4.25Å; T862-L866 VanDerWaalsContact O-CG 3.31Å; T862-L866 WeakPolarHBondContact O-CG 3.42Å; T862-L866 PolarHBondContact O-N 3.38Å; L864-L866 PolarHBondContact O-N 2.8Å; L866-N868 PolarHBondContact O-N 2.94Å; L866-I869 PolarHBondContact O-N 2.97Å; L866-Y891 HydrophobicContact CD1-CD1 4.29Å; L866-Y891 HydrophobicContact CD1-CD2 4.37Å; L866-Y891 HydrophobicContact CD1-CE1 3.98Å; L866-Y891 HydrophobicContact CD1-CE2 4.1Å; L866-Y891 HydrophobicContact CD1-CG 4.46Å; L866-Y891 VanDerWaalsContact CD2-CB 3.5Å; L866-Y891 HydrophobicContact CD2-CD1 3.49Å; L866-Y891 VanDerWaalsContact CD2-CD1 3.49Å; L866-Y891 HydrophobicContact CD2-CD2 3.73Å; L866-Y891 HydrophobicContact CD2-CE1 4.06Å; L866-Y891 HydrophobicContact CD2-CE2 4.28Å; L866-Y891 HydrophobicContact CD2-CG 3.29Å; L866-Y891 HydrophobicContact CG-CD1 4.33Å; L866-Y891 HydrophobicContact CG-CE1 4.46Å; L866-Y891 HydrophobicContact CG-CG 4.44Å; L866-I897 HydrophobicContact CD2-CG2 4.24Å; L866-L899 HydrophobicContact CD1-CD2 3.82Å |
| 867 | K | 60.9 | Low | 74 | Confident | 172 Ų | 172 | 66.3 Ų | 66.3 | 75% | 0.748 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -24.6 | -168 | -167.4 | 174 | 178.2 | -177.9 | 0 | 115.3 | G863 | G863-K867 PolarHBondContact O-N 3.09Š|
| 868 | N | 57.2 | Low | 74.3 | Confident | 133 Ų | 133 | 65.3 Ų | 65.3 | 71% | 0.711 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134 | 28.5 | 179.3 | -64 | -29.5 | 0 | 0 | 0 | 113.2 | L866 | L866-N868 PolarHBondContact O-N 2.94Š|
| 869 | I | 60.5 | Low | 74.5 | Confident | 26 Ų | 26 | 60.6 Ų | 60.6 | 13% | 0.133 | 31% | 0.311 | C | S | . | . | trans | -125.8 | 128.5 | -172.6 | -56.7 | -174.5 | 0 | 0 | 0 | 110.9 | K865 L866 I897 | K865-I869 VanDerWaalsContact O-CD1 3.24Å; K865-I869 WeakPolarHBondContact O-CD1 3.49Å; L866-I869 PolarHBondContact O-N 2.97Å; I869-I897 HydrophobicContact CD1-CD1 3.41Å; I869-I897 VanDerWaalsContact CD1-CD1 3.41Å; I869-I897 HydrophobicContact CD1-CG1 4.25Å | ||
| 870 | A | 67.4 | Low | 74.2 | Confident | 78 Ų | 78 | 55.7 Ų | 55.7 | 65% | 0.645 | 30% | 0.299 | S | S | * | . | trans | -76.7 | 141.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G892 | A870-G892 PolarHBondContact O-N 3.35Š| ||
| 871 | A | 73.9 | Confident | 73.9 | Confident | 21 Ų | 21 | 50.5 Ų | 50.5 | 17% | 0.174 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -65.8 | 136.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | H873 Y891 T955 | A871-H873 WeakPolarHBondContact CB-NE2 3.05Å; A871-Y891 HydrophobicContact CB-CD1 4.07Å; A871-Y891 HydrophobicContact CB-CE1 3.79Å; A871-T955 HydrophobicContact CB-CG2 3.74Å |
| 872 | N | 79 | Confident | 72.5 | Confident | 26 Ų | 26 | 52.4 Ų | 52.4 | 14% | 0.139 | 29% | 0.292 | C | S | . | . | trans | -129.9 | 57.6 | 173.2 | -167.9 | 37.2 | 0 | 0 | 0 | 110.8 | M890 D895 V1019 | N872-M890 CarbonylContact C-O 3.57Å; N872-M890 VanDerWaalsContact C-O 3.32Å; N872-M890 WeakPolarHBondContact CA-O 3.43Å; N872-M890 PolarHBondContact N-O 3.26Å; N872-D895 PolarHBondContact ND2-OD1 3.45Å; N872-V1019 WeakPolarHBondContact ND2-CG1 3.29Å | ||
| 873 | H | 83 | Confident | 71 | Confident | 17 Ų | 17 | 55.4 Ų | 55.4 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | trans | -78 | 149.1 | 178 | -47.6 | -27.9 | 0 | 0 | 0 | 111.3 | A871 R888 F889 M890 Y891 T955 | A871-H873 WeakPolarHBondContact CB-NE2 3.05Å; H873-R888 WeakPolarHBondContact CA-O 3.4Å; H873-F889 HydrophobicContact CB-CD1 3.91Å; H873-F889 HydrophobicContact CB-CE1 4.17Å; H873-F889 AromaticContact CD2-CD1 3.65Å; H873-F889 AromaticContact CG-CD1 3.45Å; H873-F889 VanDerWaalsContact CG-CD1 3.45Å; H873-F889 WeakPolarHBondContact ND1-CA 3.28Å; H873-F889 AromaticContact ND1-CD1 3.73Å; H873-M890 PolarHBondContact CE1-O 3.17Å; H873-M890 PolarHBondContact ND1-N 2.95Å; H873-M890 PolarHBondContact ND1-O 3.07Å; H873-M890 VanDerWaalsContact ND1-O 3.16Å; H873-Y891 AromaticContact CE1-CD2 3.79Å; H873-Y891 AromaticContact CE1-CE2 3.22Å; H873-Y891 WeakPolarHBondContact CE1-CE2 3.42Å; H873-Y891 AromaticContact CE1-CZ 3.57Å; H873-Y891 AromaticContact NE2-CE2 3.88Å; H873-Y891 AromaticContact NE2-CZ 3.79Å; H873-T955 WeakPolarHBondContact NE2-CB 3.34Å; H873-T955 PolarHBondContact NE2-OG1 2.74Å | ||
| 874 | R | 83.9 | Confident | 70.1 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 3% | 0.03 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 150.4 | -174.4 | 57.3 | 179.6 | -178.8 | -111.2 | 17.9 | 112.3 | R888 D895 S957 D1018 | R874-R888 HydrophobicContact CG-CB 4.17Å; R874-R888 PolarHBondContact N-O 3.25Å; R874-R888 PolarHBondContact O-N 2.81Å; R874-D895 IonicContact CZ-OD1 3.66Å; R874-D895 IonicContact CZ-OD2 3.32Å; R874-D895 IonicContact NH1-OD1 3.89Å; R874-D895 PolarHBondContact NH1-OD1 3.24Å; R874-D895 IonicContact NH1-OD2 4Å; R874-D895 PolarHBondContact NH1-OD2 3.36Å; R874-D895 IonicContact NH2-OD2 2.72Å; R874-D895 PolarHBondContact NH2-OD2 3.02Å; R874-S957 WeakPolarHBondContact CA-OG 3.39Å; R874-S957 PolarHBondContact N-OG 2.91Å; R874-D1018 VanDerWaalsContact CD-C 3.48Å; R874-D1018 WeakPolarHBondContact CD-O 3.26Å; R874-D1018 IonicContact CZ-OD1 3.82Å; R874-D1018 VanDerWaalsContact CZ-OD1 3.29Å; R874-D1018 IonicContact CZ-OD2 2.62Å; R874-D1018 IonicContact NE-OD1 3.74Å; R874-D1018 PolarHBondContact NE-OD1 2.82Å; R874-D1018 IonicContact NE-OD2 3.99Å; R874-D1018 PolarHBondContact NE-OD2 3.49Å; R874-D1018 IonicContact NH2-OD1 2.86Å; R874-D1018 PolarHBondContact NH2-OD1 3.12Å; R874-D1018 IonicContact NH2-OD2 3.71Å; R874-D1018 PolarHBondContact NH2-OD2 3.39Å |
| 875 | A | 86 | Confident | 69.9 | Low | 5 Ų | 5 | 55.6 Ų | 55.6 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 135.4 | 175 | 0 | 0 | 0 | 0 | 0 | 108.7 | A887 L959 Q1021 | A875-A887 HydrophobicContact CB-CB 3.79Å; A875-L959 HydrophobicContact CB-CB 3.96Å; A875-L959 HydrophobicContact CB-CD2 3.5Å; A875-L959 VanDerWaalsContact CB-CD2 3.5Å; A875-L959 HydrophobicContact CB-CG 4.35Å; A875-Q1021 PolarHBondContact O-NE2 2.99Å; A875-Q1021 PolarHBondContact O-OE1 2.89Å |
| 876 | N | 86.4 | Confident | 69.8 | Low | 20 Ų | 20 | 52.9 Ų | 52.9 | 11% | 0.107 | 29% | 0.286 | C | S | . | . | trans | -66.5 | 151.6 | 172.6 | -79.3 | -36.9 | 0 | 0 | 0 | 110.2 | F1040 E1042 | N876-F1040 PolarHBondContact ND2-O 2.88Å; N876-F1040 PolarHBondContact OD1-N 3.07Å; N876-F1040 PolarHBondContact OD1-O 2.79Å; N876-E1042 WeakPolarHBondContact ND2-CG 3.49Å; N876-E1042 PolarHBondContact ND2-OE1 2.94Å; N876-E1042 VanDerWaalsContact ND2-OE1 3.14Å | ||
| 877 | D | 87.8 | Confident | 70.3 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 8% | 0.08 | 28% | 0.283 | C | S | . | . | trans | -64.6 | 150.1 | 163.2 | -67.6 | -29.9 | 0 | 0 | 0 | 109.3 | C960 L1037 L1038 F1039 | D877-C960 WeakPolarHBondContact CA-O 3.29Å; D877-C960 WeakPolarHBondContact OD1-CB 3.33Å; D877-C960 PolarHBondContact OD1-N 3.1Å; D877-L1037 HydrophobicContact CB-CB 4.1Å; D877-L1037 HydrophobicContact CB-CD2 4.14Å; D877-L1037 WeakPolarHBondContact OD2-CA 3.34Å; D877-L1038 PolarHBondContact N-O 2.87Å; D877-L1038 PolarHBondContact OD2-N 2.87Å; D877-F1039 WeakPolarHBondContact O-CE1 3.15Å | ||
| 878 | V | 84.6 | Confident | 71 | Confident | 22 Ų | 22 | 45.9 Ų | 45.9 | 13% | 0.133 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 131.2 | -170.5 | 179.7 | 0 | 0 | 0 | 0 | 109.7 | L959 C960 L961 A962 | V878-L959 HydrophobicContact CG2-CD1 4.44Å; V878-C960 PolarHBondContact N-O 3.25Å; V878-L961 HydrophobicContact CB-CD1 4.05Å; V878-L961 HydrophobicContact CG1-CD1 3.92Å; V878-L961 CarbonylContact O-C 3.58Å; V878-L961 WeakPolarHBondContact O-CA 3.36Å; V878-A962 PolarHBondContact O-N 3.42Å |
| 879 | I | 84.9 | Confident | 72.2 | Confident | 12 Ų | 12 | 39.6 Ų | 39.6 | 6% | 0.062 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 119.7 | 164.4 | -54.7 | 177.8 | 0 | 0 | 0 | 106.7 | A962 L964 L1011 L1037 F1039 L1059 C1063 I1065 | I879-A962 WeakPolarHBondContact CA-O 3.2Å; I879-A962 HydrophobicContact CG1-CB 4.45Å; I879-L964 HydrophobicContact CD1-CD1 4.05Å; I879-L964 HydrophobicContact CG1-CD1 4.28Å; I879-L964 HydrophobicContact CG2-CB 4.44Å; I879-L964 HydrophobicContact CG2-CD1 3.65Å; I879-L964 HydrophobicContact CG2-CG 4.02Å; I879-L1011 HydrophobicContact CD1-CD2 4.36Å; I879-L1037 HydrophobicContact CD1-CD1 3.86Å; I879-L1037 HydrophobicContact CG1-CD1 3.59Å; I879-F1039 HydrophobicContact CD1-CZ 4.14Å; I879-F1039 HydrophobicContact CG1-CZ 4.13Å; I879-L1059 HydrophobicContact CB-CD2 4.38Å; I879-L1059 HydrophobicContact CD1-CD2 4.22Å; I879-L1059 HydrophobicContact CG1-CD2 4.41Å; I879-C1063 HydrophobicContact CB-CB 4.24Å; I879-C1063 HydrophobicContact CG2-CB 3.57Å; I879-C1063 PolarHBondContact O-SG 3.32Å; I879-I1065 HydrophobicContact CD1-CD1 4.16Å; I879-I1065 HydrophobicContact CD1-CG2 4.36Å |
| 880 | A | 72.5 | Confident | 73 | Confident | 31 Ų | 31 | 38.7 Ų | 38.7 | 26% | 0.256 | 22% | 0.216 | S | C | . | . | trans | -94 | 118.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L961 A962 V963 | A880-L961 HydrophobicContact CB-CD1 3.85Å; A880-A962 PolarHBondContact N-O 3.23Å; A880-V963 HydrophobicContact CB-CG2 4.48Å | ||
| 881 | S | 62.5 | Low | 73.3 | Confident | 76 Ų | 76 | 35 Ų | 35 | 53% | 0.531 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -109.7 | -38.3 | 149.6 | -171.2 | 0 | 0 | 0 | 0 | 111.2 | D1062 | S881-D1062 WeakPolarHBondContact CB-O 3.41Å; S881-D1062 PolarHBondContact OG-O 3.03Å |
| 882 | E | 44.7 | Very low | 72.7 | Confident | 160 Ų | 160 | 34.3 Ų | 34.3 | 75% | 0.748 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -148 | 108.3 | 173.4 | -68.3 | -171.7 | 167 | 0 | 0 | 112.2 | H884 | E882-H884 PolarHBondContact O-N 2.94Å; E882-H884 PolarHBondContact O-ND1 2.93Å |
| 883 | N | 43.1 | Very low | 71.8 | Confident | 77 Ų | 77 | 35.9 Ų | 35.9 | 41% | 0.412 | 19% | 0.191 | S | C | . | . | trans | 49.6 | 13.4 | 146.2 | -69.2 | 2.7 | 0 | 0 | 0 | 124.7 | E934 | N883-E934 HydrophobicContact CB-CG 3.86Å; N883-E934 WeakPolarHBondContact CB-OE1 3.39Å; N883-E934 PolarHBondContact ND2-OE1 3.03Å | ||
| 884 | H | 50.4 | Low | 70.8 | Confident | 149 Ų | 149 | 40.7 Ų | 40.7 | 69% | 0.69 | 21% | 0.212 | S | C | * | . | trans | -111.2 | 105.1 | -178.4 | -64.3 | 64.8 | 0 | 0 | 0 | 113.2 | E882 | E882-H884 PolarHBondContact O-N 2.94Å; E882-H884 PolarHBondContact O-ND1 2.93Å | ||
| 885 | R | 62.5 | Low | 70.1 | Confident | 15 Ų | 15 | 41 Ų | 41 | 6% | 0.057 | 22% | 0.215 | C | C | . | . | trans | -118.2 | 124.2 | 173.3 | -54.2 | 176.3 | -175.3 | -168.8 | -1.3 | 109 | R932 F933 L935 | R885-R932 WeakPolarHBondContact O-CA 3.26Å; R885-F933 WeakPolarHBondContact CB-O 3.49Å; R885-F933 WeakPolarHBondContact CD-O 3.3Å; R885-F933 PolarHBondContact O-N 3Å; R885-L935 VanDerWaalsContact NH1-CD1 3.34Å; R885-L935 VanDerWaalsContact NH1-CG 3.28Å; R885-L935 VanDerWaalsContact NH2-CG 3.28Å | ||
| 886 | Q | 66.8 | Low | 69 | Low | 33 Ų | 33 | 42.5 Ų | 42.5 | 15% | 0.154 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 124.9 | 178.4 | -175.2 | 155.3 | 17.6 | 0 | 0 | 110.3 | L931 R932 | Q886-L931 WeakPolarHBondContact CA-O 3.33Å; Q886-R932 HydrophobicContact CB-CG 4.19Å; Q886-R932 HydrophobicContact CG-CG 4.23Å |
| 887 | A | 77.4 | Confident | 68.2 | Low | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 156.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110 | A875 F889 R930 L931 M948 | A875-A887 HydrophobicContact CB-CB 3.79Å; A887-F889 HydrophobicContact CB-CE2 3.69Å; A887-F889 HydrophobicContact CB-CZ 4.21Å; A887-R930 CarbonylContact O-C 3.51Å; A887-R930 VanDerWaalsContact O-CA 3.24Å; A887-R930 WeakPolarHBondContact O-CA 3.5Å; A887-L931 HydrophobicContact CB-CD1 4.41Å; A887-L931 HydrophobicContact CB-CG 4.4Å; A887-L931 PolarHBondContact N-O 3.27Å; A887-L931 VanDerWaalsContact N-O 3.08Å; A887-L931 PolarHBondContact O-N 3.11Å; A887-M948 HydrophobicContact CB-CE 4.11Å; A887-M948 HydrophobicContact CB-SD 3.24Å; A887-M948 WeakPolarHBondContact CB-SD 3.38Å |
| 888 | R | 77.4 | Confident | 67.9 | Low | 39 Ų | 39 | 43.2 Ų | 43.2 | 15% | 0.147 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 124.8 | -178.5 | -165.8 | 178.8 | 178.7 | -166.4 | -10.3 | 111.3 | H873 R874 M890 H928 G929 R930 D1018 | H873-R888 WeakPolarHBondContact CA-O 3.4Å; R874-R888 HydrophobicContact CG-CB 4.17Å; R874-R888 PolarHBondContact N-O 3.25Å; R874-R888 PolarHBondContact O-N 2.81Å; R888-M890 HydrophobicContact CG-CG 3.96Å; R888-M890 HydrophobicContact CG-SD 4.15Å; R888-M890 PolarHBondContact NE-SD 2.94Å; R888-H928 PolarHBondContact NE-O 3.01Å; R888-G929 CarbonylContact C-O 3.59Å; R888-G929 WeakPolarHBondContact CA-O 3.48Å; R888-R930 HydrophobicContact CB-CG 4.31Å; R888-R930 HydrophobicContact CG-CG 3.87Å; R888-D1018 IonicContact NH1-OD2 3.32Å |
| 889 | F | 81.6 | Confident | 67.9 | Low | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -110 | 95 | -175.9 | -64.4 | -92.7 | 0 | 0 | 0 | 110.3 | H873 A887 L899 V904 T925 G929 L931 M948 V950 | H873-F889 HydrophobicContact CB-CD1 3.91Å; H873-F889 HydrophobicContact CB-CE1 4.17Å; H873-F889 AromaticContact CD2-CD1 3.65Å; H873-F889 AromaticContact CG-CD1 3.45Å; H873-F889 VanDerWaalsContact CG-CD1 3.45Å; H873-F889 WeakPolarHBondContact ND1-CA 3.28Å; H873-F889 AromaticContact ND1-CD1 3.73Å; A887-F889 HydrophobicContact CB-CE2 3.69Å; A887-F889 HydrophobicContact CB-CZ 4.21Å; F889-L899 HydrophobicContact CB-CB 4.26Å; F889-L899 HydrophobicContact CB-CD1 4.07Å; F889-L899 HydrophobicContact CB-CG 4.35Å; F889-L899 PolarHBondContact O-N 3.23Å; F889-L899 VanDerWaalsContact O-N 3.15Å; F889-V904 HydrophobicContact CD1-CG2 4.29Å; F889-V904 HydrophobicContact CD2-CG2 4.17Å; F889-V904 HydrophobicContact CE1-CG1 3.91Å; F889-V904 HydrophobicContact CE1-CG2 4.24Å; F889-V904 HydrophobicContact CE2-CG1 4.08Å; F889-V904 HydrophobicContact CE2-CG2 4.15Å; F889-V904 HydrophobicContact CG-CG2 4.28Å; F889-V904 HydrophobicContact CZ-CB 4.46Å; F889-V904 HydrophobicContact CZ-CG1 3.56Å; F889-V904 HydrophobicContact CZ-CG2 4.19Å; F889-T925 HydrophobicContact CB-CG2 4.32Å; F889-T925 HydrophobicContact CD2-CG2 3.99Å; F889-T925 HydrophobicContact CG-CG2 4.36Å; F889-G929 PolarHBondContact N-O 2.91Å; F889-L931 HydrophobicContact CD2-CD2 3.81Å; F889-L931 HydrophobicContact CD2-CG 4.32Å; F889-L931 HydrophobicContact CE2-CD2 3.27Å; F889-L931 HydrophobicContact CE2-CG 3.8Å; F889-L931 HydrophobicContact CZ-CD2 4.08Å; F889-M948 HydrophobicContact CE1-CB 4.34Å; F889-M948 HydrophobicContact CE2-SD 4.43Å; F889-M948 HydrophobicContact CZ-CB 3.62Å; F889-M948 HydrophobicContact CZ-SD 4.23Å; F889-V950 HydrophobicContact CD1-CG2 3.41Å; F889-V950 VanDerWaalsContact CD1-CG2 3.41Å; F889-V950 HydrophobicContact CE1-CG2 3.84Å; F889-V950 HydrophobicContact CG-CG2 4.34Å | ||
| 890 | M | 76.8 | Confident | 67.8 | Low | 7 Ų | 7 | 42.7 Ų | 42.7 | 3% | 0.034 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 154.4 | 176.2 | -54.9 | -60.8 | -63.6 | 0 | 0 | 110.7 | N872 H873 R888 D895 I897 A898 | N872-M890 CarbonylContact C-O 3.57Å; N872-M890 VanDerWaalsContact C-O 3.32Å; N872-M890 WeakPolarHBondContact CA-O 3.43Å; N872-M890 PolarHBondContact N-O 3.26Å; H873-M890 PolarHBondContact CE1-O 3.17Å; H873-M890 PolarHBondContact ND1-N 2.95Å; H873-M890 PolarHBondContact ND1-O 3.07Å; H873-M890 VanDerWaalsContact ND1-O 3.16Å; R888-M890 HydrophobicContact CG-CG 3.96Å; R888-M890 HydrophobicContact CG-SD 4.15Å; R888-M890 PolarHBondContact NE-SD 2.94Å; M890-D895 HydrophobicContact CB-CB 3.61Å; M890-D895 WeakPolarHBondContact CB-OD1 3.19Å; M890-D895 HydrophobicContact CE-CB 3.49Å; M890-D895 VanDerWaalsContact CE-CB 3.49Å; M890-D895 WeakPolarHBondContact CE-O 3.4Å; M890-D895 HydrophobicContact CG-CB 3.68Å; M890-D895 HydrophobicContact SD-CB 4.39Å; M890-I897 CarbonylContact C-O 3.59Å; M890-I897 WeakPolarHBondContact CA-O 3.29Å; M890-A898 HydrophobicContact CE-CB 3.67Å; M890-A898 HydrophobicContact SD-CB 3.75Å |
| 891 | Y | 74.8 | Confident | 68.4 | Low | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 143.6 | 171.4 | -74.2 | -107.1 | 0 | 0 | 0 | 110.2 | L866 A871 H873 V896 I897 L899 D953 T955 | L866-Y891 HydrophobicContact CD1-CD1 4.29Å; L866-Y891 HydrophobicContact CD1-CD2 4.37Å; L866-Y891 HydrophobicContact CD1-CE1 3.98Å; L866-Y891 HydrophobicContact CD1-CE2 4.1Å; L866-Y891 HydrophobicContact CD1-CG 4.46Å; L866-Y891 VanDerWaalsContact CD2-CB 3.5Å; L866-Y891 HydrophobicContact CD2-CD1 3.49Å; L866-Y891 VanDerWaalsContact CD2-CD1 3.49Å; L866-Y891 HydrophobicContact CD2-CD2 3.73Å; L866-Y891 HydrophobicContact CD2-CE1 4.06Å; L866-Y891 HydrophobicContact CD2-CE2 4.28Å; L866-Y891 HydrophobicContact CD2-CG 3.29Å; L866-Y891 HydrophobicContact CG-CD1 4.33Å; L866-Y891 HydrophobicContact CG-CE1 4.46Å; L866-Y891 HydrophobicContact CG-CG 4.44Å; A871-Y891 HydrophobicContact CB-CD1 4.07Å; A871-Y891 HydrophobicContact CB-CE1 3.79Å; H873-Y891 AromaticContact CE1-CD2 3.79Å; H873-Y891 AromaticContact CE1-CE2 3.22Å; H873-Y891 WeakPolarHBondContact CE1-CE2 3.42Å; H873-Y891 AromaticContact CE1-CZ 3.57Å; H873-Y891 AromaticContact NE2-CE2 3.88Å; H873-Y891 AromaticContact NE2-CZ 3.79Å; Y891-V896 PolarHBondContact O-N 2.89Å; Y891-I897 PolarHBondContact N-O 2.95Å; Y891-I897 PolarHBondContact O-N 3.13Å; Y891-L899 HydrophobicContact CD2-CD1 4.41Å; Y891-L899 HydrophobicContact CD2-CD2 3.78Å; Y891-L899 HydrophobicContact CD2-CG 3.78Å; Y891-L899 HydrophobicContact CE2-CD1 3.52Å; Y891-L899 HydrophobicContact CE2-CD2 3.44Å; Y891-L899 VanDerWaalsContact CE2-CD2 3.44Å; Y891-L899 HydrophobicContact CE2-CG 3.36Å; Y891-D953 VanDerWaalsContact CE1-OD2 3.22Å; Y891-D953 WeakPolarHBondContact CE1-OD2 3.2Å; Y891-D953 VanDerWaalsContact CZ-OD2 3.24Å; Y891-D953 PolarHBondContact OH-OD1 2.68Å; Y891-D953 PolarHBondContact OH-OD2 3.1Å; Y891-T955 PolarHBondContact OH-OG1 3.06Å |
| 892 | G | 61 | Low | 69.8 | Low | 5 Ų | 5 | 39.1 Ų | 39.1 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 93.1 | 165.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A870 F894 D895 | A870-G892 PolarHBondContact O-N 3.35Å; G892-F894 PolarHBondContact O-N 2.82Å; G892-D895 PolarHBondContact O-N 2.98Å; G892-D895 VanDerWaalsContact O-N 3.1Å |
| 893 | P | 59.8 | Low | 71.9 | Confident | 59 Ų | 59 | 32.5 Ų | 32.5 | 38% | 0.383 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 129.2 | -179.9 | 26.3 | -33.6 | 0 | 0 | 0 | 109.4 | D895 V896 | P893-D895 PolarHBondContact O-N 3.28Å; P893-V896 WeakPolarHBondContact O-CG2 3.31Å |
| 894 | F | 62.5 | Low | 74.2 | Confident | 119 Ų | 119 | 28.8 Ų | 28.8 | 52% | 0.522 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 22.7 | -177.8 | -46.3 | -80.6 | 0 | 0 | 0 | 115.5 | I134 G892 | I134-F894 HydrophobicContact CG1-CE2 3.87Å; I134-F894 HydrophobicContact CG2-CD2 4.28Å; I134-F894 HydrophobicContact CG2-CE2 4.46Å; G892-F894 PolarHBondContact O-N 2.82Å |
| 895 | D | 67.7 | Low | 76.1 | Confident | 15 Ų | 15 | 22.1 Ų | 22.1 | 8% | 0.08 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 63 | 48.8 | 174.6 | -46.9 | -31.1 | 0 | 0 | 0 | 114.9 | N872 R874 M890 G892 P893 I897 V1019 | N872-D895 PolarHBondContact ND2-OD1 3.45Å; R874-D895 IonicContact CZ-OD1 3.66Å; R874-D895 IonicContact CZ-OD2 3.32Å; R874-D895 IonicContact NH1-OD1 3.89Å; R874-D895 PolarHBondContact NH1-OD1 3.24Å; R874-D895 IonicContact NH1-OD2 4Å; R874-D895 PolarHBondContact NH1-OD2 3.36Å; R874-D895 IonicContact NH2-OD2 2.72Å; R874-D895 PolarHBondContact NH2-OD2 3.02Å; M890-D895 HydrophobicContact CB-CB 3.61Å; M890-D895 WeakPolarHBondContact CB-OD1 3.19Å; M890-D895 HydrophobicContact CE-CB 3.49Å; M890-D895 VanDerWaalsContact CE-CB 3.49Å; M890-D895 WeakPolarHBondContact CE-O 3.4Å; M890-D895 HydrophobicContact CG-CB 3.68Å; M890-D895 HydrophobicContact SD-CB 4.39Å; G892-D895 PolarHBondContact O-N 2.98Å; G892-D895 VanDerWaalsContact O-N 3.1Å; P893-D895 PolarHBondContact O-N 3.28Å; D895-I897 PolarHBondContact O-N 3.28Å; D895-V1019 WeakPolarHBondContact OD2-CG2 3.49Å |
| 896 | V | 63.1 | Low | 77.4 | Confident | 36 Ų | 36 | 21.4 Ų | 21.4 | 22% | 0.218 | 12% | 0.124 | C | C | . | . | trans | -60.6 | -33.2 | 178.6 | -166.9 | 0 | 0 | 0 | 0 | 111.8 | F161 Y891 P893 | F161-V896 VanDerWaalsContact O-CG1 3.28Å; F161-V896 WeakPolarHBondContact O-CG1 3.28Å; Y891-V896 PolarHBondContact O-N 2.89Å; P893-V896 WeakPolarHBondContact O-CG2 3.31Å | ||
| 897 | I | 71.2 | Confident | 78.2 | Confident | 22 Ų | 22 | 21.8 Ų | 21.8 | 11% | 0.113 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 118.7 | -175.6 | -53.6 | -168.3 | 0 | 0 | 0 | 110.6 | K865 L866 I869 M890 Y891 D895 | K865-I897 HydrophobicContact CB-CD1 4.02Å; L866-I897 HydrophobicContact CD2-CG2 4.24Å; I869-I897 HydrophobicContact CD1-CD1 3.41Å; I869-I897 VanDerWaalsContact CD1-CD1 3.41Å; I869-I897 HydrophobicContact CD1-CG1 4.25Å; M890-I897 CarbonylContact C-O 3.59Å; M890-I897 WeakPolarHBondContact CA-O 3.29Å; Y891-I897 PolarHBondContact N-O 2.95Å; Y891-I897 PolarHBondContact O-N 3.13Å; D895-I897 PolarHBondContact O-N 3.28Å |
| 898 | A | 80.9 | Confident | 78.5 | Confident | 28 Ų | 28 | 22.2 Ų | 22.2 | 23% | 0.231 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 131.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | M890 S900 | M890-A898 HydrophobicContact CE-CB 3.67Å; M890-A898 HydrophobicContact SD-CB 3.75Å; A898-S900 PolarHBondContact O-N 3.36Å; A898-S900 VanDerWaalsContact O-N 3.08Å |
| 899 | L | 83.2 | Confident | 78.4 | Confident | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | trans | -68.4 | 104.4 | 164.1 | -74.2 | -166.5 | 0 | 0 | 0 | 108.7 | W857 T862 L866 F889 Y891 E902 T925 G929 V950 | W857-L899 HydrophobicContact CH2-CD2 4.46Å; W857-L899 HydrophobicContact CZ3-CD1 4.34Å; W857-L899 HydrophobicContact CZ3-CD2 4.06Å; T862-L899 HydrophobicContact CG2-CD2 3.85Å; L866-L899 HydrophobicContact CD1-CD2 3.82Å; F889-L899 HydrophobicContact CB-CB 4.26Å; F889-L899 HydrophobicContact CB-CD1 4.07Å; F889-L899 HydrophobicContact CB-CG 4.35Å; F889-L899 PolarHBondContact O-N 3.23Å; F889-L899 VanDerWaalsContact O-N 3.15Å; Y891-L899 HydrophobicContact CD2-CD1 4.41Å; Y891-L899 HydrophobicContact CD2-CD2 3.78Å; Y891-L899 HydrophobicContact CD2-CG 3.78Å; Y891-L899 HydrophobicContact CE2-CD1 3.52Å; Y891-L899 HydrophobicContact CE2-CD2 3.44Å; Y891-L899 VanDerWaalsContact CE2-CD2 3.44Å; Y891-L899 HydrophobicContact CE2-CG 3.36Å; L899-E902 HydrophobicContact CB-CB 4.31Å; L899-E902 HydrophobicContact CB-CG 4.36Å; L899-E902 HydrophobicContact CD1-CB 4.33Å; L899-E902 HydrophobicContact CD2-CG 4.28Å; L899-T925 WeakPolarHBondContact O-CB 3.04Å; L899-T925 PolarHBondContact O-OG1 3.06Å; L899-G929 VanDerWaalsContact O-CA 3.24Å; L899-G929 WeakPolarHBondContact O-CA 3.48Å; L899-V950 HydrophobicContact CD1-CB 4.45Å; L899-V950 HydrophobicContact CD1-CG1 3.66Å; L899-V950 HydrophobicContact CD1-CG2 3.85Å | ||
| 900 | S | 84.2 | Confident | 77.9 | Confident | 21 Ų | 21 | 23.8 Ų | 23.8 | 15% | 0.147 | 14% | 0.141 | C | C | . | . | trans | -107.4 | 120.7 | 179.5 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | R859 A898 D926 N927 | R859-S900 WeakPolarHBondContact CD-O 3.24Å; R859-S900 PolarHBondContact NH1-O 3.33Å; R859-S900 VanDerWaalsContact NH1-O 3.07Å; A898-S900 PolarHBondContact O-N 3.36Å; A898-S900 VanDerWaalsContact O-N 3.08Å; S900-D926 WeakPolarHBondContact CA-O 3.27Å; S900-N927 WeakPolarHBondContact OG-CA 3.43Å; S900-N927 PolarHBondContact OG-O 2.69Å | ||
| 901 | G | 85.7 | Confident | 76.9 | Confident | 29 Ų | 29 | 30.5 Ų | 30.5 | 30% | 0.299 | 17% | 0.172 | S | C | . | . | S | Bend | trans | 72.9 | 28.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T925 | G901-T925 WeakPolarHBondContact CA-O 2.84Å; G901-T925 PolarHBondContact N-O 3.47Å; G901-T925 PolarHBondContact N-OG1 3.3Å |
| 902 | E | 90 | Very high | 75.9 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | trans | -103.9 | 153.7 | 175 | -63.3 | -63.9 | 163.2 | 0 | 0 | 110.2 | W857 L858 R859 T862 L899 L924 T925 | W857-E902 HydrophobicContact CE3-CG 4.17Å; W857-E902 HydrophobicContact CZ3-CG 4.37Å; L858-E902 PolarHBondContact N-OE2 2.91Å; R859-E902 WeakPolarHBondContact CB-OE1 3.23Å; R859-E902 PolarHBondContact N-OE1 3.25Å; T862-E902 VanDerWaalsContact CB-OE1 3.29Å; T862-E902 WeakPolarHBondContact CB-OE1 3.43Å; T862-E902 HydrophobicContact CG2-CG 4.11Å; T862-E902 PolarHBondContact OG1-OE1 2.9Å; L899-E902 HydrophobicContact CB-CB 4.31Å; L899-E902 HydrophobicContact CB-CG 4.36Å; L899-E902 HydrophobicContact CD1-CB 4.33Å; L899-E902 HydrophobicContact CD2-CG 4.28Å; E902-L924 WeakPolarHBondContact O-CA 3.37Å; E902-T925 PolarHBondContact N-OG1 2.72Å; E902-T925 VanDerWaalsContact N-OG1 3.11Å; E902-T925 PolarHBondContact O-N 3.17Å; E902-T925 PolarHBondContact O-OG1 3.07Å | ||
| 903 | C | 90 | Very high | 75.3 | Confident | 20 Ų | 20 | 32 Ų | 32 | 14% | 0.135 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 135.5 | -173.4 | -165.6 | 0 | 0 | 0 | 0 | 112.2 | L858 L924 K951 | L858-C903 HydrophobicContact CD1-CB 3.87Å; C903-L924 HydrophobicContact CB-CD2 3.88Å; C903-K951 HydrophobicContact CB-CB 4.44Å; C903-K951 HydrophobicContact CB-CD 4.04Å; C903-K951 PolarHBondContact O-N 2.75Å |
| 904 | V | 90.8 | Very high | 74.8 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 127.7 | 178.5 | -178 | 0 | 0 | 0 | 0 | 109.2 | F889 S922 E923 T925 L931 M948 I949 V950 | F889-V904 HydrophobicContact CD1-CG2 4.29Å; F889-V904 HydrophobicContact CD2-CG2 4.17Å; F889-V904 HydrophobicContact CE1-CG1 3.91Å; F889-V904 HydrophobicContact CE1-CG2 4.24Å; F889-V904 HydrophobicContact CE2-CG1 4.08Å; F889-V904 HydrophobicContact CE2-CG2 4.15Å; F889-V904 HydrophobicContact CG-CG2 4.28Å; F889-V904 HydrophobicContact CZ-CB 4.46Å; F889-V904 HydrophobicContact CZ-CG1 3.56Å; F889-V904 HydrophobicContact CZ-CG2 4.19Å; V904-S922 CarbonylContact O-C 3.57Å; V904-S922 VanDerWaalsContact O-CA 3.27Å; V904-S922 WeakPolarHBondContact O-CA 3.41Å; V904-E923 PolarHBondContact N-O 2.84Å; V904-E923 PolarHBondContact O-N 2.82Å; V904-T925 HydrophobicContact CG2-CG2 3.86Å; V904-L931 HydrophobicContact CB-CD2 3.46Å; V904-L931 VanDerWaalsContact CB-CD2 3.46Å; V904-L931 HydrophobicContact CG1-CD2 3.75Å; V904-L931 HydrophobicContact CG2-CD2 3.63Å; V904-M948 HydrophobicContact CG1-CB 3.8Å; V904-I949 CarbonylContact C-O 3.58Å; V904-I949 WeakPolarHBondContact CA-O 3.49Å; V904-V950 HydrophobicContact CG2-CG2 4.23Å |
| 905 | D | 90.3 | Very high | 74.3 | Confident | 9 Ų | 9 | 28.7 Ų | 28.7 | 5% | 0.048 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 135.8 | 175.5 | -67.2 | -18.5 | 0 | 0 | 0 | 110.6 | Y907 Y919 S922 M948 I949 K951 | D905-Y907 HydrophobicContact CB-CD2 4.34Å; D905-Y907 HydrophobicContact CB-CE2 3.55Å; D905-Y919 HydrophobicContact CB-CE2 4.13Å; D905-S922 WeakPolarHBondContact OD1-CB 3.38Å; D905-S922 PolarHBondContact OD1-OG 2.83Å; D905-M948 CarbonylContact O-C 3.58Å; D905-M948 VanDerWaalsContact O-CA 3.27Å; D905-M948 WeakPolarHBondContact O-CA 3.2Å; D905-I949 PolarHBondContact N-O 3.02Å; D905-I949 PolarHBondContact O-N 2.87Å; D905-K951 WeakPolarHBondContact OD1-CD 3.27Å; D905-K951 WeakPolarHBondContact OD1-CE 3.49Å; D905-K951 IonicContact OD1-NZ 2.87Å; D905-K951 PolarHBondContact OD1-NZ 2.92Å; D905-K951 WeakPolarHBondContact OD2-CE 3.47Å; D905-K951 WeakPolarHBondContact OD2-CG 3.44Å; D905-K951 IonicContact OD2-NZ 3.41Å; D905-K951 PolarHBondContact OD2-NZ 3.34Å |
| 906 | I | 89.7 | Confident | 73.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 126.1 | -179.8 | -56.4 | 91.6 | 0 | 0 | 0 | 109.2 | C920 G921 E923 F933 V946 M948 | I906-C920 HydrophobicContact CB-CB 4.45Å; I906-C920 HydrophobicContact CG2-CB 4.27Å; I906-C920 WeakPolarHBondContact O-CB 3.45Å; I906-C920 PolarHBondContact O-N 2.87Å; I906-G921 WeakPolarHBondContact CD1-O 3.45Å; I906-G921 PolarHBondContact N-O 3.43Å; I906-E923 HydrophobicContact CD1-CB 4.19Å; I906-E923 HydrophobicContact CD1-CG 4.2Å; I906-F933 HydrophobicContact CB-CD1 4.22Å; I906-F933 HydrophobicContact CB-CE1 4.25Å; I906-F933 HydrophobicContact CD1-CB 4.33Å; I906-F933 HydrophobicContact CD1-CD2 3.87Å; I906-F933 HydrophobicContact CD1-CE2 4.32Å; I906-F933 HydrophobicContact CD1-CG 3.99Å; I906-F933 HydrophobicContact CG1-CB 4.33Å; I906-F933 HydrophobicContact CG1-CD1 4.2Å; I906-F933 HydrophobicContact CG1-CD2 4.41Å; I906-F933 HydrophobicContact CG1-CG 4.05Å; I906-F933 HydrophobicContact CG2-CD1 3.85Å; I906-F933 HydrophobicContact CG2-CE1 3.96Å; I906-V946 HydrophobicContact CG2-CG1 3.84Å; I906-M948 HydrophobicContact CG1-CE 4.44Å; I906-M948 HydrophobicContact CG1-CG 4.06Å; I906-M948 HydrophobicContact CG2-CE 4.48Å; I906-M948 HydrophobicContact CG2-CG 4.31Å |
| 907 | Y | 85.1 | Confident | 74.5 | Confident | 40 Ų | 40 | 34.5 Ų | 34.5 | 16% | 0.157 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 146.8 | 174.9 | -62.3 | -97.1 | 0 | 0 | 0 | 110 | D905 W917 T918 Y919 V946 R947 I949 | D905-Y907 HydrophobicContact CB-CD2 4.34Å; D905-Y907 HydrophobicContact CB-CE2 3.55Å; Y907-W917 HydrophobicContact CD1-CB 4.32Å; Y907-T918 CarbonylContact C-O 3.51Å; Y907-T918 VanDerWaalsContact CA-O 3.28Å; Y907-T918 WeakPolarHBondContact CA-O 3.11Å; Y907-Y919 HydrophobicContact CD1-CD2 4.47Å; Y907-Y919 AromaticContact CE1-CD2 3.96Å; Y907-Y919 HydrophobicContact CE1-CD2 3.96Å; Y907-Y919 HydrophobicContact CE1-CG 4.39Å; Y907-Y919 HydrophobicContact CE2-CD2 4.4Å; Y907-Y919 AromaticContact CZ-CD2 3.9Å; Y907-V946 CarbonylContact O-C 3.53Å; Y907-V946 VanDerWaalsContact O-CA 3.31Å; Y907-V946 WeakPolarHBondContact O-CA 3.27Å; Y907-R947 PolarHBondContact N-O 2.76Å; Y907-R947 PolarHBondContact O-N 3.25Å; Y907-I949 HydrophobicContact CD2-CD1 3.91Å; Y907-I949 HydrophobicContact CD2-CG1 4.14Å; Y907-I949 HydrophobicContact CE2-CD1 3.83Å; Y907-I949 HydrophobicContact CE2-CG1 4.22Å |
| 908 | M | 83.1 | Confident | 74.9 | Confident | 11 Ų | 11 | 36 Ų | 36 | 5% | 0.054 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 143.1 | 178.5 | -176.5 | 174.2 | 63.9 | 0 | 0 | 110.5 | T918 C920 L935 L939 P945 V946 L961 | M908-T918 PolarHBondContact N-O 3.4Å; M908-T918 PolarHBondContact O-N 3.46Å; M908-T918 PolarHBondContact O-OG1 3.04Å; M908-C920 WeakPolarHBondContact CB-SG 3.4Å; M908-L935 HydrophobicContact CE-CD1 3.92Å; M908-L935 HydrophobicContact CE-CD2 4.45Å; M908-L935 HydrophobicContact SD-CD1 3.95Å; M908-L939 HydrophobicContact CE-CD1 3.97Å; M908-L939 HydrophobicContact CE-CD2 3.91Å; M908-L939 HydrophobicContact SD-CD1 3.71Å; M908-P945 WeakPolarHBondContact CA-O 3.31Å; M908-V946 HydrophobicContact CB-CG2 4.29Å; M908-V946 HydrophobicContact CG-CG2 3.97Å; M908-V946 HydrophobicContact SD-CG2 4.33Å; M908-L961 HydrophobicContact SD-CD2 4.29Å |
| 909 | M | 75.5 | Confident | 75 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 11% | 0.108 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 104.2 | 170.7 | -76.7 | 171.7 | 157.8 | 0 | 0 | 109.7 | G915 W917 Y944 P945 | M909-G915 WeakPolarHBondContact CE-O 3.09Å; M909-G915 WeakPolarHBondContact CG-O 3.21Å; M909-W917 HydrophobicContact CE-CD2 4.01Å; M909-W917 VanDerWaalsContact CE-CE2 3.41Å; M909-W917 HydrophobicContact CE-CG 4.26Å; M909-W917 HydrophobicContact CE-CZ2 3.74Å; M909-W917 VanDerWaalsContact CE-NE1 3.3Å; M909-W917 HydrophobicContact CG-CD2 3.95Å; M909-W917 HydrophobicContact CG-CE3 3.94Å; M909-W917 HydrophobicContact CG-CG 4.44Å; M909-W917 HydrophobicContact CG-CH2 4.45Å; M909-W917 HydrophobicContact CG-CZ2 4.46Å; M909-W917 HydrophobicContact CG-CZ3 4.18Å; M909-W917 HydrophobicContact SD-CD2 4.42Å; M909-W917 HydrophobicContact SD-CH2 4.19Å; M909-W917 HydrophobicContact SD-CZ2 3.96Å; M909-Y944 WeakPolarHBondContact O-CD1 3.39Å; M909-P945 HydrophobicContact CB-CB 4.27Å; M909-P945 HydrophobicContact CB-CG 4.26Å; M909-P945 HydrophobicContact CG-CB 4.48Å; M909-P945 PolarHBondContact N-O 2.79Å; M909-P945 HydrophobicContact SD-CB 3.93Å; M909-P945 HydrophobicContact SD-CG 3.97Å |
| 910 | S | 69.5 | Low | 75.1 | Confident | 49 Ų | 49 | 42.4 Ų | 42.4 | 34% | 0.343 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -81.2 | -25.4 | -176.9 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | Y944 | S910-Y944 WeakPolarHBondContact O-CE1 3.49Š|
| 911 | Q | 57.4 | Low | 75.1 | Confident | 148 Ų | 148 | 42 Ų | 42 | 69% | 0.692 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -101.7 | 36.1 | -175.4 | -60.3 | -167.7 | 4.4 | 0 | 0 | 113.7 | ||
| 912 | G | 53 | Low | 75.3 | Confident | 22 Ų | 22 | 42.3 Ų | 42.3 | 23% | 0.227 | 23% | 0.231 | C | C | . | . | trans | 75.3 | -178.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112 | V914 G915 | G912-V914 VanDerWaalsContact C-N 3.3Å; G912-V914 PolarHBondContact O-N 3.05Å; G912-G915 PolarHBondContact O-N 3.48Å | ||
| 913 | P | 48.7 | Very low | 75.3 | Confident | 18 Ų | 18 | 46 Ų | 46 | 12% | 0.117 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -5.4 | -165.6 | 31.5 | -36.9 | 0 | 0 | 0 | 115.3 | P945 S1144 | P913-P945 HydrophobicContact CB-CG 4.15Å; P913-S1144 WeakPolarHBondContact CB-O 3.42Å; P913-S1144 VanDerWaalsContact CG-C 3.43Å; P913-S1144 WeakPolarHBondContact CG-O 3.01Å |
| 914 | V | 48.2 | Very low | 75.3 | Confident | 98 Ų | 98 | 49.9 Ų | 49.9 | 59% | 0.594 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 2 | 167.2 | -164.7 | 0 | 0 | 0 | 0 | 110.7 | G912 | G912-V914 VanDerWaalsContact C-N 3.3Å; G912-V914 PolarHBondContact O-N 3.05Å |
| 915 | G | 52 | Low | 75.3 | Confident | 9 Ų | 9 | 50.2 Ų | 50.2 | 9% | 0.093 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -76.3 | 161.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M909 G912 | M909-G915 WeakPolarHBondContact CE-O 3.09Å; M909-G915 WeakPolarHBondContact CG-O 3.21Å; G912-G915 PolarHBondContact O-N 3.48Å |
| 916 | D | 58.6 | Low | 75 | Confident | 90 Ų | 90 | 52.9 Ų | 52.9 | 48% | 0.481 | 28% | 0.283 | S | S | . | . | trans | -66.6 | 147.8 | 174.2 | -69.4 | -37.8 | 0 | 0 | 0 | 112 | H446 T918 | H446-D916 IonicContact CE1-OD1 2.72Å; D916-T918 PolarHBondContact O-N 3.33Å; D916-T918 VanDerWaalsContact O-N 3.14Å | ||
| 917 | W | 78.3 | Confident | 74.6 | Confident | 83 Ų | 83 | 59.1 Ų | 59.1 | 31% | 0.314 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 105.8 | 170.5 | -71.1 | 100.7 | 0 | 0 | 0 | 109.8 | Y907 M909 P945 R947 | Y907-W917 HydrophobicContact CD1-CB 4.32Å; M909-W917 HydrophobicContact CE-CD2 4.01Å; M909-W917 VanDerWaalsContact CE-CE2 3.41Å; M909-W917 HydrophobicContact CE-CG 4.26Å; M909-W917 HydrophobicContact CE-CZ2 3.74Å; M909-W917 VanDerWaalsContact CE-NE1 3.3Å; M909-W917 HydrophobicContact CG-CD2 3.95Å; M909-W917 HydrophobicContact CG-CE3 3.94Å; M909-W917 HydrophobicContact CG-CG 4.44Å; M909-W917 HydrophobicContact CG-CH2 4.45Å; M909-W917 HydrophobicContact CG-CZ2 4.46Å; M909-W917 HydrophobicContact CG-CZ3 4.18Å; M909-W917 HydrophobicContact SD-CD2 4.42Å; M909-W917 HydrophobicContact SD-CH2 4.19Å; M909-W917 HydrophobicContact SD-CZ2 3.96Å; W917-P945 HydrophobicContact CH2-CB 4.14Å; W917-P945 HydrophobicContact CZ3-CB 4.45Å; W917-R947 HydrophobicContact CE3-CB 3.92Å; W917-R947 HydrophobicContact CH2-CB 3.46Å; W917-R947 VanDerWaalsContact CH2-CB 3.46Å; W917-R947 HydrophobicContact CZ2-CB 4.2Å; W917-R947 HydrophobicContact CZ3-CB 3.3Å |
| 918 | T | 78.8 | Confident | 74.4 | Confident | 54 Ų | 54 | 62.9 Ų | 62.9 | 33% | 0.331 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 125.2 | 173.6 | 59.8 | 0 | 0 | 0 | 0 | 110.4 | Y907 M908 D916 C920 | Y907-T918 CarbonylContact C-O 3.51Å; Y907-T918 VanDerWaalsContact CA-O 3.28Å; Y907-T918 WeakPolarHBondContact CA-O 3.11Å; M908-T918 PolarHBondContact N-O 3.4Å; M908-T918 PolarHBondContact O-N 3.46Å; M908-T918 PolarHBondContact O-OG1 3.04Å; D916-T918 PolarHBondContact O-N 3.33Å; D916-T918 VanDerWaalsContact O-N 3.14Å; T918-C920 PolarHBondContact O-N 2.96Å; T918-C920 PolarHBondContact O-SG 2.94Å |
| 919 | Y | 83.5 | Confident | 74.4 | Confident | 127 Ų | 127 | 62.4 Ų | 62.4 | 50% | 0.498 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 125.6 | 173.5 | 173.6 | -100.6 | 0 | 0 | 0 | 109.8 | D905 Y907 G921 S922 | D905-Y919 HydrophobicContact CB-CE2 4.13Å; Y907-Y919 HydrophobicContact CD1-CD2 4.47Å; Y907-Y919 AromaticContact CE1-CD2 3.96Å; Y907-Y919 HydrophobicContact CE1-CD2 3.96Å; Y907-Y919 HydrophobicContact CE1-CG 4.39Å; Y907-Y919 HydrophobicContact CE2-CD2 4.4Å; Y907-Y919 AromaticContact CZ-CD2 3.9Å; Y919-G921 WeakPolarHBondContact CE2-O 3.48Å; Y919-G921 VanDerWaalsContact CZ-C 3.41Å; Y919-G921 VanDerWaalsContact CZ-CA 3.47Å; Y919-G921 WeakPolarHBondContact OH-CA 3.24Å; Y919-S922 PolarHBondContact OH-N 3.07Å; Y919-S922 PolarHBondContact OH-OG 2.89Å |
| 920 | C | 83.7 | Confident | 74.9 | Confident | 37 Ų | 37 | 64 Ų | 64 | 25% | 0.25 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -29.6 | -177.6 | -62.3 | 0 | 0 | 0 | 0 | 112.7 | I906 M908 T918 F933 L935 | I906-C920 HydrophobicContact CB-CB 4.45Å; I906-C920 HydrophobicContact CG2-CB 4.27Å; I906-C920 WeakPolarHBondContact O-CB 3.45Å; I906-C920 PolarHBondContact O-N 2.87Å; M908-C920 WeakPolarHBondContact CB-SG 3.4Å; T918-C920 PolarHBondContact O-N 2.96Å; T918-C920 PolarHBondContact O-SG 2.94Å; C920-F933 HydrophobicContact CB-CE1 3.68Å; C920-F933 HydrophobicContact CB-CZ 3.73Å; C920-F933 WeakPolarHBondContact O-CZ 3.3Å; C920-L935 HydrophobicContact CB-CD2 4.33Å |
| 921 | G | 86.1 | Confident | 75.7 | Confident | 13 Ų | 13 | 61.9 Ų | 61.9 | 13% | 0.134 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.3 | -177.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I906 Y919 | I906-G921 WeakPolarHBondContact CD1-O 3.45Å; I906-G921 PolarHBondContact N-O 3.43Å; Y919-G921 WeakPolarHBondContact CE2-O 3.48Å; Y919-G921 VanDerWaalsContact CZ-C 3.41Å; Y919-G921 VanDerWaalsContact CZ-CA 3.47Å; Y919-G921 WeakPolarHBondContact OH-CA 3.24Å |
| 922 | S | 88.8 | Confident | 76.9 | Confident | 36 Ų | 36 | 62.5 Ų | 62.5 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 140.1 | 175.5 | -56.6 | 0 | 0 | 0 | 0 | 110.2 | V904 D905 Y919 K951 | V904-S922 CarbonylContact O-C 3.57Å; V904-S922 VanDerWaalsContact O-CA 3.27Å; V904-S922 WeakPolarHBondContact O-CA 3.41Å; D905-S922 WeakPolarHBondContact OD1-CB 3.38Å; D905-S922 PolarHBondContact OD1-OG 2.83Å; Y919-S922 PolarHBondContact OH-N 3.07Å; Y919-S922 PolarHBondContact OH-OG 2.89Å; S922-K951 PolarHBondContact OG-NZ 2.86Å |
| 923 | E | 89.2 | Confident | 78.4 | Confident | 81 Ų | 81 | 62.3 Ų | 62.3 | 38% | 0.379 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 152.1 | 179 | -76.3 | -65.2 | 163.8 | 0 | 0 | 111.5 | V904 I906 L931 F933 | V904-E923 PolarHBondContact N-O 2.84Å; V904-E923 PolarHBondContact O-N 2.82Å; I906-E923 HydrophobicContact CD1-CB 4.19Å; I906-E923 HydrophobicContact CD1-CG 4.2Å; E923-L931 HydrophobicContact CB-CB 4.45Å; E923-L931 HydrophobicContact CB-CD1 4.44Å; E923-F933 HydrophobicContact CG-CB 4.33Å; E923-F933 HydrophobicContact CG-CD2 3.73Å; E923-F933 HydrophobicContact CG-CG 4.5Å |
| 924 | L | 91.6 | Very high | 79.9 | Confident | 101 Ų | 101 | 67.3 Ų | 67.3 | 53% | 0.529 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 139.3 | 174 | -66.1 | 178.1 | 0 | 0 | 0 | 110.6 | L858 E902 C903 | L858-L924 HydrophobicContact CD1-CD2 3.65Å; E902-L924 WeakPolarHBondContact O-CA 3.37Å; C903-L924 HydrophobicContact CB-CD2 3.88Å |
| 925 | T | 89.8 | Confident | 81.3 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 4% | 0.037 | 31% | 0.31 | C | S | . | . | trans | -73.5 | 141.6 | 172.5 | 56.8 | 0 | 0 | 0 | 0 | 112 | F889 L899 G901 E902 V904 R930 L931 | F889-T925 HydrophobicContact CB-CG2 4.32Å; F889-T925 HydrophobicContact CD2-CG2 3.99Å; F889-T925 HydrophobicContact CG-CG2 4.36Å; L899-T925 WeakPolarHBondContact O-CB 3.04Å; L899-T925 PolarHBondContact O-OG1 3.06Å; G901-T925 WeakPolarHBondContact CA-O 2.84Å; G901-T925 PolarHBondContact N-O 3.47Å; G901-T925 PolarHBondContact N-OG1 3.3Å; E902-T925 PolarHBondContact N-OG1 2.72Å; E902-T925 VanDerWaalsContact N-OG1 3.11Å; E902-T925 PolarHBondContact O-N 3.17Å; E902-T925 PolarHBondContact O-OG1 3.07Å; V904-T925 HydrophobicContact CG2-CG2 3.86Å; T925-R930 CarbonylContact C-O 3.53Å; T925-R930 WeakPolarHBondContact CA-O 3.37Å; T925-L931 HydrophobicContact CG2-CB 4.48Å; T925-L931 HydrophobicContact CG2-CD2 4.17Å | ||
| 926 | D | 85.1 | Confident | 82.2 | Confident | 66 Ų | 66 | 68.9 Ų | 68.9 | 35% | 0.353 | 35% | 0.345 | S | S | . | . | trans | -71.9 | 179.3 | 172.9 | 77 | 4.6 | 0 | 0 | 0 | 112.5 | S900 H928 G929 R930 | S900-D926 WeakPolarHBondContact CA-O 3.27Å; D926-H928 PolarHBondContact O-N 2.96Å; D926-H928 VanDerWaalsContact OD1-C 3.23Å; D926-H928 VanDerWaalsContact OD1-CA 3.22Å; D926-H928 WeakPolarHBondContact OD1-CA 3.42Å; D926-H928 WeakPolarHBondContact OD1-CB 3.46Å; D926-H928 PolarHBondContact OD1-N 3.45Å; D926-G929 PolarHBondContact O-N 3.25Å; D926-G929 PolarHBondContact OD1-N 3.08Å; D926-R930 VanDerWaalsContact CG-O 3.28Å; D926-R930 PolarHBondContact N-O 3.25Å; D926-R930 WeakPolarHBondContact OD1-CA 3.38Å; D926-R930 PolarHBondContact OD1-N 3.42Å | ||
| 927 | N | 81.5 | Confident | 83 | Confident | 131 Ų | 131 | 70.7 Ų | 70.7 | 70% | 0.701 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -5.7 | 177.9 | -67.1 | -26.9 | 0 | 0 | 0 | 114.7 | S900 | S900-N927 WeakPolarHBondContact OG-CA 3.43Å; S900-N927 PolarHBondContact OG-O 2.69Å |
| 928 | H | 79.5 | Confident | 82.8 | Confident | 119 Ų | 119 | 72.8 Ų | 72.8 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | 9.1 | 178 | -60.8 | -47 | 0 | 0 | 0 | 112.7 | R888 D926 R930 | R888-H928 PolarHBondContact NE-O 3.01Å; D926-H928 PolarHBondContact O-N 2.96Å; D926-H928 VanDerWaalsContact OD1-C 3.23Å; D926-H928 VanDerWaalsContact OD1-CA 3.22Å; D926-H928 WeakPolarHBondContact OD1-CA 3.42Å; D926-H928 WeakPolarHBondContact OD1-CB 3.46Å; D926-H928 PolarHBondContact OD1-N 3.45Å; H928-R930 HydrophobicContact CB-CG 4.35Å; H928-R930 PolarHBondContact O-N 3.35Å |
| 929 | G | 84.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 37% | 0.374 | C | S | . | . | S | Bend | trans | 74.7 | 12.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R888 F889 L899 D926 | R888-G929 CarbonylContact C-O 3.59Å; R888-G929 WeakPolarHBondContact CA-O 3.48Å; F889-G929 PolarHBondContact N-O 2.91Å; L899-G929 VanDerWaalsContact O-CA 3.24Å; L899-G929 WeakPolarHBondContact O-CA 3.48Å; D926-G929 PolarHBondContact O-N 3.25Å; D926-G929 PolarHBondContact OD1-N 3.08Å |
| 930 | R | 85.2 | Confident | 82.6 | Confident | 55 Ų | 55 | 70.5 Ų | 70.5 | 21% | 0.208 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 145.5 | -179.6 | -58.7 | 164.2 | 171.1 | -128.6 | 2.7 | 109.7 | A887 R888 T925 D926 H928 | A887-R930 CarbonylContact O-C 3.51Å; A887-R930 VanDerWaalsContact O-CA 3.24Å; A887-R930 WeakPolarHBondContact O-CA 3.5Å; R888-R930 HydrophobicContact CB-CG 4.31Å; R888-R930 HydrophobicContact CG-CG 3.87Å; T925-R930 CarbonylContact C-O 3.53Å; T925-R930 WeakPolarHBondContact CA-O 3.37Å; D926-R930 VanDerWaalsContact CG-O 3.28Å; D926-R930 PolarHBondContact N-O 3.25Å; D926-R930 WeakPolarHBondContact OD1-CA 3.38Å; D926-R930 PolarHBondContact OD1-N 3.42Å; H928-R930 HydrophobicContact CB-CG 4.35Å; H928-R930 PolarHBondContact O-N 3.35Å |
| 931 | L | 86.8 | Confident | 82.4 | Confident | 5 Ų | 5 | 71.9 Ų | 71.9 | 3% | 0.026 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 156.2 | 166.6 | 69.6 | 84.3 | 0 | 0 | 0 | 109.5 | Q886 A887 F889 V904 E923 T925 F933 M948 | Q886-L931 WeakPolarHBondContact CA-O 3.33Å; A887-L931 HydrophobicContact CB-CD1 4.41Å; A887-L931 HydrophobicContact CB-CG 4.4Å; A887-L931 PolarHBondContact N-O 3.27Å; A887-L931 VanDerWaalsContact N-O 3.08Å; A887-L931 PolarHBondContact O-N 3.11Å; F889-L931 HydrophobicContact CD2-CD2 3.81Å; F889-L931 HydrophobicContact CD2-CG 4.32Å; F889-L931 HydrophobicContact CE2-CD2 3.27Å; F889-L931 HydrophobicContact CE2-CG 3.8Å; F889-L931 HydrophobicContact CZ-CD2 4.08Å; V904-L931 HydrophobicContact CB-CD2 3.46Å; V904-L931 VanDerWaalsContact CB-CD2 3.46Å; V904-L931 HydrophobicContact CG1-CD2 3.75Å; V904-L931 HydrophobicContact CG2-CD2 3.63Å; E923-L931 HydrophobicContact CB-CB 4.45Å; E923-L931 HydrophobicContact CB-CD1 4.44Å; T925-L931 HydrophobicContact CG2-CB 4.48Å; T925-L931 HydrophobicContact CG2-CD2 4.17Å; L931-F933 HydrophobicContact CD1-CB 4.45Å; L931-M948 HydrophobicContact CD1-CE 4.36Å; L931-M948 HydrophobicContact CD1-SD 3.98Å |
| 932 | R | 82.4 | Confident | 82 | Confident | 161 Ų | 161 | 71.5 Ų | 71.5 | 61% | 0.608 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 139.5 | 171.6 | -68.9 | 179.9 | 176.6 | 164.3 | -1.9 | 109.2 | R885 Q886 | R885-R932 WeakPolarHBondContact O-CA 3.26Å; Q886-R932 HydrophobicContact CB-CG 4.19Å; Q886-R932 HydrophobicContact CG-CG 4.23Å |
| 933 | F | 83.9 | Confident | 81.7 | Confident | 19 Ų | 19 | 70.5 Ų | 70.5 | 8% | 0.083 | 37% | 0.373 | C | S | . | . | trans | -135 | 125.1 | -178.9 | -178.8 | -109.6 | 0 | 0 | 0 | 110.3 | R885 I906 C920 E923 L931 L935 | R885-F933 WeakPolarHBondContact CB-O 3.49Å; R885-F933 WeakPolarHBondContact CD-O 3.3Å; R885-F933 PolarHBondContact O-N 3Å; I906-F933 HydrophobicContact CB-CD1 4.22Å; I906-F933 HydrophobicContact CB-CE1 4.25Å; I906-F933 HydrophobicContact CD1-CB 4.33Å; I906-F933 HydrophobicContact CD1-CD2 3.87Å; I906-F933 HydrophobicContact CD1-CE2 4.32Å; I906-F933 HydrophobicContact CD1-CG 3.99Å; I906-F933 HydrophobicContact CG1-CB 4.33Å; I906-F933 HydrophobicContact CG1-CD1 4.2Å; I906-F933 HydrophobicContact CG1-CD2 4.41Å; I906-F933 HydrophobicContact CG1-CG 4.05Å; I906-F933 HydrophobicContact CG2-CD1 3.85Å; I906-F933 HydrophobicContact CG2-CE1 3.96Å; C920-F933 HydrophobicContact CB-CE1 3.68Å; C920-F933 HydrophobicContact CB-CZ 3.73Å; C920-F933 WeakPolarHBondContact O-CZ 3.3Å; E923-F933 HydrophobicContact CG-CB 4.33Å; E923-F933 HydrophobicContact CG-CD2 3.73Å; E923-F933 HydrophobicContact CG-CG 4.5Å; L931-F933 HydrophobicContact CD1-CB 4.45Å; F933-L935 HydrophobicContact CD1-CD2 4.48Å; F933-L935 HydrophobicContact CE1-CD2 3.6Å; F933-L935 HydrophobicContact CE1-CG 4.44Å; F933-L935 HydrophobicContact CZ-CD2 4.25Å | ||
| 934 | E | 80.4 | Confident | 81.3 | Confident | 123 Ų | 123 | 67.2 Ų | 67.2 | 58% | 0.575 | 36% | 0.357 | S | S | * | . | trans | -103 | 131.1 | -180 | -179.7 | 165.3 | -162.2 | 0 | 0 | 109.4 | N883 | N883-E934 HydrophobicContact CB-CG 3.86Å; N883-E934 WeakPolarHBondContact CB-OE1 3.39Å; N883-E934 PolarHBondContact ND2-OE1 3.03Å | ||
| 935 | L | 76.8 | Confident | 80.9 | Confident | 21 Ų | 21 | 62.4 Ų | 62.4 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | trans | -83.3 | 135.3 | 171.7 | -78.4 | -171.3 | 0 | 0 | 0 | 110.2 | R885 M908 C920 F933 L939 | R885-L935 VanDerWaalsContact NH1-CD1 3.34Å; R885-L935 VanDerWaalsContact NH1-CG 3.28Å; R885-L935 VanDerWaalsContact NH2-CG 3.28Å; M908-L935 HydrophobicContact CE-CD1 3.92Å; M908-L935 HydrophobicContact CE-CD2 4.45Å; M908-L935 HydrophobicContact SD-CD1 3.95Å; C920-L935 HydrophobicContact CB-CD2 4.33Å; F933-L935 HydrophobicContact CD1-CD2 4.48Å; F933-L935 HydrophobicContact CE1-CD2 3.6Å; F933-L935 HydrophobicContact CE1-CG 4.44Å; F933-L935 HydrophobicContact CZ-CD2 4.25Å; L935-L939 HydrophobicContact CD1-CD1 3.48Å; L935-L939 VanDerWaalsContact CD1-CD1 3.48Å; L935-L939 HydrophobicContact CD1-CG 4Å | ||
| 936 | S | 71.2 | Confident | 80.6 | Confident | 119 Ų | 119 | 62.1 Ų | 62.1 | 83% | 0.832 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -73.3 | -36.2 | 176.3 | -49.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 937 | D | 75.8 | Confident | 80.7 | Confident | 128 Ų | 128 | 61.1 Ų | 61.1 | 68% | 0.684 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -103.5 | 136.1 | -174.3 | -64.8 | -36.8 | 0 | 0 | 0 | 112.8 | L939 | D937-L939 PolarHBondContact O-N 2.86Š|
| 938 | P | 74.8 | Confident | 81 | Confident | 126 Ų | 126 | 54.9 Ų | 54.9 | 82% | 0.818 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 130.5 | 173.6 | 28.2 | -33 | 0 | 0 | 0 | 110.5 | ||
| 939 | L | 78.3 | Confident | 81.4 | Confident | 45 Ų | 45 | 50.3 Ų | 50.3 | 24% | 0.236 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -91 | 146.8 | 179.4 | -70.2 | 172.4 | 0 | 0 | 0 | 111.6 | M908 L935 D937 Y944 L961 V963 | M908-L939 HydrophobicContact CE-CD1 3.97Å; M908-L939 HydrophobicContact CE-CD2 3.91Å; M908-L939 HydrophobicContact SD-CD1 3.71Å; L935-L939 HydrophobicContact CD1-CD1 3.48Å; L935-L939 VanDerWaalsContact CD1-CD1 3.48Å; L935-L939 HydrophobicContact CD1-CG 4Å; D937-L939 PolarHBondContact O-N 2.86Å; L939-Y944 HydrophobicContact CB-CE2 4.1Å; L939-Y944 HydrophobicContact CD1-CD1 4.42Å; L939-Y944 HydrophobicContact CD1-CD2 4.11Å; L939-Y944 HydrophobicContact CD1-CE2 4.31Å; L939-Y944 HydrophobicContact CD1-CG 4.19Å; L939-Y944 HydrophobicContact CD2-CE1 4.34Å; L939-L961 HydrophobicContact CD1-CD2 3.48Å; L939-L961 VanDerWaalsContact CD1-CD2 3.48Å; L939-V963 HydrophobicContact CB-CG2 3.93Å |
| 940 | P | 78.5 | Confident | 81.5 | Confident | 89 Ų | 89 | 50.3 Ų | 50.3 | 58% | 0.578 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 168.2 | 172.2 | 20.9 | -21.3 | 0 | 0 | 0 | 111.8 | G942 Y944 V963 | P940-G942 PolarHBondContact O-N 3.42Å; P940-Y944 WeakPolarHBondContact CD-OH 3.35Å; P940-Y944 VanDerWaalsContact CG-OH 3.26Å; P940-Y944 WeakPolarHBondContact CG-OH 3.41Å; P940-Y944 WeakPolarHBondContact O-CE2 3.1Å; P940-Y944 PolarHBondContact O-OH 3.25Å; P940-V963 WeakPolarHBondContact O-CB 3.4Å; P940-V963 WeakPolarHBondContact O-CG1 3.48Å |
| 941 | V | 79.6 | Confident | 81.3 | Confident | 66 Ų | 66 | 50.1 Ų | 50.1 | 40% | 0.4 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -60.2 | 123.9 | 175.2 | 168.9 | 0 | 0 | 0 | 0 | 110.3 | V963 P965 V1137 | V941-V963 WeakPolarHBondContact CA-O 3.34Å; V941-P965 HydrophobicContact CG1-CG 3.79Å; V941-P965 HydrophobicContact CG2-CG 4.11Å; V941-V1137 HydrophobicContact CG1-CG2 3.53Å |
| 942 | G | 79.2 | Confident | 80.8 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.2 | 175.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P940 V963 | P940-G942 PolarHBondContact O-N 3.42Å; G942-V963 PolarHBondContact N-O 2.96Å; G942-V963 PolarHBondContact O-N 3.4Å |
| 943 | L | 81.1 | Confident | 80.6 | Confident | 15 Ų | 15 | 45 Ų | 45 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 130.2 | 170.7 | -60.3 | 173.9 | 0 | 0 | 0 | 108.6 | L961 A962 F1035 V1137 F1145 | L943-L961 CarbonylContact C-O 3.58Å; L943-L961 WeakPolarHBondContact CA-O 3.47Å; L943-A962 HydrophobicContact CD2-CB 3.47Å; L943-A962 VanDerWaalsContact CD2-CB 3.47Å; L943-F1035 HydrophobicContact CD1-CE1 3.75Å; L943-F1035 HydrophobicContact CD1-CZ 4.34Å; L943-V1137 HydrophobicContact CD1-CG1 4.06Å; L943-V1137 HydrophobicContact CD2-CG1 3.73Å; L943-V1137 HydrophobicContact CG-CG1 3.57Å; L943-F1145 HydrophobicContact CB-CE2 3.95Å; L943-F1145 HydrophobicContact CB-CZ 3.69Å; L943-F1145 HydrophobicContact CD1-CD2 4.48Å; L943-F1145 HydrophobicContact CD1-CE2 3.51Å; L943-F1145 HydrophobicContact CD1-CZ 3.84Å; L943-F1145 HydrophobicContact CG-CE2 4.38Å; L943-F1145 HydrophobicContact CG-CZ 4.39Å |
| 944 | Y | 81.2 | Confident | 80.5 | Confident | 13 Ų | 13 | 49.5 Ų | 49.5 | 5% | 0.051 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 104.5 | -173.4 | -59.1 | -86.6 | 0 | 0 | 0 | 108.8 | M909 S910 L939 P940 V946 L961 V963 | M909-Y944 WeakPolarHBondContact O-CD1 3.39Å; S910-Y944 WeakPolarHBondContact O-CE1 3.49Å; L939-Y944 HydrophobicContact CB-CE2 4.1Å; L939-Y944 HydrophobicContact CD1-CD1 4.42Å; L939-Y944 HydrophobicContact CD1-CD2 4.11Å; L939-Y944 HydrophobicContact CD1-CE2 4.31Å; L939-Y944 HydrophobicContact CD1-CG 4.19Å; L939-Y944 HydrophobicContact CD2-CE1 4.34Å; P940-Y944 WeakPolarHBondContact CD-OH 3.35Å; P940-Y944 VanDerWaalsContact CG-OH 3.26Å; P940-Y944 WeakPolarHBondContact CG-OH 3.41Å; P940-Y944 WeakPolarHBondContact O-CE2 3.1Å; P940-Y944 PolarHBondContact O-OH 3.25Å; Y944-V946 PolarHBondContact O-N 3.03Å; Y944-L961 HydrophobicContact CD2-CD2 4.16Å; Y944-L961 HydrophobicContact CG-CD2 4.35Å; Y944-L961 PolarHBondContact N-O 3.04Å; Y944-L961 WeakPolarHBondContact O-CB 3.04Å; Y944-L961 PolarHBondContact O-N 2.97Å; Y944-V963 HydrophobicContact CD2-CG2 4.01Å; Y944-V963 HydrophobicContact CE2-CB 4.2Å; Y944-V963 HydrophobicContact CE2-CG2 3.78Å |
| 945 | P | 83.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 134 | 166.7 | -24.9 | 34.1 | 0 | 0 | 0 | 111 | M908 M909 P913 W917 F1145 Y1148 | M908-P945 WeakPolarHBondContact CA-O 3.31Å; M909-P945 HydrophobicContact CB-CB 4.27Å; M909-P945 HydrophobicContact CB-CG 4.26Å; M909-P945 HydrophobicContact CG-CB 4.48Å; M909-P945 PolarHBondContact N-O 2.79Å; M909-P945 HydrophobicContact SD-CB 3.93Å; M909-P945 HydrophobicContact SD-CG 3.97Å; P913-P945 HydrophobicContact CB-CG 4.15Å; W917-P945 HydrophobicContact CH2-CB 4.14Å; W917-P945 HydrophobicContact CZ3-CB 4.45Å; P945-F1145 HydrophobicContact CG-CE1 4.33Å; P945-Y1148 HydrophobicContact CB-CD2 3.88Å; P945-Y1148 HydrophobicContact CB-CE2 3.91Å; P945-Y1148 HydrophobicContact CG-CD2 4.18Å |
| 946 | V | 84.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 131.9 | 176.1 | 176.9 | 0 | 0 | 0 | 0 | 108.3 | I906 Y907 M908 Y944 M948 D958 L959 L961 | I906-V946 HydrophobicContact CG2-CG1 3.84Å; Y907-V946 CarbonylContact O-C 3.53Å; Y907-V946 VanDerWaalsContact O-CA 3.31Å; Y907-V946 WeakPolarHBondContact O-CA 3.27Å; M908-V946 HydrophobicContact CB-CG2 4.29Å; M908-V946 HydrophobicContact CG-CG2 3.97Å; M908-V946 HydrophobicContact SD-CG2 4.33Å; Y944-V946 PolarHBondContact O-N 3.03Å; V946-M948 HydrophobicContact CG1-CE 4.18Å; V946-M948 HydrophobicContact CG1-CG 4.36Å; V946-D958 WeakPolarHBondContact O-CA 3.5Å; V946-L959 HydrophobicContact CB-CD1 3.72Å; V946-L959 HydrophobicContact CB-CG 3.91Å; V946-L959 HydrophobicContact CG1-CD1 4.34Å; V946-L959 HydrophobicContact CG1-CG 4.28Å; V946-L959 HydrophobicContact CG2-CD1 4.05Å; V946-L959 PolarHBondContact N-O 3.11Å; V946-L959 PolarHBondContact O-N 2.86Å; V946-L959 VanDerWaalsContact O-O 3.13Å; V946-L961 HydrophobicContact CG2-CB 4.16Å |
| 947 | R | 85.5 | Confident | 81.3 | Confident | 44 Ų | 44 | 43.6 Ų | 43.6 | 17% | 0.166 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 128.9 | 177.6 | 174.3 | 168 | -69.9 | 171.7 | -0.5 | 109.4 | Y907 W917 I949 F956 D958 | Y907-R947 PolarHBondContact N-O 2.76Å; Y907-R947 PolarHBondContact O-N 3.25Å; W917-R947 HydrophobicContact CE3-CB 3.92Å; W917-R947 HydrophobicContact CH2-CB 3.46Å; W917-R947 VanDerWaalsContact CH2-CB 3.46Å; W917-R947 HydrophobicContact CZ2-CB 4.2Å; W917-R947 HydrophobicContact CZ3-CB 3.3Å; R947-I949 HydrophobicContact CG-CD1 4.15Å; R947-I949 HydrophobicContact CG-CG1 3.73Å; R947-F956 HydrophobicContact CG-CB 4.19Å; R947-F956 HydrophobicContact CG-CD2 4.15Å; R947-F956 HydrophobicContact CG-CG 4.4Å; R947-D958 VanDerWaalsContact CB-OD1 3.3Å; R947-D958 WeakPolarHBondContact CB-OD1 3.46Å; R947-D958 VanDerWaalsContact CG-OD1 3.23Å; R947-D958 WeakPolarHBondContact CG-OD1 3.36Å; R947-D958 IonicContact CZ-OD1 3.06Å; R947-D958 IonicContact CZ-OD2 3.98Å; R947-D958 IonicContact NE-OD1 3.41Å; R947-D958 PolarHBondContact NE-OD1 3.41Å; R947-D958 IonicContact NE-OD2 3.07Å; R947-D958 IonicContact NH2-OD1 3.39Å; R947-D958 IonicContact NH2-OD2 3.33Å; R947-D958 PolarHBondContact NH2-OD2 3.48Å |
| 948 | M | 88.7 | Confident | 81.6 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 115.7 | 179.4 | -60.9 | -177 | 177.9 | 0 | 0 | 109.3 | A887 F889 V904 D905 I906 L931 V946 F956 S957 L959 | A887-M948 HydrophobicContact CB-CE 4.11Å; A887-M948 HydrophobicContact CB-SD 3.24Å; A887-M948 WeakPolarHBondContact CB-SD 3.38Å; F889-M948 HydrophobicContact CE1-CB 4.34Å; F889-M948 HydrophobicContact CE2-SD 4.43Å; F889-M948 HydrophobicContact CZ-CB 3.62Å; F889-M948 HydrophobicContact CZ-SD 4.23Å; V904-M948 HydrophobicContact CG1-CB 3.8Å; D905-M948 CarbonylContact O-C 3.58Å; D905-M948 VanDerWaalsContact O-CA 3.27Å; D905-M948 WeakPolarHBondContact O-CA 3.2Å; I906-M948 HydrophobicContact CG1-CE 4.44Å; I906-M948 HydrophobicContact CG1-CG 4.06Å; I906-M948 HydrophobicContact CG2-CE 4.48Å; I906-M948 HydrophobicContact CG2-CG 4.31Å; L931-M948 HydrophobicContact CD1-CE 4.36Å; L931-M948 HydrophobicContact CD1-SD 3.98Å; V946-M948 HydrophobicContact CG1-CE 4.18Å; V946-M948 HydrophobicContact CG1-CG 4.36Å; M948-F956 CarbonylContact O-C 3.56Å; M948-F956 WeakPolarHBondContact O-CA 3.26Å; M948-F956 VanDerWaalsContact O-CB 3.28Å; M948-F956 WeakPolarHBondContact O-CB 3.4Å; M948-S957 PolarHBondContact N-O 3.38Å; M948-S957 PolarHBondContact O-N 2.92Å; M948-L959 HydrophobicContact CE-CD2 3.82Å |
| 949 | I | 86.9 | Confident | 82.1 | Confident | 22 Ų | 22 | 32 Ų | 32 | 11% | 0.113 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 121.9 | -170.9 | -51.2 | -177 | 0 | 0 | 0 | 109.7 | V904 D905 Y907 R947 K951 R954 T955 F956 | V904-I949 CarbonylContact C-O 3.58Å; V904-I949 WeakPolarHBondContact CA-O 3.49Å; D905-I949 PolarHBondContact N-O 3.02Å; D905-I949 PolarHBondContact O-N 2.87Å; Y907-I949 HydrophobicContact CD2-CD1 3.91Å; Y907-I949 HydrophobicContact CD2-CG1 4.14Å; Y907-I949 HydrophobicContact CE2-CD1 3.83Å; Y907-I949 HydrophobicContact CE2-CG1 4.22Å; R947-I949 HydrophobicContact CG-CD1 4.15Å; R947-I949 HydrophobicContact CG-CG1 3.73Å; I949-K951 PolarHBondContact O-N 2.83Å; I949-R954 HydrophobicContact CG2-CB 4.41Å; I949-T955 CarbonylContact C-O 3.58Å; I949-T955 WeakPolarHBondContact CA-O 3.39Å; I949-F956 HydrophobicContact CB-CB 4.38Å; I949-F956 HydrophobicContact CG1-CB 3.95Å |
| 950 | V | 87.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 125.7 | 172 | -178.8 | 0 | 0 | 0 | 0 | 109 | W857 F889 L899 V904 G952 R954 T955 | W857-V950 HydrophobicContact CH2-CG1 4.05Å; W857-V950 HydrophobicContact CZ3-CG1 3.81Å; F889-V950 HydrophobicContact CD1-CG2 3.41Å; F889-V950 VanDerWaalsContact CD1-CG2 3.41Å; F889-V950 HydrophobicContact CE1-CG2 3.84Å; F889-V950 HydrophobicContact CG-CG2 4.34Å; L899-V950 HydrophobicContact CD1-CB 4.45Å; L899-V950 HydrophobicContact CD1-CG1 3.66Å; L899-V950 HydrophobicContact CD1-CG2 3.85Å; V904-V950 HydrophobicContact CG2-CG2 4.23Å; V950-G952 VanDerWaalsContact C-N 3.32Å; V950-G952 PolarHBondContact O-N 2.83Å; V950-R954 WeakPolarHBondContact O-CA 3.4Å; V950-R954 PolarHBondContact O-N 2.84Å; V950-T955 PolarHBondContact N-O 2.84Å |
| 951 | K | 82 | Confident | 82.7 | Confident | 51 Ų | 51 | 25.7 Ų | 25.7 | 22% | 0.222 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -34.8 | -179.6 | -90.6 | -179.1 | 148.8 | 134.7 | 0 | 113.8 | D855 C903 D905 S922 I949 | D855-K951 HydrophobicContact CB-CB 4.01Å; D855-K951 PolarHBondContact N-O 2.97Å; D855-K951 VanDerWaalsContact OD2-CD 3.29Å; D855-K951 WeakPolarHBondContact OD2-CD 3.36Å; D855-K951 WeakPolarHBondContact OD2-CE 3.31Å; C903-K951 HydrophobicContact CB-CB 4.44Å; C903-K951 HydrophobicContact CB-CD 4.04Å; C903-K951 PolarHBondContact O-N 2.75Å; D905-K951 WeakPolarHBondContact OD1-CD 3.27Å; D905-K951 WeakPolarHBondContact OD1-CE 3.49Å; D905-K951 IonicContact OD1-NZ 2.87Å; D905-K951 PolarHBondContact OD1-NZ 2.92Å; D905-K951 WeakPolarHBondContact OD2-CE 3.47Å; D905-K951 WeakPolarHBondContact OD2-CG 3.44Å; D905-K951 IonicContact OD2-NZ 3.41Å; D905-K951 PolarHBondContact OD2-NZ 3.34Å; S922-K951 PolarHBondContact OG-NZ 2.86Å; I949-K951 PolarHBondContact O-N 2.83Å |
| 952 | G | 76.2 | Confident | 83 | Confident | 8 Ų | 8 | 22.5 Ų | 22.5 | 8% | 0.082 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -40.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | D855 V950 | D855-G952 WeakPolarHBondContact O-CA 3.34Å; V950-G952 VanDerWaalsContact C-N 3.32Å; V950-G952 PolarHBondContact O-N 2.83Å |
| 953 | D | 78.6 | Confident | 83.2 | Confident | 50 Ų | 50 | 23.4 Ų | 23.4 | 27% | 0.267 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -136.3 | 6.7 | -179.7 | 64.8 | 0.2 | 0 | 0 | 0 | 114.2 | W857 Y891 T955 | W857-D953 HydrophobicContact CH2-CB 3.93Å; W857-D953 HydrophobicContact CZ2-CB 3.58Å; Y891-D953 VanDerWaalsContact CE1-OD2 3.22Å; Y891-D953 WeakPolarHBondContact CE1-OD2 3.2Å; Y891-D953 VanDerWaalsContact CZ-OD2 3.24Å; Y891-D953 PolarHBondContact OH-OD1 2.68Å; Y891-D953 PolarHBondContact OH-OD2 3.1Å; D953-T955 HydrophobicContact CB-CG2 4.47Å; D953-T955 VanDerWaalsContact CG-CG2 3.43Å; D953-T955 PolarHBondContact O-N 2.86Å; D953-T955 VanDerWaalsContact O-N 3.1Å; D953-T955 WeakPolarHBondContact OD1-CB 3.23Å; D953-T955 WeakPolarHBondContact OD1-CG2 3.15Å; D953-T955 PolarHBondContact OD1-N 2.92Å; D953-T955 VanDerWaalsContact OD1-N 3.08Å; D953-T955 PolarHBondContact OD1-OG1 3.5Å; D953-T955 VanDerWaalsContact OD2-CG2 3.26Å; D953-T955 WeakPolarHBondContact OD2-CG2 2.95Å; D953-T955 PolarHBondContact OD2-OG1 3.09Å |
| 954 | R | 79.8 | Confident | 83.4 | Confident | 114 Ų | 114 | 23.6 Ų | 23.6 | 43% | 0.43 | 11% | 0.111 | S | C | . | . | trans | 63.3 | 14.6 | 177 | -51.1 | -76.9 | -80.6 | 155 | -2.7 | 113.9 | T854 I949 V950 | T854-R954 HydrophobicContact CG2-CG 4.11Å; I949-R954 HydrophobicContact CG2-CB 4.41Å; V950-R954 WeakPolarHBondContact O-CA 3.4Å; V950-R954 PolarHBondContact O-N 2.84Å | ||
| 955 | T | 80.2 | Confident | 83.6 | Confident | 35 Ų | 35 | 23.6 Ų | 23.6 | 22% | 0.215 | 11% | 0.112 | C | C | . | . | trans | -66.6 | 153.8 | 167 | 57.7 | 0 | 0 | 0 | 0 | 109.8 | A871 H873 Y891 I949 V950 D953 | A871-T955 HydrophobicContact CB-CG2 3.74Å; H873-T955 WeakPolarHBondContact NE2-CB 3.34Å; H873-T955 PolarHBondContact NE2-OG1 2.74Å; Y891-T955 PolarHBondContact OH-OG1 3.06Å; I949-T955 CarbonylContact C-O 3.58Å; I949-T955 WeakPolarHBondContact CA-O 3.39Å; V950-T955 PolarHBondContact N-O 2.84Å; D953-T955 HydrophobicContact CB-CG2 4.47Å; D953-T955 VanDerWaalsContact CG-CG2 3.43Å; D953-T955 PolarHBondContact O-N 2.86Å; D953-T955 VanDerWaalsContact O-N 3.1Å; D953-T955 WeakPolarHBondContact OD1-CB 3.23Å; D953-T955 WeakPolarHBondContact OD1-CG2 3.15Å; D953-T955 PolarHBondContact OD1-N 2.92Å; D953-T955 VanDerWaalsContact OD1-N 3.08Å; D953-T955 PolarHBondContact OD1-OG1 3.5Å; D953-T955 VanDerWaalsContact OD2-CG2 3.26Å; D953-T955 WeakPolarHBondContact OD2-CG2 2.95Å; D953-T955 PolarHBondContact OD2-OG1 3.09Å | ||
| 956 | F | 82.1 | Confident | 83.6 | Confident | 98 Ų | 98 | 28 Ų | 28 | 43% | 0.43 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 161.7 | -171.2 | 65.4 | -88.5 | 0 | 0 | 0 | 113.6 | R947 M948 I949 D958 | R947-F956 HydrophobicContact CG-CB 4.19Å; R947-F956 HydrophobicContact CG-CD2 4.15Å; R947-F956 HydrophobicContact CG-CG 4.4Å; M948-F956 CarbonylContact O-C 3.56Å; M948-F956 WeakPolarHBondContact O-CA 3.26Å; M948-F956 VanDerWaalsContact O-CB 3.28Å; M948-F956 WeakPolarHBondContact O-CB 3.4Å; I949-F956 HydrophobicContact CB-CB 4.38Å; I949-F956 HydrophobicContact CG1-CB 3.95Å; F956-D958 WeakPolarHBondContact CD2-OD1 3.2Å; F956-D958 WeakPolarHBondContact CE2-OD2 3.28Å |
| 957 | S | 83.3 | Confident | 83.7 | Confident | 7 Ų | 7 | 33.9 Ų | 33.9 | 5% | 0.049 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 133.4 | 168.6 | -166.9 | 0 | 0 | 0 | 0 | 109.6 | R874 M948 | R874-S957 WeakPolarHBondContact CA-OG 3.39Å; R874-S957 PolarHBondContact N-OG 2.91Å; M948-S957 PolarHBondContact N-O 3.38Å; M948-S957 PolarHBondContact O-N 2.92Å |
| 958 | D | 82.3 | Confident | 83.9 | Confident | 10 Ų | 10 | 32 Ų | 32 | 5% | 0.053 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 144 | 174.7 | -69.3 | -18.7 | 0 | 0 | 0 | 110.2 | V946 R947 F956 Y1148 F1152 | V946-D958 WeakPolarHBondContact O-CA 3.5Å; R947-D958 VanDerWaalsContact CB-OD1 3.3Å; R947-D958 WeakPolarHBondContact CB-OD1 3.46Å; R947-D958 VanDerWaalsContact CG-OD1 3.23Å; R947-D958 WeakPolarHBondContact CG-OD1 3.36Å; R947-D958 IonicContact CZ-OD1 3.06Å; R947-D958 IonicContact CZ-OD2 3.98Å; R947-D958 IonicContact NE-OD1 3.41Å; R947-D958 PolarHBondContact NE-OD1 3.41Å; R947-D958 IonicContact NE-OD2 3.07Å; R947-D958 IonicContact NH2-OD1 3.39Å; R947-D958 IonicContact NH2-OD2 3.33Å; R947-D958 PolarHBondContact NH2-OD2 3.48Å; F956-D958 WeakPolarHBondContact CD2-OD1 3.2Å; F956-D958 WeakPolarHBondContact CE2-OD2 3.28Å; D958-Y1148 HydrophobicContact CB-CE2 4.3Å; D958-F1152 HydrophobicContact CB-CE2 4.41Å; D958-F1152 HydrophobicContact CB-CZ 4.21Å |
| 959 | L | 85.3 | Confident | 84.1 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 157.9 | 169.8 | 69.1 | 87.2 | 0 | 0 | 0 | 110.6 | A875 V878 V946 M948 Y1148 | A875-L959 HydrophobicContact CB-CB 3.96Å; A875-L959 HydrophobicContact CB-CD2 3.5Å; A875-L959 VanDerWaalsContact CB-CD2 3.5Å; A875-L959 HydrophobicContact CB-CG 4.35Å; V878-L959 HydrophobicContact CG2-CD1 4.44Å; V946-L959 HydrophobicContact CB-CD1 3.72Å; V946-L959 HydrophobicContact CB-CG 3.91Å; V946-L959 HydrophobicContact CG1-CD1 4.34Å; V946-L959 HydrophobicContact CG1-CG 4.28Å; V946-L959 HydrophobicContact CG2-CD1 4.05Å; V946-L959 PolarHBondContact N-O 3.11Å; V946-L959 PolarHBondContact O-N 2.86Å; V946-L959 VanDerWaalsContact O-O 3.13Å; M948-L959 HydrophobicContact CE-CD2 3.82Å; L959-Y1148 VanDerWaalsContact CA-OH 3.27Å; L959-Y1148 WeakPolarHBondContact CA-OH 3.48Å; L959-Y1148 PolarHBondContact N-OH 3.19Å; L959-Y1148 PolarHBondContact O-OH 3.11Å |
| 960 | C | 84.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 127.6 | 172.1 | -167.9 | 0 | 0 | 0 | 0 | 110.9 | D877 V878 F1035 L1037 Y1148 | D877-C960 WeakPolarHBondContact CA-O 3.29Å; D877-C960 WeakPolarHBondContact OD1-CB 3.33Å; D877-C960 PolarHBondContact OD1-N 3.1Å; V878-C960 PolarHBondContact N-O 3.25Å; C960-F1035 HydrophobicContact CB-CZ 4.3Å; C960-L1037 HydrophobicContact CB-CD2 4.3Å; C960-Y1148 PolarHBondContact N-OH 2.89Å |
| 961 | L | 84.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 121.5 | 170.6 | 174.4 | 83.3 | 0 | 0 | 0 | 109.7 | V878 A880 M908 L939 L943 Y944 V946 V963 | V878-L961 HydrophobicContact CB-CD1 4.05Å; V878-L961 HydrophobicContact CG1-CD1 3.92Å; V878-L961 CarbonylContact O-C 3.58Å; V878-L961 WeakPolarHBondContact O-CA 3.36Å; A880-L961 HydrophobicContact CB-CD1 3.85Å; M908-L961 HydrophobicContact SD-CD2 4.29Å; L939-L961 HydrophobicContact CD1-CD2 3.48Å; L939-L961 VanDerWaalsContact CD1-CD2 3.48Å; L943-L961 CarbonylContact C-O 3.58Å; L943-L961 WeakPolarHBondContact CA-O 3.47Å; Y944-L961 HydrophobicContact CD2-CD2 4.16Å; Y944-L961 HydrophobicContact CG-CD2 4.35Å; Y944-L961 PolarHBondContact N-O 3.04Å; Y944-L961 WeakPolarHBondContact O-CB 3.04Å; Y944-L961 PolarHBondContact O-N 2.97Å; V946-L961 HydrophobicContact CG2-CB 4.16Å; L961-V963 HydrophobicContact CD2-CG2 4.49Å |
| 962 | A | 85.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 115.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V878 I879 A880 L943 L964 L1037 | V878-A962 PolarHBondContact O-N 3.42Å; I879-A962 WeakPolarHBondContact CA-O 3.2Å; I879-A962 HydrophobicContact CG1-CB 4.45Å; A880-A962 PolarHBondContact N-O 3.23Å; L943-A962 HydrophobicContact CD2-CB 3.47Å; L943-A962 VanDerWaalsContact CD2-CB 3.47Å; A962-L964 HydrophobicContact CB-CD1 4.45Å; A962-L964 HydrophobicContact CB-CD2 4.03Å; A962-L964 HydrophobicContact CB-CG 4.05Å; A962-L1037 HydrophobicContact CB-CD1 3.8Å; A962-L1037 HydrophobicContact CB-CD2 4.28Å |
| 963 | V | 84.7 | Confident | 86.2 | Confident | 23 Ų | 23 | 28.8 Ų | 28.8 | 14% | 0.139 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 105.7 | 167.7 | -176.6 | 0 | 0 | 0 | 0 | 107.2 | A880 L939 P940 V941 G942 Y944 L961 | A880-V963 HydrophobicContact CB-CG2 4.48Å; L939-V963 HydrophobicContact CB-CG2 3.93Å; P940-V963 WeakPolarHBondContact O-CB 3.4Å; P940-V963 WeakPolarHBondContact O-CG1 3.48Å; V941-V963 WeakPolarHBondContact CA-O 3.34Å; G942-V963 PolarHBondContact N-O 2.96Å; G942-V963 PolarHBondContact O-N 3.4Å; Y944-V963 HydrophobicContact CD2-CG2 4.01Å; Y944-V963 HydrophobicContact CE2-CB 4.2Å; Y944-V963 HydrophobicContact CE2-CG2 3.78Å; L961-V963 HydrophobicContact CD2-CG2 4.49Å |
| 964 | L | 85.2 | Confident | 86.8 | Confident | 18 Ų | 18 | 26.4 Ų | 26.4 | 9% | 0.094 | 13% | 0.132 | C | C | . | . | trans | -107.8 | 145.2 | -171.1 | -58.7 | -179.8 | 0 | 0 | 0 | 111.4 | I879 A962 T968 L1009 I1065 V1137 | I879-L964 HydrophobicContact CD1-CD1 4.05Å; I879-L964 HydrophobicContact CG1-CD1 4.28Å; I879-L964 HydrophobicContact CG2-CB 4.44Å; I879-L964 HydrophobicContact CG2-CD1 3.65Å; I879-L964 HydrophobicContact CG2-CG 4.02Å; A962-L964 HydrophobicContact CB-CD1 4.45Å; A962-L964 HydrophobicContact CB-CD2 4.03Å; A962-L964 HydrophobicContact CB-CG 4.05Å; L964-T968 HydrophobicContact CD1-CG2 4.35Å; L964-L1009 HydrophobicContact CD1-CD2 3.4Å; L964-L1009 HydrophobicContact CD2-CD2 4.13Å; L964-L1009 HydrophobicContact CG-CD2 4.42Å; L964-I1065 HydrophobicContact CD1-CG2 4Å; L964-V1137 HydrophobicContact CD2-CB 4.32Å; L964-V1137 HydrophobicContact CD2-CG1 3.84Å; L964-V1137 HydrophobicContact CD2-CG2 4.27Å | ||
| 965 | P | 84.6 | Confident | 87.1 | Confident | 13 Ų | 13 | 21.2 Ų | 21.2 | 8% | 0.084 | 11% | 0.113 | C | C | . | . | trans | -61.2 | 150 | 164.9 | -19.7 | 33.2 | 0 | 0 | 0 | 111 | V941 T968 K1133 | V941-P965 HydrophobicContact CG1-CG 3.79Å; V941-P965 HydrophobicContact CG2-CG 4.11Å; P965-T968 WeakPolarHBondContact CD-OG1 3.39Å; P965-T968 PolarHBondContact O-N 3.08Å; P965-T968 PolarHBondContact O-OG1 3.47Å; P965-K1133 HydrophobicContact CB-CB 4.02Å; P965-K1133 HydrophobicContact CG-CB 3.86Å | ||
| 966 | P | 83.6 | Confident | 86.9 | Confident | 94 Ų | 94 | 21.1 Ų | 21.1 | 61% | 0.61 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 149.8 | 169.7 | -22.5 | 32.7 | 0 | 0 | 0 | 111.6 | T968 K1064 | P966-T968 VanDerWaalsContact C-N 3.25Å; P966-T968 PolarHBondContact O-N 3.41Å; P966-K1064 HydrophobicContact CB-CB 4.37Å; P966-K1064 HydrophobicContact CB-CD 4.43Å |
| 967 | E | 86.3 | Confident | 86.2 | Confident | 122 Ų | 122 | 18 Ų | 18 | 57% | 0.57 | 11% | 0.107 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 27.3 | -178.5 | -53.6 | -60.5 | 140.2 | 0 | 0 | 114 | E969 K1064 | E967-E969 PolarHBondContact O-N 3.07Å; E967-K1064 WeakPolarHBondContact CA-O 3.37Å; E967-K1064 PolarHBondContact N-O 3.33Å |
| 968 | T | 89.9 | Confident | 85.4 | Confident | 4 Ų | 4 | 17.7 Ų | 17.7 | 3% | 0.025 | 11% | 0.105 | C | C | . | . | trans | -64 | 124.4 | 173.9 | -67.9 | 0 | 0 | 0 | 0 | 110.2 | L964 P965 P966 L1009 K1066 | L964-T968 HydrophobicContact CD1-CG2 4.35Å; P965-T968 WeakPolarHBondContact CD-OG1 3.39Å; P965-T968 PolarHBondContact O-N 3.08Å; P965-T968 PolarHBondContact O-OG1 3.47Å; P966-T968 VanDerWaalsContact C-N 3.25Å; P966-T968 PolarHBondContact O-N 3.41Å; T968-L1009 HydrophobicContact CG2-CB 4.37Å; T968-L1009 HydrophobicContact CG2-CD2 4.46Å; T968-K1066 PolarHBondContact O-N 3.35Å | ||
| 969 | E | 93.1 | Very high | 85.1 | Confident | 16 Ų | 16 | 17.2 Ų | 17.2 | 8% | 0.075 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 126.9 | -177.7 | -56.5 | -167.7 | 136.3 | 0 | 0 | 112 | E967 Y1008 L1009 K1066 R1128 A1130 V1131 | E967-E969 PolarHBondContact O-N 3.07Å; E969-Y1008 HydrophobicContact CB-CD1 3.8Å; E969-Y1008 HydrophobicContact CB-CE1 3.84Å; E969-L1009 PolarHBondContact O-N 2.87Å; E969-L1009 VanDerWaalsContact O-N 3.09Å; E969-K1066 CarbonylContact C-O 3.51Å; E969-K1066 WeakPolarHBondContact CA-O 3.17Å; E969-K1066 IonicContact OE1-NZ 3.55Å; E969-K1066 PolarHBondContact OE1-NZ 2.75Å; E969-R1128 IonicContact OE1-CZ 3.6Å; E969-R1128 IonicContact OE1-NH1 3.28Å; E969-R1128 PolarHBondContact OE1-NH1 3.02Å; E969-R1128 IonicContact OE1-NH2 3.28Å; E969-R1128 PolarHBondContact OE1-NH2 2.77Å; E969-R1128 IonicContact OE2-CZ 3.84Å; E969-R1128 IonicContact OE2-NH1 2.94Å; E969-R1128 PolarHBondContact OE2-NH1 3.34Å; E969-R1128 IonicContact OE2-NH2 2.92Å; E969-A1130 HydrophobicContact CB-CB 4.37Å; E969-A1130 WeakPolarHBondContact OE2-CA 3.49Å; E969-V1131 PolarHBondContact OE2-N 3.35Å |
| 970 | C | 93.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 149.3 | -171.9 | -62.9 | 0 | 0 | 0 | 0 | 112.2 | L1009 L1011 K1066 E1068 | C970-L1009 CarbonylContact C-O 3.55Å; C970-L1009 VanDerWaalsContact CA-O 3.23Å; C970-L1009 WeakPolarHBondContact CA-O 3.44Å; C970-L1011 HydrophobicContact CB-CD1 3.76Å; C970-L1011 HydrophobicContact CB-CG 4.07Å; C970-K1066 PolarHBondContact N-O 2.88Å; C970-E1068 PolarHBondContact O-N 2.73Å |
| 971 | V | 94.6 | Very high | 82 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 126.9 | 168.8 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | F973 W1003 Y1008 L1009 I1010 L1011 V1069 Y1071 | V971-F973 HydrophobicContact CB-CE2 4.24Å; V971-F973 HydrophobicContact CG1-CD2 4.09Å; V971-F973 HydrophobicContact CG1-CE2 3.42Å; V971-F973 VanDerWaalsContact CG1-CE2 3.42Å; V971-F973 HydrophobicContact CG1-CZ 3.86Å; V971-W1003 HydrophobicContact CB-CB 4.39Å; V971-W1003 HydrophobicContact CB-CG 4.48Å; V971-W1003 HydrophobicContact CG1-CB 4.43Å; V971-W1003 HydrophobicContact CG1-CG 4.13Å; V971-W1003 HydrophobicContact CG2-CB 4.05Å; V971-W1003 HydrophobicContact CG2-CD2 3.98Å; V971-W1003 HydrophobicContact CG2-CE3 3.94Å; V971-W1003 HydrophobicContact CG2-CG 4.03Å; V971-Y1008 HydrophobicContact CG2-CD1 3.89Å; V971-Y1008 HydrophobicContact CG2-CD2 4.44Å; V971-Y1008 HydrophobicContact CG2-CG 3.77Å; V971-L1009 PolarHBondContact N-O 2.71Å; V971-I1010 HydrophobicContact CB-CD1 4.33Å; V971-L1011 PolarHBondContact O-N 2.87Å; V971-V1069 WeakPolarHBondContact CA-O 3.35Å; V971-V1069 HydrophobicContact CG1-CB 4.2Å; V971-V1069 HydrophobicContact CG1-CG1 4.39Å; V971-V1069 HydrophobicContact CG2-CB 4.21Å; V971-Y1071 HydrophobicContact CG1-CD2 4.11Å; V971-Y1071 HydrophobicContact CG1-CE2 4.21Å |
| 972 | V | 94.4 | Very high | 79.6 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 133.1 | -177.5 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | L1011 V1013 L1056 I1067 V1069 A1070 Y1071 Y1080 | V972-L1011 CarbonylContact C-O 3.6Å; V972-L1011 WeakPolarHBondContact CA-O 3.34Å; V972-L1011 HydrophobicContact CG2-CB 4.19Å; V972-L1011 HydrophobicContact CG2-CD1 4.06Å; V972-V1013 HydrophobicContact CG1-CG2 4.05Å; V972-L1056 HydrophobicContact CG1-CD1 4Å; V972-L1056 HydrophobicContact CG1-CD2 4.32Å; V972-L1056 HydrophobicContact CG2-CD2 3.93Å; V972-I1067 HydrophobicContact CB-CG2 4.47Å; V972-I1067 HydrophobicContact CG2-CD1 4Å; V972-I1067 HydrophobicContact CG2-CG1 4.07Å; V972-I1067 HydrophobicContact CG2-CG2 3.74Å; V972-V1069 PolarHBondContact N-O 3.44Å; V972-A1070 HydrophobicContact CB-CB 4.31Å; V972-A1070 CarbonylContact O-C 3.55Å; V972-A1070 WeakPolarHBondContact O-CA 3.42Å; V972-Y1071 PolarHBondContact O-N 3.36Å; V972-Y1080 HydrophobicContact CG1-CE1 4.12Å |
| 973 | F | 93.5 | Very high | 77.6 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 117.6 | 170.9 | -69.1 | -90.9 | 0 | 0 | 0 | 110.7 | V971 I975 F979 V999 A1000 W1003 I1010 L1011 Y1012 V1013 Y1071 | V971-F973 HydrophobicContact CB-CE2 4.24Å; V971-F973 HydrophobicContact CG1-CD2 4.09Å; V971-F973 HydrophobicContact CG1-CE2 3.42Å; V971-F973 VanDerWaalsContact CG1-CE2 3.42Å; V971-F973 HydrophobicContact CG1-CZ 3.86Å; F973-I975 PolarHBondContact O-N 3.13Å; F973-F979 HydrophobicContact CB-CE1 4.35Å; F973-F979 HydrophobicContact CB-CE2 3.74Å; F973-F979 HydrophobicContact CB-CZ 3.45Å; F973-F979 VanDerWaalsContact CB-CZ 3.45Å; F973-F979 AromaticContact CD1-CE1 3.48Å; F973-F979 HydrophobicContact CD1-CE1 3.48Å; F973-F979 VanDerWaalsContact CD1-CE1 3.48Å; F973-F979 HydrophobicContact CD1-CE2 4.36Å; F973-F979 AromaticContact CD1-CZ 3.28Å; F973-F979 HydrophobicContact CD1-CZ 3.28Å; F973-F979 HydrophobicContact CD2-CZ 4.39Å; F973-F979 HydrophobicContact CE1-CE1 4.06Å; F973-F979 HydrophobicContact CE1-CZ 4.1Å; F973-F979 HydrophobicContact CG-CE1 4.15Å; F973-F979 HydrophobicContact CG-CE2 4.25Å; F973-F979 AromaticContact CG-CZ 3.46Å; F973-F979 HydrophobicContact CG-CZ 3.46Å; F973-F979 VanDerWaalsContact CG-CZ 3.46Å; F973-V999 HydrophobicContact CE1-CG1 4.27Å; F973-V999 HydrophobicContact CZ-CG1 4.45Å; F973-A1000 HydrophobicContact CE1-CB 4.43Å; F973-A1000 HydrophobicContact CE2-CB 4.21Å; F973-A1000 HydrophobicContact CZ-CB 4.04Å; F973-W1003 AromaticContact CZ-CD1 3.89Å; F973-I1010 HydrophobicContact CD2-CG2 3.87Å; F973-I1010 HydrophobicContact CE2-CD1 4.19Å; F973-I1010 HydrophobicContact CE2-CG2 4.15Å; F973-L1011 PolarHBondContact N-O 3.34Å; F973-Y1012 HydrophobicContact CB-CD1 3.95Å; F973-Y1012 HydrophobicContact CB-CE1 4.24Å; F973-Y1012 HydrophobicContact CD2-CE1 4.5Å; F973-Y1012 WeakPolarHBondContact O-CA 3.46Å; F973-V1013 PolarHBondContact O-N 3.1Å; F973-Y1071 VanDerWaalsContact CD1-CB 3.48Å; F973-Y1071 AromaticContact CD1-CD2 3.94Å; F973-Y1071 HydrophobicContact CD1-CD2 3.94Å; F973-Y1071 AromaticContact CD1-CG 3.78Å; F973-Y1071 HydrophobicContact CD1-CG 3.78Å; F973-Y1071 HydrophobicContact CE1-CD1 4.16Å; F973-Y1071 AromaticContact CE1-CD2 3.41Å; F973-Y1071 HydrophobicContact CE1-CD2 3.41Å; F973-Y1071 VanDerWaalsContact CE1-CD2 3.41Å; F973-Y1071 AromaticContact CE1-CE2 3.96Å; F973-Y1071 HydrophobicContact CE1-CE2 3.96Å; F973-Y1071 AromaticContact CE1-CG 3.52Å; F973-Y1071 HydrophobicContact CE1-CG 3.52Å; F973-Y1071 HydrophobicContact CE2-CD2 4.48Å; F973-Y1071 AromaticContact CZ-CD2 3.73Å; F973-Y1071 HydrophobicContact CZ-CD2 3.73Å; F973-Y1071 AromaticContact CZ-CE2 4Å; F973-Y1071 HydrophobicContact CZ-CE2 4Å; F973-Y1071 HydrophobicContact CZ-CG 4.3Å |
| 974 | S | 90.9 | Very high | 75.5 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 121.4 | 167.7 | 177.5 | 0 | 0 | 0 | 0 | 109.4 | D976 S978 V1013 K1052 Y1071 D1076 Y1080 | S974-D976 VanDerWaalsContact C-N 3.3Å; S974-D976 PolarHBondContact O-N 3.4Å; S974-S978 WeakPolarHBondContact O-CB 3.41Å; S974-S978 PolarHBondContact O-OG 3.21Å; S974-V1013 WeakPolarHBondContact CA-O 3.37Å; S974-K1052 PolarHBondContact OG-NZ 3.4Å; S974-Y1071 PolarHBondContact N-O 3.14Å; S974-D1076 PolarHBondContact OG-OD1 3.09Å; S974-D1076 PolarHBondContact OG-OD2 3.26Å; S974-Y1080 WeakPolarHBondContact CB-OH 3.44Å |
| 975 | I | 86.2 | Confident | 73.2 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | trans | -69.5 | -34 | 179.1 | -57.7 | -179.7 | 0 | 0 | 0 | 110.8 | F973 G977 F979 V1013 V1024 L1028 L1038 | F973-I975 PolarHBondContact O-N 3.13Å; I975-G977 PolarHBondContact O-N 3.4Å; I975-F979 HydrophobicContact CG1-CD2 4.47Å; I975-V1013 PolarHBondContact N-O 3.33Å; I975-V1024 HydrophobicContact CD1-CG1 3.42Å; I975-V1024 VanDerWaalsContact CD1-CG1 3.42Å; I975-V1024 HydrophobicContact CG2-CG1 4.32Å; I975-L1028 HydrophobicContact CD1-CD1 4.04Å; I975-L1038 HydrophobicContact CD1-CD1 3.65Å | ||
| 976 | D | 76.9 | Confident | 71.1 | Confident | 33 Ų | 33 | 43.2 Ų | 43.2 | 18% | 0.176 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 109.2 | -173.9 | -58.6 | -59.1 | 0 | 0 | 0 | 111.8 | S974 S978 A1015 R1016 K1052 | S974-D976 VanDerWaalsContact C-N 3.3Å; S974-D976 PolarHBondContact O-N 3.4Å; D976-S978 PolarHBondContact O-N 3.36Å; D976-A1015 PolarHBondContact OD2-N 3.14Å; D976-R1016 WeakPolarHBondContact OD1-CG 3.33Å; D976-R1016 IonicContact OD1-NE 3.9Å; D976-R1016 PolarHBondContact OD1-NE 2.76Å; D976-K1052 WeakPolarHBondContact OD2-CE 3.41Å; D976-K1052 IonicContact OD2-NZ 2.58Å; D976-K1052 PolarHBondContact OD2-NZ 3.12Å |
| 977 | G | 67 | Low | 69.1 | Low | 34 Ų | 34 | 42.4 Ų | 42.4 | 35% | 0.351 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | -19.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | I975 | I975-G977 PolarHBondContact O-N 3.4Š|
| 978 | S | 66.9 | Low | 67.3 | Low | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -45 | 178.3 | -25.4 | 0 | 0 | 0 | 0 | 112.6 | S974 D976 R993 G1072 S1073 Y1111 | S974-S978 WeakPolarHBondContact O-CB 3.41Å; S974-S978 PolarHBondContact O-OG 3.21Å; D976-S978 PolarHBondContact O-N 3.36Å; S978-R993 WeakPolarHBondContact O-CD 3.23Å; S978-G1072 VanDerWaalsContact OG-C 3.27Å; S978-G1072 VanDerWaalsContact OG-CA 3.23Å; S978-G1072 WeakPolarHBondContact OG-CA 3.43Å; S978-S1073 PolarHBondContact OG-N 2.98Å; S978-Y1111 WeakPolarHBondContact O-CE2 3.31Å; S978-Y1111 PolarHBondContact O-OH 3.2Å |
| 979 | F | 74.8 | Confident | 65.7 | Low | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -34.9 | 177 | -64.9 | -39.1 | 0 | 0 | 0 | 114.1 | F973 I975 R993 A996 Y1012 W1027 F1033 | F973-F979 HydrophobicContact CB-CE1 4.35Å; F973-F979 HydrophobicContact CB-CE2 3.74Å; F973-F979 HydrophobicContact CB-CZ 3.45Å; F973-F979 VanDerWaalsContact CB-CZ 3.45Å; F973-F979 AromaticContact CD1-CE1 3.48Å; F973-F979 HydrophobicContact CD1-CE1 3.48Å; F973-F979 VanDerWaalsContact CD1-CE1 3.48Å; F973-F979 HydrophobicContact CD1-CE2 4.36Å; F973-F979 AromaticContact CD1-CZ 3.28Å; F973-F979 HydrophobicContact CD1-CZ 3.28Å; F973-F979 HydrophobicContact CD2-CZ 4.39Å; F973-F979 HydrophobicContact CE1-CE1 4.06Å; F973-F979 HydrophobicContact CE1-CZ 4.1Å; F973-F979 HydrophobicContact CG-CE1 4.15Å; F973-F979 HydrophobicContact CG-CE2 4.25Å; F973-F979 AromaticContact CG-CZ 3.46Å; F973-F979 HydrophobicContact CG-CZ 3.46Å; F973-F979 VanDerWaalsContact CG-CZ 3.46Å; I975-F979 HydrophobicContact CG1-CD2 4.47Å; F979-R993 PolarHBondContact O-N 3.17Å; F979-A996 HydrophobicContact CD1-CB 3.93Å; F979-A996 HydrophobicContact CE1-CB 4.46Å; F979-Y1012 AromaticContact CE2-CD1 3.77Å; F979-Y1012 HydrophobicContact CE2-CD1 3.77Å; F979-Y1012 AromaticContact CE2-CE1 3.6Å; F979-Y1012 HydrophobicContact CE2-CE1 3.6Å; F979-Y1012 HydrophobicContact CZ-CD1 4.37Å; F979-Y1012 AromaticContact CZ-CE1 3.91Å; F979-Y1012 HydrophobicContact CZ-CE1 3.91Å; F979-W1027 HydrophobicContact CB-CH2 3.73Å; F979-W1027 HydrophobicContact CB-CZ3 4.09Å; F979-F1033 HydrophobicContact CB-CE1 4.46Å; F979-F1033 HydrophobicContact CB-CZ 4.03Å; F979-F1033 AromaticContact CD1-CE1 3.74Å; F979-F1033 HydrophobicContact CD1-CE1 3.74Å; F979-F1033 HydrophobicContact CD1-CZ 4.08Å; F979-F1033 HydrophobicContact CD2-CD1 4.42Å; F979-F1033 AromaticContact CD2-CE1 3.71Å; F979-F1033 HydrophobicContact CD2-CE1 3.71Å; F979-F1033 AromaticContact CD2-CZ 3.99Å; F979-F1033 HydrophobicContact CD2-CZ 3.99Å; F979-F1033 AromaticContact CE1-CE1 3.66Å; F979-F1033 HydrophobicContact CE1-CE1 3.66Å; F979-F1033 HydrophobicContact CE1-CZ 4.46Å; F979-F1033 HydrophobicContact CE2-CD1 4.03Å; F979-F1033 AromaticContact CE2-CE1 3.64Å; F979-F1033 HydrophobicContact CE2-CE1 3.64Å; F979-F1033 HydrophobicContact CE2-CZ 4.37Å; F979-F1033 AromaticContact CG-CE1 3.75Å; F979-F1033 HydrophobicContact CG-CE1 3.75Å; F979-F1033 AromaticContact CG-CZ 3.81Å; F979-F1033 HydrophobicContact CG-CZ 3.81Å; F979-F1033 HydrophobicContact CZ-CD1 4.06Å; F979-F1033 AromaticContact CZ-CE1 3.59Å; F979-F1033 HydrophobicContact CZ-CE1 3.59Å |
| 980 | S | 61.3 | Low | 64.3 | Low | 13 Ų | 13 | 50.2 Ų | 50.2 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -90.4 | 127 | -179.8 | 45.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 981 | A | 43.9 | Very low | 63 | Low | 51 Ų | 51 | 58 Ų | 58 | 42% | 0.421 | 33% | 0.331 | S | S | . | . | trans | -75.5 | -24.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K991 R993 | A981-K991 PolarHBondContact N-O 2.67Å; A981-K991 VanDerWaalsContact N-O 3.1Å; A981-R993 HydrophobicContact CB-CG 4.04Å | ||
| 982 | S | 35.5 | Very low | 62.2 | Low | 59 Ų | 59 | 59.3 Ų | 59.3 | 41% | 0.413 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -169.4 | 153.9 | -173.5 | 65.1 | 0 | 0 | 0 | 0 | 114 | ||
| 983 | M | 42.2 | Very low | 61.6 | Low | 151 Ų | 151 | 62.4 Ų | 62.4 | 74% | 0.744 | 35% | 0.35 | S | S | * | . | trans | 63.2 | 163.9 | 143 | -58.8 | -109.3 | 72.4 | 0 | 0 | 118.1 | ||||
| 984 | S | 42.2 | Very low | 61 | Low | 39 Ų | 39 | 67 Ų | 67 | 27% | 0.273 | 38% | 0.38 | S | S | . | . | cis | -144.1 | 156.2 | -22.7 | 58.9 | 0 | 0 | 0 | 0 | 105.9 | T986 | S984-T986 WeakPolarHBondContact CB-OG1 3.42Å; S984-T986 PolarHBondContact O-N 3.48Å; S984-T986 PolarHBondContact OG-N 3.1Å; S984-T986 PolarHBondContact OG-OG1 3.14Å | ||
| 985 | L | 35.3 | Very low | 60.7 | Low | 168 Ų | 168 | 68 Ų | 68 | 88% | 0.88 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -7.9 | 167.3 | -92.8 | 130.8 | 0 | 0 | 0 | 112.9 | ||
| 986 | T | 41.2 | Very low | 60.8 | Low | 119 Ų | 119 | 67.8 Ų | 67.8 | 73% | 0.73 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | 27.2 | -163 | 65.7 | 0 | 0 | 0 | 0 | 113.9 | S984 R988 | S984-T986 WeakPolarHBondContact CB-OG1 3.42Å; S984-T986 PolarHBondContact O-N 3.48Å; S984-T986 PolarHBondContact OG-N 3.1Å; S984-T986 PolarHBondContact OG-OG1 3.14Å; T986-R988 PolarHBondContact O-N 3.08Å |
| 987 | G | 42.2 | Very low | 61.4 | Low | 78 Ų | 78 | 66.7 Ų | 66.7 | 80% | 0.804 | 38% | 0.382 | S | S | * | . | S | Bend | trans | 78.6 | 17.4 | 164 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 988 | R | 48.6 | Very low | 62.3 | Low | 209 Ų | 209 | 66.4 Ų | 66.4 | 79% | 0.789 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -90.9 | 137.3 | 166.1 | -70.4 | -172.2 | -178.3 | 178.1 | -1.2 | 110.3 | T986 P990 | T986-R988 PolarHBondContact O-N 3.08Å; R988-P990 WeakPolarHBondContact O-CD 3.43Å |
| 989 | N | 56.2 | Low | 63.5 | Low | 73 Ų | 73 | 66.4 Ų | 66.4 | 39% | 0.39 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 116.3 | 178.2 | -163.5 | -15.7 | 0 | 0 | 0 | 110.1 | K991 W1027 E1030 | N989-K991 PolarHBondContact O-N 3.47Å; N989-W1027 PolarHBondContact OD1-NE1 2.62Å; N989-E1030 PolarHBondContact ND2-OE1 3.22Å; N989-E1030 PolarHBondContact ND2-OE2 3.47Å |
| 990 | P | 63.6 | Low | 64.2 | Low | 24 Ų | 24 | 66.4 Ų | 66.4 | 16% | 0.156 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 128 | -177.2 | 22.1 | -27.6 | 0 | 0 | 0 | 110.7 | R988 V992 W1027 | R988-P990 WeakPolarHBondContact O-CD 3.43Å; P990-V992 PolarHBondContact O-N 2.72Å; P990-W1027 PolarHBondContact O-NE1 2.86Å |
| 991 | K | 66 | Low | 65.5 | Low | 163 Ų | 163 | 68.5 Ų | 68.5 | 71% | 0.709 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 131.6 | 179.2 | -64 | -171 | 177.8 | -169.8 | 0 | 111.2 | A981 N989 | A981-K991 PolarHBondContact N-O 2.67Å; A981-K991 VanDerWaalsContact N-O 3.1Å; N989-K991 PolarHBondContact O-N 3.47Å |
| 992 | V | 78.3 | Confident | 67.8 | Low | 27 Ų | 27 | 67.7 Ų | 67.7 | 16% | 0.164 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -71.6 | 139.3 | 170.6 | -178.6 | 0 | 0 | 0 | 0 | 110 | P990 A996 V997 W1027 H1031 F1033 | P990-V992 PolarHBondContact O-N 2.72Å; V992-A996 HydrophobicContact CG1-CB 4.04Å; V992-V997 HydrophobicContact CG1-CG2 3.95Å; V992-W1027 HydrophobicContact CB-CZ2 4.37Å; V992-W1027 HydrophobicContact CG2-CH2 3.73Å; V992-W1027 HydrophobicContact CG2-CZ2 3.34Å; V992-H1031 HydrophobicContact CG2-CB 3.71Å; V992-H1031 WeakPolarHBondContact CG2-CD2 3.45Å; V992-H1031 WeakPolarHBondContact CG2-ND1 3.03Å; V992-F1033 HydrophobicContact CG1-CE2 4.25Å; V992-F1033 HydrophobicContact CG1-CZ 4.01Å; V992-F1033 HydrophobicContact CG2-CE2 4.13Å |
| 993 | R | 81 | Confident | 70.5 | Confident | 66 Ų | 66 | 64.9 Ų | 64.9 | 25% | 0.249 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 136.9 | 171 | -69.1 | -178.7 | -176.3 | -80.6 | -2.6 | 110.7 | S978 F979 A981 A995 A996 I1093 Y1111 | S978-R993 WeakPolarHBondContact O-CD 3.23Å; F979-R993 PolarHBondContact O-N 3.17Å; A981-R993 HydrophobicContact CB-CG 4.04Å; R993-A995 PolarHBondContact O-N 3.01Å; R993-A996 HydrophobicContact CB-CB 4.21Å; R993-A996 WeakPolarHBondContact O-CB 3.41Å; R993-A996 PolarHBondContact O-N 3.08Å; R993-A996 VanDerWaalsContact O-N 3.11Å; R993-I1093 VanDerWaalsContact CD-CD1 3.48Å; R993-Y1111 HydrophobicContact CB-CD2 3.96Å; R993-Y1111 HydrophobicContact CB-CE2 4.25Å |
| 994 | P | 81.5 | Confident | 72.7 | Confident | 97 Ų | 97 | 58.7 Ų | 58.7 | 63% | 0.63 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | 138.9 | 176.6 | -26.6 | 34.1 | 0 | 0 | 0 | 112 | A996 Y1111 | P994-A996 PolarHBondContact O-N 3.36Å; P994-Y1111 WeakPolarHBondContact O-CB 3.29Å |
| 995 | A | 84.9 | Confident | 74.7 | Confident | 20 Ų | 20 | 61.5 Ų | 61.5 | 17% | 0.165 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 1.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | R993 V997 D998 V999 L1115 | R993-A995 PolarHBondContact O-N 3.01Å; A995-V997 VanDerWaalsContact C-N 3.3Å; A995-V997 PolarHBondContact O-N 2.83Å; A995-D998 PolarHBondContact O-N 3.46Å; A995-D998 VanDerWaalsContact O-N 3.16Å; A995-V999 WeakPolarHBondContact O-CG2 3.47Å; A995-V999 PolarHBondContact O-N 3.06Å; A995-L1115 HydrophobicContact CB-CD2 4.12Å |
| 996 | A | 88.4 | Confident | 77.2 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.7 | -42.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F979 V992 R993 P994 D998 V999 A1000 Y1111 | F979-A996 HydrophobicContact CD1-CB 3.93Å; F979-A996 HydrophobicContact CE1-CB 4.46Å; V992-A996 HydrophobicContact CG1-CB 4.04Å; R993-A996 HydrophobicContact CB-CB 4.21Å; R993-A996 WeakPolarHBondContact O-CB 3.41Å; R993-A996 PolarHBondContact O-N 3.08Å; R993-A996 VanDerWaalsContact O-N 3.11Å; P994-A996 PolarHBondContact O-N 3.36Å; A996-D998 VanDerWaalsContact C-N 3.3Å; A996-D998 PolarHBondContact O-N 3.06Å; A996-V999 PolarHBondContact O-N 2.83Å; A996-A1000 PolarHBondContact O-N 3.29Å; A996-Y1111 HydrophobicContact CB-CD2 3.56Å; A996-Y1111 HydrophobicContact CB-CE2 3.74Å; A996-Y1111 HydrophobicContact CB-CG 4.36Å |
| 997 | V | 87.7 | Confident | 79.4 | Confident | 10 Ų | 10 | 50 Ų | 50 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 177.9 | -166.5 | 0 | 0 | 0 | 0 | 110.8 | V992 A995 A1000 R1001 N1032 F1033 | V992-V997 HydrophobicContact CG1-CG2 3.95Å; A995-V997 VanDerWaalsContact C-N 3.3Å; A995-V997 PolarHBondContact O-N 2.83Å; V997-A1000 PolarHBondContact O-N 3.32Å; V997-R1001 VanDerWaalsContact CG1-NH2 3.29Å; V997-R1001 PolarHBondContact O-N 3Å; V997-N1032 WeakPolarHBondContact CG1-O 3.13Å; V997-F1033 HydrophobicContact CG1-CD1 4.48Å; V997-F1033 HydrophobicContact CG1-CG 4.42Å; V997-F1033 HydrophobicContact CG2-CD2 4.27Å; V997-F1033 HydrophobicContact CG2-CE1 4.17Å; V997-F1033 HydrophobicContact CG2-CE2 3.9Å; V997-F1033 HydrophobicContact CG2-CZ 3.84Å |
| 998 | D | 86.4 | Confident | 81.8 | Confident | 28 Ų | 28 | 46.3 Ų | 46.3 | 15% | 0.15 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.2 | -31.1 | -177.7 | -58.5 | -44.5 | 0 | 0 | 0 | 112.5 | A995 A996 R1001 F1002 L1115 | A995-D998 PolarHBondContact O-N 3.46Å; A995-D998 VanDerWaalsContact O-N 3.16Å; A996-D998 VanDerWaalsContact C-N 3.3Å; A996-D998 PolarHBondContact O-N 3.06Å; D998-R1001 PolarHBondContact O-N 3.39Å; D998-R1001 IonicContact OD1-NH1 2.72Å; D998-R1001 PolarHBondContact OD1-NH1 2.95Å; D998-F1002 WeakPolarHBondContact O-CB 3.23Å; D998-F1002 PolarHBondContact O-N 2.81Å; D998-L1115 HydrophobicContact CB-CD1 4.48Å; D998-L1115 HydrophobicContact CB-CD2 3.56Å |
| 999 | V | 91.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.6 | -44.7 | 170 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | F973 A995 A996 R1001 F1002 W1003 Y1071 Y1111 L1115 L1118 | F973-V999 HydrophobicContact CE1-CG1 4.27Å; F973-V999 HydrophobicContact CZ-CG1 4.45Å; A995-V999 WeakPolarHBondContact O-CG2 3.47Å; A995-V999 PolarHBondContact O-N 3.06Å; A996-V999 PolarHBondContact O-N 2.83Å; V999-R1001 VanDerWaalsContact C-N 3.32Å; V999-R1001 PolarHBondContact O-N 2.87Å; V999-F1002 WeakPolarHBondContact O-CB 3.32Å; V999-F1002 PolarHBondContact O-N 2.77Å; V999-W1003 PolarHBondContact O-N 2.82Å; V999-Y1071 HydrophobicContact CG1-CE1 3.88Å; V999-Y1071 HydrophobicContact CG1-CE2 4.43Å; V999-Y1111 HydrophobicContact CB-CD1 4.37Å; V999-Y1111 HydrophobicContact CG1-CD1 4.42Å; V999-Y1111 HydrophobicContact CG2-CD1 3.93Å; V999-Y1111 HydrophobicContact CG2-CG 4.3Å; V999-L1115 HydrophobicContact CG2-CB 3.94Å; V999-L1115 HydrophobicContact CG2-CD1 4.14Å; V999-L1118 HydrophobicContact CG1-CD1 4.27Å |
| 1000 | A | 90.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F973 A996 V997 W1003 Q1004 F1033 P1034 | F973-A1000 HydrophobicContact CE1-CB 4.43Å; F973-A1000 HydrophobicContact CE2-CB 4.21Å; F973-A1000 HydrophobicContact CZ-CB 4.04Å; A996-A1000 PolarHBondContact O-N 3.29Å; V997-A1000 PolarHBondContact O-N 3.32Å; A1000-W1003 PolarHBondContact O-N 2.79Å; A1000-Q1004 PolarHBondContact O-N 3.24Å; A1000-Q1004 VanDerWaalsContact O-N 3.09Å; A1000-F1033 HydrophobicContact CB-CD1 4.44Å; A1000-P1034 HydrophobicContact CB-CG 3.61Å |
| 1001 | R | 88.2 | Confident | 86.9 | Confident | 57 Ų | 57 | 32 Ų | 32 | 22% | 0.215 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.1 | -39.9 | 175.9 | -75 | -178.1 | -162.9 | 123.2 | -5 | 112.7 | V997 D998 V999 W1003 Q1004 D1005 N1032 P1034 | V997-R1001 VanDerWaalsContact CG1-NH2 3.29Å; V997-R1001 PolarHBondContact O-N 3Å; D998-R1001 PolarHBondContact O-N 3.39Å; D998-R1001 IonicContact OD1-NH1 2.72Å; D998-R1001 PolarHBondContact OD1-NH1 2.95Å; V999-R1001 VanDerWaalsContact C-N 3.32Å; V999-R1001 PolarHBondContact O-N 2.87Å; R1001-W1003 VanDerWaalsContact C-N 3.29Å; R1001-W1003 PolarHBondContact O-N 2.88Å; R1001-Q1004 CarbonylContact O-C 3.53Å; R1001-Q1004 WeakPolarHBondContact O-CB 3.43Å; R1001-Q1004 PolarHBondContact O-N 2.92Å; R1001-Q1004 VanDerWaalsContact O-N 3.11Å; R1001-D1005 WeakPolarHBondContact O-CB 3.37Å; R1001-D1005 PolarHBondContact O-N 2.88Å; R1001-N1032 VanDerWaalsContact NH2-CB 3.26Å; R1001-N1032 PolarHBondContact NH2-O 2.86Å; R1001-P1034 HydrophobicContact CG-CB 4.04Å; R1001-P1034 HydrophobicContact CG-CG 3.96Å |
| 1002 | F | 91 | Very high | 88.2 | Confident | 34 Ų | 34 | 24.4 Ų | 24.4 | 15% | 0.149 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -55.1 | -45.1 | 176.7 | 172.3 | -93.1 | 0 | 0 | 0 | 111.9 | D998 V999 D1005 L1006 L1115 L1118 R1119 T1127 | D998-F1002 WeakPolarHBondContact O-CB 3.23Å; D998-F1002 PolarHBondContact O-N 2.81Å; V999-F1002 WeakPolarHBondContact O-CB 3.32Å; V999-F1002 PolarHBondContact O-N 2.77Å; F1002-D1005 PolarHBondContact O-N 2.84Å; F1002-L1006 HydrophobicContact CD1-CD1 4.2Å; F1002-L1006 HydrophobicContact CE1-CD1 3.53Å; F1002-L1006 HydrophobicContact CE1-CG 4.46Å; F1002-L1006 HydrophobicContact CZ-CD1 3.74Å; F1002-L1006 HydrophobicContact CZ-CG 4.47Å; F1002-L1006 PolarHBondContact O-N 2.82Å; F1002-L1006 VanDerWaalsContact O-N 3.14Å; F1002-L1115 HydrophobicContact CB-CD1 4.14Å; F1002-L1118 HydrophobicContact CD1-CB 4.23Å; F1002-L1118 HydrophobicContact CD1-CD1 3.94Å; F1002-L1118 HydrophobicContact CE1-CB 3.79Å; F1002-L1118 HydrophobicContact CE1-CD1 4.11Å; F1002-L1118 HydrophobicContact CE1-CD2 4.32Å; F1002-L1118 HydrophobicContact CE1-CG 4.3Å; F1002-L1118 HydrophobicContact CE2-CB 4.33Å; F1002-L1118 HydrophobicContact CZ-CB 3.84Å; F1002-R1119 HydrophobicContact CD2-CG 4.39Å; F1002-R1119 HydrophobicContact CE2-CG 4.39Å; F1002-T1127 HydrophobicContact CE1-CG2 4.1Å; F1002-T1127 HydrophobicContact CZ-CG2 4.19Å |
| 1003 | W | 92.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69 | -39.2 | 176 | -71 | 108.5 | 0 | 0 | 0 | 112.8 | V971 F973 V999 A1000 R1001 D1005 L1006 G1007 Y1008 I1010 V1069 Y1071 L1118 V1126 T1127 | V971-W1003 HydrophobicContact CB-CB 4.39Å; V971-W1003 HydrophobicContact CB-CG 4.48Å; V971-W1003 HydrophobicContact CG1-CB 4.43Å; V971-W1003 HydrophobicContact CG1-CG 4.13Å; V971-W1003 HydrophobicContact CG2-CB 4.05Å; V971-W1003 HydrophobicContact CG2-CD2 3.98Å; V971-W1003 HydrophobicContact CG2-CE3 3.94Å; V971-W1003 HydrophobicContact CG2-CG 4.03Å; F973-W1003 AromaticContact CZ-CD1 3.89Å; V999-W1003 PolarHBondContact O-N 2.82Å; A1000-W1003 PolarHBondContact O-N 2.79Å; R1001-W1003 VanDerWaalsContact C-N 3.29Å; R1001-W1003 PolarHBondContact O-N 2.88Å; W1003-D1005 VanDerWaalsContact C-N 3.25Å; W1003-D1005 PolarHBondContact O-N 3.01Å; W1003-L1006 HydrophobicContact CE3-CD1 4.05Å; W1003-L1006 HydrophobicContact CZ3-CD1 4.09Å; W1003-L1006 PolarHBondContact O-N 2.7Å; W1003-G1007 PolarHBondContact O-N 2.92Å; W1003-Y1008 AromaticContact CE3-CD2 3.75Å; W1003-Y1008 HydrophobicContact CE3-CD2 3.75Å; W1003-Y1008 AromaticContact CE3-CE2 3.73Å; W1003-Y1008 HydrophobicContact CE3-CE2 3.73Å; W1003-Y1008 HydrophobicContact CE3-CG 4.42Å; W1003-Y1008 HydrophobicContact CZ3-CD2 4.37Å; W1003-Y1008 AromaticContact CZ3-CE2 3.89Å; W1003-Y1008 HydrophobicContact CZ3-CE2 3.89Å; W1003-Y1008 WeakPolarHBondContact O-CD2 3.43Å; W1003-Y1008 PolarHBondContact O-N 3.48Å; W1003-I1010 HydrophobicContact CB-CD1 4Å; W1003-V1069 HydrophobicContact CH2-CG2 3.87Å; W1003-V1069 HydrophobicContact CZ2-CG1 4.23Å; W1003-V1069 HydrophobicContact CZ2-CG2 4.18Å; W1003-V1069 HydrophobicContact CZ3-CG2 4.25Å; W1003-Y1071 AromaticContact CD1-CE2 3.92Å; W1003-Y1071 AromaticContact NE1-CE2 3.31Å; W1003-Y1071 VanDerWaalsContact NE1-CE2 3.31Å; W1003-Y1071 AromaticContact NE1-CZ 3.47Å; W1003-Y1071 PolarHBondContact NE1-OH 2.86Å; W1003-L1118 HydrophobicContact CZ2-CD2 4.09Å; W1003-V1126 HydrophobicContact CH2-CG1 4.07Å; W1003-T1127 HydrophobicContact CH2-CG2 4.24Å |
| 1004 | Q | 88.6 | Confident | 89 | Confident | 21 Ų | 21 | 20.1 Ų | 20.1 | 10% | 0.098 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.3 | -41.1 | 173.1 | -171.4 | -173.8 | 43 | 0 | 0 | 110.7 | A1000 R1001 L1006 G1007 I1010 P1034 V1138 R1142 | A1000-Q1004 PolarHBondContact O-N 3.24Å; A1000-Q1004 VanDerWaalsContact O-N 3.09Å; R1001-Q1004 CarbonylContact O-C 3.53Å; R1001-Q1004 WeakPolarHBondContact O-CB 3.43Å; R1001-Q1004 PolarHBondContact O-N 2.92Å; R1001-Q1004 VanDerWaalsContact O-N 3.11Å; Q1004-L1006 VanDerWaalsContact C-N 3.32Å; Q1004-L1006 PolarHBondContact O-N 3.32Å; Q1004-G1007 WeakPolarHBondContact O-CA 3.21Å; Q1004-G1007 PolarHBondContact O-N 3.21Å; Q1004-I1010 HydrophobicContact CB-CD1 4.3Å; Q1004-I1010 HydrophobicContact CB-CG1 4.12Å; Q1004-P1034 HydrophobicContact CB-CB 4.33Å; Q1004-P1034 VanDerWaalsContact CD-CB 3.48Å; Q1004-P1034 HydrophobicContact CG-CB 4.46Å; Q1004-V1138 HydrophobicContact CG-CG1 4.21Å; Q1004-R1142 PolarHBondContact O-NH2 3.38Å |
| 1005 | D | 84.9 | Confident | 89 | Confident | 98 Ų | 98 | 16.1 Ų | 16.1 | 52% | 0.524 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -64.1 | -33.8 | 179.5 | -78.4 | -25.5 | 0 | 0 | 0 | 112.9 | R1001 F1002 W1003 G1007 R1142 | R1001-D1005 WeakPolarHBondContact O-CB 3.37Å; R1001-D1005 PolarHBondContact O-N 2.88Å; F1002-D1005 PolarHBondContact O-N 2.84Å; W1003-D1005 VanDerWaalsContact C-N 3.25Å; W1003-D1005 PolarHBondContact O-N 3.01Å; D1005-G1007 PolarHBondContact O-N 2.88Å; D1005-R1142 PolarHBondContact O-NH2 2.89Å; D1005-R1142 IonicContact OD1-CZ 3.58Å; D1005-R1142 IonicContact OD1-NH1 3.1Å; D1005-R1142 PolarHBondContact OD1-NH1 3.04Å |
| 1006 | L | 88.6 | Confident | 88.7 | Confident | 40 Ų | 40 | 18.3 Ų | 18.3 | 21% | 0.209 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -4 | 171 | -70.3 | 177.4 | 0 | 0 | 0 | 114.1 | F1002 W1003 Q1004 Y1008 P1129 A1130 | F1002-L1006 HydrophobicContact CD1-CD1 4.2Å; F1002-L1006 HydrophobicContact CE1-CD1 3.53Å; F1002-L1006 HydrophobicContact CE1-CG 4.46Å; F1002-L1006 HydrophobicContact CZ-CD1 3.74Å; F1002-L1006 HydrophobicContact CZ-CG 4.47Å; F1002-L1006 PolarHBondContact O-N 2.82Å; F1002-L1006 VanDerWaalsContact O-N 3.14Å; W1003-L1006 HydrophobicContact CE3-CD1 4.05Å; W1003-L1006 HydrophobicContact CZ3-CD1 4.09Å; W1003-L1006 PolarHBondContact O-N 2.7Å; Q1004-L1006 VanDerWaalsContact C-N 3.32Å; Q1004-L1006 PolarHBondContact O-N 3.32Å; L1006-Y1008 HydrophobicContact CB-CD2 3.77Å; L1006-Y1008 HydrophobicContact CB-CE2 3.77Å; L1006-Y1008 HydrophobicContact CD1-CE2 4.4Å; L1006-P1129 HydrophobicContact CD2-CG 4.34Å; L1006-A1130 PolarHBondContact O-N 3.31Å |
| 1007 | G | 87.5 | Confident | 88 | Confident | 5 Ų | 5 | 20.6 Ų | 20.6 | 5% | 0.052 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93 | 12.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | W1003 Q1004 D1005 A1130 | W1003-G1007 PolarHBondContact O-N 2.92Å; Q1004-G1007 WeakPolarHBondContact O-CA 3.21Å; Q1004-G1007 PolarHBondContact O-N 3.21Å; D1005-G1007 PolarHBondContact O-N 2.88Å; G1007-A1130 WeakPolarHBondContact O-CB 3.49Å |
| 1008 | Y | 92.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | P | Polyproline II helix | trans | -80.5 | 145.9 | 176.2 | -66.9 | -93 | 0 | 0 | 0 | 111.9 | E969 V971 W1003 L1006 E1068 R1128 A1130 | E969-Y1008 HydrophobicContact CB-CD1 3.8Å; E969-Y1008 HydrophobicContact CB-CE1 3.84Å; V971-Y1008 HydrophobicContact CG2-CD1 3.89Å; V971-Y1008 HydrophobicContact CG2-CD2 4.44Å; V971-Y1008 HydrophobicContact CG2-CG 3.77Å; W1003-Y1008 AromaticContact CE3-CD2 3.75Å; W1003-Y1008 HydrophobicContact CE3-CD2 3.75Å; W1003-Y1008 AromaticContact CE3-CE2 3.73Å; W1003-Y1008 HydrophobicContact CE3-CE2 3.73Å; W1003-Y1008 HydrophobicContact CE3-CG 4.42Å; W1003-Y1008 HydrophobicContact CZ3-CD2 4.37Å; W1003-Y1008 AromaticContact CZ3-CE2 3.89Å; W1003-Y1008 HydrophobicContact CZ3-CE2 3.89Å; W1003-Y1008 WeakPolarHBondContact O-CD2 3.43Å; W1003-Y1008 PolarHBondContact O-N 3.48Å; L1006-Y1008 HydrophobicContact CB-CD2 3.77Å; L1006-Y1008 HydrophobicContact CB-CE2 3.77Å; L1006-Y1008 HydrophobicContact CD1-CE2 4.4Å; Y1008-E1068 HydrophobicContact CD1-CB 4.49Å; Y1008-E1068 HydrophobicContact CE1-CB 3.92Å; Y1008-E1068 HydrophobicContact CE1-CG 4.15Å; Y1008-R1128 WeakPolarHBondContact CE2-O 3.49Å; Y1008-R1128 WeakPolarHBondContact OH-CG 3.35Å; Y1008-R1128 PolarHBondContact OH-O 3Å; Y1008-A1130 HydrophobicContact CD1-CB 3.99Å; Y1008-A1130 HydrophobicContact CD2-CB 3.98Å; Y1008-A1130 HydrophobicContact CE1-CB 4.01Å; Y1008-A1130 HydrophobicContact CE2-CB 4.01Å; Y1008-A1130 HydrophobicContact CG-CB 3.97Å |
| 1009 | L | 91.1 | Very high | 86.8 | Confident | 4 Ų | 4 | 21.9 Ų | 21.9 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 126.3 | 170.4 | -179.8 | 64.5 | 0 | 0 | 0 | 110 | L964 T968 E969 C970 V971 L1011 L1037 V1138 | L964-L1009 HydrophobicContact CD1-CD2 3.4Å; L964-L1009 HydrophobicContact CD2-CD2 4.13Å; L964-L1009 HydrophobicContact CG-CD2 4.42Å; T968-L1009 HydrophobicContact CG2-CB 4.37Å; T968-L1009 HydrophobicContact CG2-CD2 4.46Å; E969-L1009 PolarHBondContact O-N 2.87Å; E969-L1009 VanDerWaalsContact O-N 3.09Å; C970-L1009 CarbonylContact C-O 3.55Å; C970-L1009 VanDerWaalsContact CA-O 3.23Å; C970-L1009 WeakPolarHBondContact CA-O 3.44Å; V971-L1009 PolarHBondContact N-O 2.71Å; L1009-L1011 HydrophobicContact CD2-CD2 4.08Å; L1009-L1011 HydrophobicContact CG-CD2 4.1Å; L1009-L1037 HydrophobicContact CD1-CG 4.48Å; L1009-L1037 HydrophobicContact CD2-CD1 4.01Å; L1009-V1138 HydrophobicContact CB-CG2 4.08Å; L1009-V1138 HydrophobicContact CD1-CG2 4.44Å |
| 1010 | I | 92.1 | Very high | 86 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 127.8 | -179.8 | -52.4 | -55.1 | 0 | 0 | 0 | 109.8 | V971 F973 W1003 Q1004 Y1012 G1036 L1037 | V971-I1010 HydrophobicContact CB-CD1 4.33Å; F973-I1010 HydrophobicContact CD2-CG2 3.87Å; F973-I1010 HydrophobicContact CE2-CD1 4.19Å; F973-I1010 HydrophobicContact CE2-CG2 4.15Å; W1003-I1010 HydrophobicContact CB-CD1 4Å; Q1004-I1010 HydrophobicContact CB-CD1 4.3Å; Q1004-I1010 HydrophobicContact CB-CG1 4.12Å; I1010-Y1012 HydrophobicContact CG2-CD1 4.33Å; I1010-Y1012 HydrophobicContact CG2-CD2 4.42Å; I1010-Y1012 HydrophobicContact CG2-CE1 3.77Å; I1010-Y1012 HydrophobicContact CG2-CE2 3.89Å; I1010-G1036 CarbonylContact O-C 3.55Å; I1010-G1036 WeakPolarHBondContact O-CA 3.48Å; I1010-L1037 PolarHBondContact O-N 2.99Å |
| 1011 | L | 92.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 119.4 | 174.6 | -51.4 | 179.8 | 0 | 0 | 0 | 109.7 | I879 C970 V971 V972 F973 L1009 L1037 F1039 I1065 | I879-L1011 HydrophobicContact CD1-CD2 4.36Å; C970-L1011 HydrophobicContact CB-CD1 3.76Å; C970-L1011 HydrophobicContact CB-CG 4.07Å; V971-L1011 PolarHBondContact O-N 2.87Å; V972-L1011 CarbonylContact C-O 3.6Å; V972-L1011 WeakPolarHBondContact CA-O 3.34Å; V972-L1011 HydrophobicContact CG2-CB 4.19Å; V972-L1011 HydrophobicContact CG2-CD1 4.06Å; F973-L1011 PolarHBondContact N-O 3.34Å; L1009-L1011 HydrophobicContact CD2-CD2 4.08Å; L1009-L1011 HydrophobicContact CG-CD2 4.1Å; L1011-L1037 CarbonylContact C-O 3.57Å; L1011-L1037 HydrophobicContact CD2-CB 3.98Å; L1011-L1037 HydrophobicContact CD2-CD1 4.01Å; L1011-L1037 HydrophobicContact CD2-CG 4.3Å; L1011-F1039 HydrophobicContact CB-CE2 4.47Å; L1011-F1039 HydrophobicContact CD2-CE2 3.98Å; L1011-I1065 HydrophobicContact CD1-CD1 3.82Å |
| 1012 | Y | 92.2 | Very high | 84.6 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 125.4 | 174.8 | -62.6 | -63.3 | 0 | 0 | 0 | 110.4 | F973 F979 I1010 L1028 F1033 P1034 L1037 F1039 | F973-Y1012 HydrophobicContact CB-CD1 3.95Å; F973-Y1012 HydrophobicContact CB-CE1 4.24Å; F973-Y1012 HydrophobicContact CD2-CE1 4.5Å; F973-Y1012 WeakPolarHBondContact O-CA 3.46Å; F979-Y1012 AromaticContact CE2-CD1 3.77Å; F979-Y1012 HydrophobicContact CE2-CD1 3.77Å; F979-Y1012 AromaticContact CE2-CE1 3.6Å; F979-Y1012 HydrophobicContact CE2-CE1 3.6Å; F979-Y1012 HydrophobicContact CZ-CD1 4.37Å; F979-Y1012 AromaticContact CZ-CE1 3.91Å; F979-Y1012 HydrophobicContact CZ-CE1 3.91Å; I1010-Y1012 HydrophobicContact CG2-CD1 4.33Å; I1010-Y1012 HydrophobicContact CG2-CD2 4.42Å; I1010-Y1012 HydrophobicContact CG2-CE1 3.77Å; I1010-Y1012 HydrophobicContact CG2-CE2 3.89Å; Y1012-L1028 HydrophobicContact CD2-CD1 4.12Å; Y1012-L1028 HydrophobicContact CE1-CD2 4.48Å; Y1012-L1028 HydrophobicContact CE2-CD1 4.49Å; Y1012-L1028 HydrophobicContact CG-CD1 4.25Å; Y1012-F1033 HydrophobicContact CE1-CD1 4.39Å; Y1012-P1034 WeakPolarHBondContact CE2-O 3.48Å; Y1012-P1034 WeakPolarHBondContact OH-CD 3.4Å; Y1012-P1034 WeakPolarHBondContact OH-CG 3.37Å; Y1012-P1034 PolarHBondContact OH-O 3.22Å; Y1012-L1037 PolarHBondContact N-O 2.93Å; Y1012-F1039 PolarHBondContact O-N 3.27Å |
| 1013 | V | 90.5 | Very high | 83.8 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132.7 | -178 | -175.7 | 0 | 0 | 0 | 0 | 111.1 | V972 F973 S974 I975 K1052 L1056 | V972-V1013 HydrophobicContact CG1-CG2 4.05Å; F973-V1013 PolarHBondContact O-N 3.1Å; S974-V1013 WeakPolarHBondContact CA-O 3.37Å; I975-V1013 PolarHBondContact N-O 3.33Å; V1013-K1052 HydrophobicContact CG1-CB 4.05Å; V1013-K1052 HydrophobicContact CG1-CD 4Å; V1013-K1052 HydrophobicContact CG1-CG 3.76Å; V1013-L1056 HydrophobicContact CG2-CD1 4.48Å; V1013-L1056 HydrophobicContact CG2-CD2 3.92Å; V1013-L1056 HydrophobicContact CG2-CG 4.37Å |
| 1014 | S | 86.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 135.1 | -178.1 | -176.1 | 0 | 0 | 0 | 0 | 112 | R1016 F1039 F1040 | S1014-R1016 VanDerWaalsContact C-N 3.34Å; S1014-R1016 WeakPolarHBondContact OG-CB 3.26Å; S1014-R1016 PolarHBondContact OG-N 3.36Å; S1014-F1039 PolarHBondContact N-O 3.42Å; S1014-F1040 WeakPolarHBondContact OG-CE1 3.49Å |
| 1015 | A | 81.6 | Confident | 82.6 | Confident | 14 Ų | 14 | 31 Ų | 31 | 12% | 0.116 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -2.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | D976 L1048 K1052 | D976-A1015 PolarHBondContact OD2-N 3.14Å; A1015-L1048 HydrophobicContact CB-CB 4.21Å; A1015-K1052 HydrophobicContact CB-CD 3.93Å; A1015-K1052 HydrophobicContact CB-CG 4.05Å |
| 1016 | R | 76.7 | Confident | 81.8 | Confident | 65 Ų | 65 | 26.9 Ų | 26.9 | 25% | 0.245 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 153.6 | 171.8 | -68 | 163.8 | 176.4 | -123.4 | 10.2 | 109.3 | D976 S1014 D1018 Q1020 F1040 | D976-R1016 WeakPolarHBondContact OD1-CG 3.33Å; D976-R1016 IonicContact OD1-NE 3.9Å; D976-R1016 PolarHBondContact OD1-NE 2.76Å; S1014-R1016 VanDerWaalsContact C-N 3.34Å; S1014-R1016 WeakPolarHBondContact OG-CB 3.26Å; S1014-R1016 PolarHBondContact OG-N 3.36Å; R1016-D1018 PolarHBondContact O-N 3.03Å; R1016-Q1020 HydrophobicContact CB-CB 4.48Å; R1016-Q1020 VanDerWaalsContact CD-OE1 3.28Å; R1016-F1040 HydrophobicContact CB-CE1 4.02Å; R1016-F1040 WeakPolarHBondContact O-CD1 3.25Å |
| 1017 | P | 74.3 | Confident | 81.2 | Confident | 49 Ų | 49 | 25.9 Ų | 25.9 | 32% | 0.318 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.6 | 139 | 165.8 | -22.7 | 33.3 | 0 | 0 | 0 | 110.5 | W259 V1019 Q1020 | W259-P1017 HydrophobicContact CH2-CG 4.47Å; W259-P1017 HydrophobicContact CZ3-CG 4.14Å; P1017-V1019 HydrophobicContact CB-CB 4.38Å; P1017-V1019 HydrophobicContact CB-CG2 4.16Å; P1017-V1019 PolarHBondContact O-N 2.81Å; P1017-V1019 VanDerWaalsContact O-N 3.09Å; P1017-Q1020 PolarHBondContact O-N 3Å |
| 1018 | D | 77 | Confident | 80.9 | Confident | 29 Ų | 29 | 26.3 Ų | 26.3 | 16% | 0.155 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -53.9 | -24 | 174.2 | 62.9 | -13.9 | 0 | 0 | 0 | 113.2 | R874 R888 R1016 Q1020 Q1021 F1040 | R874-D1018 VanDerWaalsContact CD-C 3.48Å; R874-D1018 WeakPolarHBondContact CD-O 3.26Å; R874-D1018 IonicContact CZ-OD1 3.82Å; R874-D1018 VanDerWaalsContact CZ-OD1 3.29Å; R874-D1018 IonicContact CZ-OD2 2.62Å; R874-D1018 IonicContact NE-OD1 3.74Å; R874-D1018 PolarHBondContact NE-OD1 2.82Å; R874-D1018 IonicContact NE-OD2 3.99Å; R874-D1018 PolarHBondContact NE-OD2 3.49Å; R874-D1018 IonicContact NH2-OD1 2.86Å; R874-D1018 PolarHBondContact NH2-OD1 3.12Å; R874-D1018 IonicContact NH2-OD2 3.71Å; R874-D1018 PolarHBondContact NH2-OD2 3.39Å; R888-D1018 IonicContact NH1-OD2 3.32Å; R1016-D1018 PolarHBondContact O-N 3.03Å; D1018-Q1020 PolarHBondContact O-N 3.17Å; D1018-Q1020 VanDerWaalsContact O-N 3.09Å; D1018-Q1021 WeakPolarHBondContact O-CB 3.38Å; D1018-Q1021 PolarHBondContact O-N 3.13Å; D1018-F1040 HydrophobicContact CB-CB 4.1Å |
| 1019 | V | 71.2 | Confident | 79.7 | Confident | 35 Ų | 35 | 26.6 Ų | 26.6 | 21% | 0.212 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -50.3 | -30.7 | 168.6 | -168.5 | 0 | 0 | 0 | 0 | 113.1 | N872 D895 P1017 | N872-V1019 WeakPolarHBondContact ND2-CG1 3.29Å; D895-V1019 WeakPolarHBondContact OD2-CG2 3.49Å; P1017-V1019 HydrophobicContact CB-CB 4.38Å; P1017-V1019 HydrophobicContact CB-CG2 4.16Å; P1017-V1019 PolarHBondContact O-N 2.81Å; P1017-V1019 VanDerWaalsContact O-N 3.09Å |
| 1020 | Q | 75.6 | Confident | 78.4 | Confident | 57 Ų | 57 | 27.9 Ų | 27.9 | 27% | 0.266 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -89.5 | 2.1 | -179.6 | -62.2 | -169.5 | -9.7 | 0 | 0 | 113.6 | R1016 P1017 D1018 R1022 V1023 V1024 | R1016-Q1020 HydrophobicContact CB-CB 4.48Å; R1016-Q1020 VanDerWaalsContact CD-OE1 3.28Å; P1017-Q1020 PolarHBondContact O-N 3Å; D1018-Q1020 PolarHBondContact O-N 3.17Å; D1018-Q1020 VanDerWaalsContact O-N 3.09Å; Q1020-R1022 PolarHBondContact O-N 3.28Å; Q1020-V1023 PolarHBondContact O-N 3.14Å; Q1020-V1023 VanDerWaalsContact O-N 3.14Å; Q1020-V1024 HydrophobicContact CB-CG2 4.46Å; Q1020-V1024 WeakPolarHBondContact O-CG2 3.34Å; Q1020-V1024 PolarHBondContact O-N 3.32Å |
| 1021 | Q | 78.3 | Confident | 77.3 | Confident | 18 Ų | 18 | 28.4 Ų | 28.4 | 8% | 0.084 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -53.8 | -51.2 | -174.7 | -179.6 | 178.1 | -10.9 | 0 | 0 | 112 | A875 D1018 V1023 V1024 T1025 L1038 F1040 | A875-Q1021 PolarHBondContact O-NE2 2.99Å; A875-Q1021 PolarHBondContact O-OE1 2.89Å; D1018-Q1021 WeakPolarHBondContact O-CB 3.38Å; D1018-Q1021 PolarHBondContact O-N 3.13Å; Q1021-V1023 VanDerWaalsContact C-N 3.32Å; Q1021-V1023 PolarHBondContact O-N 3.12Å; Q1021-V1024 PolarHBondContact O-N 3.31Å; Q1021-V1024 VanDerWaalsContact O-N 3.12Å; Q1021-T1025 PolarHBondContact O-N 3.08Å; Q1021-T1025 PolarHBondContact O-OG1 3.04Å; Q1021-L1038 HydrophobicContact CG-CD2 4.35Å; Q1021-F1040 VanDerWaalsContact CA-CZ 3.49Å; Q1021-F1040 HydrophobicContact CB-CD2 3.99Å; Q1021-F1040 HydrophobicContact CB-CE1 4.43Å; Q1021-F1040 HydrophobicContact CB-CE2 3.81Å; Q1021-F1040 HydrophobicContact CB-CG 4.42Å; Q1021-F1040 HydrophobicContact CB-CZ 4.06Å; Q1021-F1040 HydrophobicContact CG-CD2 3.86Å; Q1021-F1040 HydrophobicContact CG-CE2 3.69Å; Q1021-F1040 HydrophobicContact CG-CZ 4.39Å |
| 1022 | R | 72.3 | Confident | 76.5 | Confident | 106 Ų | 106 | 30.9 Ų | 30.9 | 40% | 0.4 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -57.8 | -43.5 | 179.8 | -172.1 | 174.1 | -178.5 | 179.4 | 0.5 | 112.5 | Q1020 V1024 T1025 C1026 | Q1020-R1022 PolarHBondContact O-N 3.28Å; R1022-V1024 VanDerWaalsContact C-N 3.33Å; R1022-V1024 PolarHBondContact O-N 2.89Å; R1022-T1025 PolarHBondContact O-N 2.9Å; R1022-C1026 WeakPolarHBondContact O-CB 3.29Å; R1022-C1026 PolarHBondContact O-N 3.47Å; R1022-C1026 PolarHBondContact O-SG 3.28Å |
| 1023 | V | 72.7 | Confident | 76.2 | Confident | 95 Ų | 95 | 31.1 Ų | 31.1 | 58% | 0.576 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -63.4 | -41.1 | 178.9 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | Q1020 Q1021 W1027 | Q1020-V1023 PolarHBondContact O-N 3.14Å; Q1020-V1023 VanDerWaalsContact O-N 3.14Å; Q1021-V1023 VanDerWaalsContact C-N 3.32Å; Q1021-V1023 PolarHBondContact O-N 3.12Å; V1023-W1027 VanDerWaalsContact O-CB 3.28Å; V1023-W1027 WeakPolarHBondContact O-CB 3.42Å; V1023-W1027 PolarHBondContact O-N 3.05Å |
| 1024 | V | 79.6 | Confident | 75.8 | Confident | 6 Ų | 6 | 31.5 Ų | 31.5 | 4% | 0.036 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.4 | -41.2 | 179.3 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | I975 Q1020 Q1021 R1022 W1027 L1028 F1040 | I975-V1024 HydrophobicContact CD1-CG1 3.42Å; I975-V1024 VanDerWaalsContact CD1-CG1 3.42Å; I975-V1024 HydrophobicContact CG2-CG1 4.32Å; Q1020-V1024 HydrophobicContact CB-CG2 4.46Å; Q1020-V1024 WeakPolarHBondContact O-CG2 3.34Å; Q1020-V1024 PolarHBondContact O-N 3.32Å; Q1021-V1024 PolarHBondContact O-N 3.31Å; Q1021-V1024 VanDerWaalsContact O-N 3.12Å; R1022-V1024 VanDerWaalsContact C-N 3.33Å; R1022-V1024 PolarHBondContact O-N 2.89Å; V1024-W1027 WeakPolarHBondContact O-CB 3.32Å; V1024-W1027 PolarHBondContact O-N 3.41Å; V1024-L1028 HydrophobicContact CG1-CD1 4.36Å; V1024-L1028 WeakPolarHBondContact O-CG 3.21Å; V1024-L1028 PolarHBondContact O-N 2.85Å; V1024-F1040 HydrophobicContact CB-CE2 4.49Å; V1024-F1040 HydrophobicContact CB-CZ 3.76Å; V1024-F1040 HydrophobicContact CG1-CE2 4.46Å; V1024-F1040 HydrophobicContact CG1-CZ 3.95Å; V1024-F1040 HydrophobicContact CG2-CE1 4.41Å; V1024-F1040 HydrophobicContact CG2-CZ 3.87Å |
| 1025 | T | 76.7 | Confident | 75.6 | Confident | 21 Ų | 21 | 32.4 Ų | 32.4 | 13% | 0.129 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 174.4 | -56.2 | 0 | 0 | 0 | 0 | 110.6 | Q1021 R1022 W1027 L1028 A1029 L1038 F1152 | Q1021-T1025 PolarHBondContact O-N 3.08Å; Q1021-T1025 PolarHBondContact O-OG1 3.04Å; R1022-T1025 PolarHBondContact O-N 2.9Å; T1025-W1027 VanDerWaalsContact C-N 3.31Å; T1025-W1027 PolarHBondContact O-N 3.38Å; T1025-L1028 PolarHBondContact O-N 3.48Å; T1025-A1029 WeakPolarHBondContact O-CB 3.2Å; T1025-A1029 PolarHBondContact O-N 2.85Å; T1025-L1038 WeakPolarHBondContact OG1-CD2 3.47Å; T1025-F1152 HydrophobicContact CG2-CD1 3.9Å; T1025-F1152 HydrophobicContact CG2-CD2 4.14Å; T1025-F1152 HydrophobicContact CG2-CE1 3.97Å; T1025-F1152 HydrophobicContact CG2-CE2 4.21Å; T1025-F1152 HydrophobicContact CG2-CG 3.99Å; T1025-F1152 HydrophobicContact CG2-CZ 4.13Å |
| 1026 | C | 67.6 | Low | 75.9 | Confident | 13 Ų | 13 | 32.1 Ų | 32.1 | 9% | 0.088 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.9 | -43.3 | 174.2 | -69.7 | 0 | 0 | 0 | 0 | 111.3 | R1022 A1029 E1030 F1156 | R1022-C1026 WeakPolarHBondContact O-CB 3.29Å; R1022-C1026 PolarHBondContact O-N 3.47Å; R1022-C1026 PolarHBondContact O-SG 3.28Å; C1026-A1029 PolarHBondContact O-N 2.83Å; C1026-E1030 VanDerWaalsContact O-CB 3.28Å; C1026-E1030 WeakPolarHBondContact O-CB 3.32Å; C1026-E1030 PolarHBondContact O-N 3.48Å; C1026-F1156 HydrophobicContact CB-CD2 4.31Å |
| 1027 | W | 75.9 | Confident | 76.5 | Confident | 18 Ų | 18 | 29 Ų | 29 | 7% | 0.068 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.9 | -44.1 | 178.6 | -176.5 | 80.6 | 0 | 0 | 0 | 113.2 | F979 N989 P990 V992 V1023 V1024 T1025 A1029 E1030 H1031 F1033 | F979-W1027 HydrophobicContact CB-CH2 3.73Å; F979-W1027 HydrophobicContact CB-CZ3 4.09Å; N989-W1027 PolarHBondContact OD1-NE1 2.62Å; P990-W1027 PolarHBondContact O-NE1 2.86Å; V992-W1027 HydrophobicContact CB-CZ2 4.37Å; V992-W1027 HydrophobicContact CG2-CH2 3.73Å; V992-W1027 HydrophobicContact CG2-CZ2 3.34Å; V1023-W1027 VanDerWaalsContact O-CB 3.28Å; V1023-W1027 WeakPolarHBondContact O-CB 3.42Å; V1023-W1027 PolarHBondContact O-N 3.05Å; V1024-W1027 WeakPolarHBondContact O-CB 3.32Å; V1024-W1027 PolarHBondContact O-N 3.41Å; T1025-W1027 VanDerWaalsContact C-N 3.31Å; T1025-W1027 PolarHBondContact O-N 3.38Å; W1027-A1029 VanDerWaalsContact C-N 3.31Å; W1027-A1029 PolarHBondContact O-N 3.4Å; W1027-E1030 PolarHBondContact O-N 3.05Å; W1027-H1031 AromaticContact CD1-CD2 3.57Å; W1027-H1031 AromaticContact CD1-NE2 3.65Å; W1027-H1031 AromaticContact CD2-CD2 3.84Å; W1027-H1031 AromaticContact CE2-CD2 3.42Å; W1027-H1031 VanDerWaalsContact CE2-CD2 3.42Å; W1027-H1031 AromaticContact CE2-NE2 3.76Å; W1027-H1031 AromaticContact CG-CD2 3.97Å; W1027-H1031 AromaticContact CZ2-CD2 3.94Å; W1027-H1031 AromaticContact NE1-CD2 3.21Å; W1027-H1031 PolarHBondContact NE1-CD2 2.9Å; W1027-H1031 AromaticContact NE1-NE2 3.13Å; W1027-H1031 PolarHBondContact NE1-NE2 3.44Å; W1027-H1031 VanDerWaalsContact NE1-NE2 3.13Å; W1027-H1031 PolarHBondContact O-CD2 3.45Å; W1027-H1031 VanDerWaalsContact O-CD2 3.25Å; W1027-H1031 PolarHBondContact O-N 3.43Å; W1027-H1031 VanDerWaalsContact O-N 3.1Å; W1027-F1033 HydrophobicContact CE3-CE2 4.36Å; W1027-F1033 AromaticContact CH2-CE2 3.83Å; W1027-F1033 HydrophobicContact CH2-CE2 3.83Å; W1027-F1033 HydrophobicContact CH2-CZ 4.07Å; W1027-F1033 HydrophobicContact CZ3-CD2 4.33Å; W1027-F1033 AromaticContact CZ3-CE2 3.62Å; W1027-F1033 HydrophobicContact CZ3-CE2 3.62Å; W1027-F1033 HydrophobicContact CZ3-CZ 4.03Å |
| 1028 | L | 81.5 | Confident | 77.2 | Confident | 15 Ų | 15 | 27.1 Ų | 27.1 | 8% | 0.079 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.7 | -43.2 | 174.9 | -72.6 | 171.8 | 0 | 0 | 0 | 110.9 | I975 Y1012 V1024 T1025 N1032 F1033 L1038 | I975-L1028 HydrophobicContact CD1-CD1 4.04Å; Y1012-L1028 HydrophobicContact CD2-CD1 4.12Å; Y1012-L1028 HydrophobicContact CE1-CD2 4.48Å; Y1012-L1028 HydrophobicContact CE2-CD1 4.49Å; Y1012-L1028 HydrophobicContact CG-CD1 4.25Å; V1024-L1028 HydrophobicContact CG1-CD1 4.36Å; V1024-L1028 WeakPolarHBondContact O-CG 3.21Å; V1024-L1028 PolarHBondContact O-N 2.85Å; T1025-L1028 PolarHBondContact O-N 3.48Å; L1028-N1032 PolarHBondContact O-N 3.24Å; L1028-F1033 HydrophobicContact CB-CB 4.17Å; L1028-F1033 HydrophobicContact CB-CD2 4.47Å; L1028-F1033 HydrophobicContact CD2-CB 3.86Å; L1028-F1033 HydrophobicContact CD2-CD1 4.1Å; L1028-F1033 HydrophobicContact CD2-CD2 3.69Å; L1028-F1033 HydrophobicContact CD2-CE2 4.23Å; L1028-F1033 HydrophobicContact CD2-CG 3.6Å; L1028-F1033 WeakPolarHBondContact O-CB 3.45Å; L1028-F1033 PolarHBondContact O-N 3.36Å; L1028-L1038 HydrophobicContact CD1-CD1 4.24Å |
| 1029 | A | 67.6 | Low | 77.7 | Confident | 5 Ų | 5 | 26.1 Ų | 26.1 | 4% | 0.041 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.7 | -44.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1025 C1026 W1027 H1031 N1032 L1149 | T1025-A1029 WeakPolarHBondContact O-CB 3.2Å; T1025-A1029 PolarHBondContact O-N 2.85Å; C1026-A1029 PolarHBondContact O-N 2.83Å; W1027-A1029 VanDerWaalsContact C-N 3.31Å; W1027-A1029 PolarHBondContact O-N 3.4Å; A1029-H1031 VanDerWaalsContact C-N 3.26Å; A1029-H1031 PolarHBondContact O-N 3.24Å; A1029-N1032 PolarHBondContact O-N 3.13Å; A1029-L1149 HydrophobicContact CB-CD2 4.44Å |
| 1030 | E | 62.6 | Low | 78.4 | Confident | 32 Ų | 32 | 24.5 Ų | 24.5 | 15% | 0.15 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.8 | -40.6 | 178.7 | -175 | -178.3 | -178.6 | 0 | 0 | 111.3 | N989 C1026 W1027 N1032 H1159 | N989-E1030 PolarHBondContact ND2-OE1 3.22Å; N989-E1030 PolarHBondContact ND2-OE2 3.47Å; C1026-E1030 VanDerWaalsContact O-CB 3.28Å; C1026-E1030 WeakPolarHBondContact O-CB 3.32Å; C1026-E1030 PolarHBondContact O-N 3.48Å; W1027-E1030 PolarHBondContact O-N 3.05Å; E1030-N1032 VanDerWaalsContact C-N 3.32Å; E1030-H1159 PolarHBondContact OE1-N 3.46Å; E1030-H1159 VanDerWaalsContact OE1-N 3.14Å |
| 1031 | H | 70.6 | Confident | 78.4 | Confident | 12 Ų | 12 | 22.2 Ų | 22.2 | 6% | 0.056 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 8.9 | 178.4 | -67.9 | -67.4 | 0 | 0 | 0 | 114.3 | V992 W1027 A1029 F1033 T1161 | V992-H1031 HydrophobicContact CG2-CB 3.71Å; V992-H1031 WeakPolarHBondContact CG2-CD2 3.45Å; V992-H1031 WeakPolarHBondContact CG2-ND1 3.03Å; W1027-H1031 AromaticContact CD1-CD2 3.57Å; W1027-H1031 AromaticContact CD1-NE2 3.65Å; W1027-H1031 AromaticContact CD2-CD2 3.84Å; W1027-H1031 AromaticContact CE2-CD2 3.42Å; W1027-H1031 VanDerWaalsContact CE2-CD2 3.42Å; W1027-H1031 AromaticContact CE2-NE2 3.76Å; W1027-H1031 AromaticContact CG-CD2 3.97Å; W1027-H1031 AromaticContact CZ2-CD2 3.94Å; W1027-H1031 AromaticContact NE1-CD2 3.21Å; W1027-H1031 PolarHBondContact NE1-CD2 2.9Å; W1027-H1031 AromaticContact NE1-NE2 3.13Å; W1027-H1031 PolarHBondContact NE1-NE2 3.44Å; W1027-H1031 VanDerWaalsContact NE1-NE2 3.13Å; W1027-H1031 PolarHBondContact O-CD2 3.45Å; W1027-H1031 VanDerWaalsContact O-CD2 3.25Å; W1027-H1031 PolarHBondContact O-N 3.43Å; W1027-H1031 VanDerWaalsContact O-N 3.1Å; A1029-H1031 VanDerWaalsContact C-N 3.26Å; A1029-H1031 PolarHBondContact O-N 3.24Å; H1031-F1033 VanDerWaalsContact C-N 3.31Å; H1031-F1033 HydrophobicContact CB-CD2 3.84Å; H1031-F1033 HydrophobicContact CB-CE2 3.76Å; H1031-F1033 PolarHBondContact O-N 2.7Å; H1031-T1161 PolarHBondContact ND1-OG1 3.15Å |
| 1032 | N | 76 | Confident | 77.6 | Confident | 52 Ų | 52 | 25.7 Ų | 25.7 | 28% | 0.278 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 34.1 | 178.2 | -62.3 | -64.6 | 0 | 0 | 0 | 114.7 | V997 R1001 L1028 A1029 E1030 | V997-N1032 WeakPolarHBondContact CG1-O 3.13Å; R1001-N1032 VanDerWaalsContact NH2-CB 3.26Å; R1001-N1032 PolarHBondContact NH2-O 2.86Å; L1028-N1032 PolarHBondContact O-N 3.24Å; A1029-N1032 PolarHBondContact O-N 3.13Å; E1030-N1032 VanDerWaalsContact C-N 3.32Å |
| 1033 | F | 84.5 | Confident | 76.8 | Confident | 9 Ų | 9 | 22.1 Ų | 22.1 | 4% | 0.039 | 13% | 0.126 | C | C | . | . | P | Polyproline II helix | trans | -56.5 | 140 | 169.7 | -79.8 | -92.3 | 0 | 0 | 0 | 110.7 | F979 V992 V997 A1000 Y1012 W1027 L1028 H1031 | F979-F1033 HydrophobicContact CB-CE1 4.46Å; F979-F1033 HydrophobicContact CB-CZ 4.03Å; F979-F1033 AromaticContact CD1-CE1 3.74Å; F979-F1033 HydrophobicContact CD1-CE1 3.74Å; F979-F1033 HydrophobicContact CD1-CZ 4.08Å; F979-F1033 HydrophobicContact CD2-CD1 4.42Å; F979-F1033 AromaticContact CD2-CE1 3.71Å; F979-F1033 HydrophobicContact CD2-CE1 3.71Å; F979-F1033 AromaticContact CD2-CZ 3.99Å; F979-F1033 HydrophobicContact CD2-CZ 3.99Å; F979-F1033 AromaticContact CE1-CE1 3.66Å; F979-F1033 HydrophobicContact CE1-CE1 3.66Å; F979-F1033 HydrophobicContact CE1-CZ 4.46Å; F979-F1033 HydrophobicContact CE2-CD1 4.03Å; F979-F1033 AromaticContact CE2-CE1 3.64Å; F979-F1033 HydrophobicContact CE2-CE1 3.64Å; F979-F1033 HydrophobicContact CE2-CZ 4.37Å; F979-F1033 AromaticContact CG-CE1 3.75Å; F979-F1033 HydrophobicContact CG-CE1 3.75Å; F979-F1033 AromaticContact CG-CZ 3.81Å; F979-F1033 HydrophobicContact CG-CZ 3.81Å; F979-F1033 HydrophobicContact CZ-CD1 4.06Å; F979-F1033 AromaticContact CZ-CE1 3.59Å; F979-F1033 HydrophobicContact CZ-CE1 3.59Å; V992-F1033 HydrophobicContact CG1-CE2 4.25Å; V992-F1033 HydrophobicContact CG1-CZ 4.01Å; V992-F1033 HydrophobicContact CG2-CE2 4.13Å; V997-F1033 HydrophobicContact CG1-CD1 4.48Å; V997-F1033 HydrophobicContact CG1-CG 4.42Å; V997-F1033 HydrophobicContact CG2-CD2 4.27Å; V997-F1033 HydrophobicContact CG2-CE1 4.17Å; V997-F1033 HydrophobicContact CG2-CE2 3.9Å; V997-F1033 HydrophobicContact CG2-CZ 3.84Å; A1000-F1033 HydrophobicContact CB-CD1 4.44Å; Y1012-F1033 HydrophobicContact CE1-CD1 4.39Å; W1027-F1033 HydrophobicContact CE3-CE2 4.36Å; W1027-F1033 AromaticContact CH2-CE2 3.83Å; W1027-F1033 HydrophobicContact CH2-CE2 3.83Å; W1027-F1033 HydrophobicContact CH2-CZ 4.07Å; W1027-F1033 HydrophobicContact CZ3-CD2 4.33Å; W1027-F1033 AromaticContact CZ3-CE2 3.62Å; W1027-F1033 HydrophobicContact CZ3-CE2 3.62Å; W1027-F1033 HydrophobicContact CZ3-CZ 4.03Å; L1028-F1033 HydrophobicContact CB-CB 4.17Å; L1028-F1033 HydrophobicContact CB-CD2 4.47Å; L1028-F1033 HydrophobicContact CD2-CB 3.86Å; L1028-F1033 HydrophobicContact CD2-CD1 4.1Å; L1028-F1033 HydrophobicContact CD2-CD2 3.69Å; L1028-F1033 HydrophobicContact CD2-CE2 4.23Å; L1028-F1033 HydrophobicContact CD2-CG 3.6Å; L1028-F1033 WeakPolarHBondContact O-CB 3.45Å; L1028-F1033 PolarHBondContact O-N 3.36Å; H1031-F1033 VanDerWaalsContact C-N 3.31Å; H1031-F1033 HydrophobicContact CB-CD2 3.84Å; H1031-F1033 HydrophobicContact CB-CE2 3.76Å; H1031-F1033 PolarHBondContact O-N 2.7Å |
| 1034 | P | 82.5 | Confident | 75.7 | Confident | 10 Ų | 10 | 25.2 Ų | 25.2 | 7% | 0.065 | 13% | 0.132 | C | C | . | . | P | Polyproline II helix | trans | -60.9 | 152.2 | 177.4 | 25.9 | -33.1 | 0 | 0 | 0 | 110.5 | A1000 R1001 Q1004 Y1012 G1036 | A1000-P1034 HydrophobicContact CB-CG 3.61Å; R1001-P1034 HydrophobicContact CG-CB 4.04Å; R1001-P1034 HydrophobicContact CG-CG 3.96Å; Q1004-P1034 HydrophobicContact CB-CB 4.33Å; Q1004-P1034 VanDerWaalsContact CD-CB 3.48Å; Q1004-P1034 HydrophobicContact CG-CB 4.46Å; Y1012-P1034 WeakPolarHBondContact CE2-O 3.48Å; Y1012-P1034 WeakPolarHBondContact OH-CD 3.4Å; Y1012-P1034 WeakPolarHBondContact OH-CG 3.37Å; Y1012-P1034 PolarHBondContact OH-O 3.22Å; P1034-G1036 PolarHBondContact O-N 3.2Å |
| 1035 | F | 83.1 | Confident | 74.4 | Confident | 20 Ų | 20 | 27.6 Ų | 27.6 | 9% | 0.088 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -53.9 | 133.3 | 175 | 176.9 | -93.4 | 0 | 0 | 0 | 110.8 | L943 C960 L1037 F1145 | L943-F1035 HydrophobicContact CD1-CE1 3.75Å; L943-F1035 HydrophobicContact CD1-CZ 4.34Å; C960-F1035 HydrophobicContact CB-CZ 4.3Å; F1035-L1037 HydrophobicContact CE1-CD2 4.33Å; F1035-L1037 HydrophobicContact CZ-CD2 4.11Å; F1035-F1145 HydrophobicContact CD2-CB 4.06Å; F1035-F1145 AromaticContact CD2-CD1 3.63Å; F1035-F1145 HydrophobicContact CD2-CD1 3.63Å; F1035-F1145 HydrophobicContact CD2-CD2 4.47Å; F1035-F1145 HydrophobicContact CD2-CE1 4.24Å; F1035-F1145 AromaticContact CD2-CG 3.78Å; F1035-F1145 HydrophobicContact CD2-CG 3.78Å; F1035-F1145 HydrophobicContact CE1-CE2 4.48Å; F1035-F1145 HydrophobicContact CE1-CZ 4.45Å; F1035-F1145 AromaticContact CE2-CD1 3.39Å; F1035-F1145 HydrophobicContact CE2-CD1 3.39Å; F1035-F1145 AromaticContact CE2-CE1 3.55Å; F1035-F1145 HydrophobicContact CE2-CE1 3.55Å; F1035-F1145 AromaticContact CE2-CG 3.95Å; F1035-F1145 HydrophobicContact CE2-CG 3.95Å; F1035-F1145 HydrophobicContact CE2-CZ 4.2Å; F1035-F1145 HydrophobicContact CG-CB 4.34Å; F1035-F1145 HydrophobicContact CG-CD1 4.41Å; F1035-F1145 HydrophobicContact CG-CD2 4.5Å; F1035-F1145 HydrophobicContact CG-CG 4.15Å; F1035-F1145 HydrophobicContact CZ-CD1 4Å; F1035-F1145 AromaticContact CZ-CE1 3.75Å; F1035-F1145 HydrophobicContact CZ-CE1 3.75Å; F1035-F1145 HydrophobicContact CZ-CE2 4.39Å; F1035-F1145 HydrophobicContact CZ-CG 4.45Å; F1035-F1145 AromaticContact CZ-CZ 3.96Å; F1035-F1145 HydrophobicContact CZ-CZ 3.96Å |
| 1036 | G | 87.2 | Confident | 73.5 | Confident | 8 Ų | 8 | 32 Ų | 32 | 8% | 0.082 | 19% | 0.188 | C | C | . | . | trans | -160 | 158.4 | 176 | 0 | 0 | 0 | 0 | 0 | 109.6 | I1010 P1034 | I1010-G1036 CarbonylContact O-C 3.55Å; I1010-G1036 WeakPolarHBondContact O-CA 3.48Å; P1034-G1036 PolarHBondContact O-N 3.2Å | ||
| 1037 | L | 89.6 | Confident | 73.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 128.6 | -179.1 | -57.1 | 179.1 | 0 | 0 | 0 | 109.9 | D877 I879 C960 A962 L1009 I1010 L1011 Y1012 F1035 F1039 | D877-L1037 HydrophobicContact CB-CB 4.1Å; D877-L1037 HydrophobicContact CB-CD2 4.14Å; D877-L1037 WeakPolarHBondContact OD2-CA 3.34Å; I879-L1037 HydrophobicContact CD1-CD1 3.86Å; I879-L1037 HydrophobicContact CG1-CD1 3.59Å; C960-L1037 HydrophobicContact CB-CD2 4.3Å; A962-L1037 HydrophobicContact CB-CD1 3.8Å; A962-L1037 HydrophobicContact CB-CD2 4.28Å; L1009-L1037 HydrophobicContact CD1-CG 4.48Å; L1009-L1037 HydrophobicContact CD2-CD1 4.01Å; I1010-L1037 PolarHBondContact O-N 2.99Å; L1011-L1037 CarbonylContact C-O 3.57Å; L1011-L1037 HydrophobicContact CD2-CB 3.98Å; L1011-L1037 HydrophobicContact CD2-CD1 4.01Å; L1011-L1037 HydrophobicContact CD2-CG 4.3Å; Y1012-L1037 PolarHBondContact N-O 2.93Å; F1035-L1037 HydrophobicContact CE1-CD2 4.33Å; F1035-L1037 HydrophobicContact CZ-CD2 4.11Å; L1037-F1039 HydrophobicContact CB-CD2 4.47Å; L1037-F1039 HydrophobicContact CB-CE2 3.51Å; L1037-F1039 HydrophobicContact CB-CZ 3.82Å; L1037-F1039 HydrophobicContact CD1-CZ 4.32Å |
| 1038 | L | 89.1 | Confident | 73.5 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 121.6 | -173.7 | -178.5 | 61.7 | 0 | 0 | 0 | 111.6 | D877 I975 Q1021 T1025 L1028 F1040 | D877-L1038 PolarHBondContact N-O 2.87Å; D877-L1038 PolarHBondContact OD2-N 2.87Å; I975-L1038 HydrophobicContact CD1-CD1 3.65Å; Q1021-L1038 HydrophobicContact CG-CD2 4.35Å; T1025-L1038 WeakPolarHBondContact OG1-CD2 3.47Å; L1028-L1038 HydrophobicContact CD1-CD1 4.24Å; L1038-F1040 HydrophobicContact CD1-CD2 4.39Å; L1038-F1040 HydrophobicContact CD1-CE2 3.8Å; L1038-F1040 HydrophobicContact CD2-CE2 3.81Å; L1038-F1040 HydrophobicContact CG-CD2 4.11Å; L1038-F1040 HydrophobicContact CG-CE2 3.71Å |
| 1039 | F | 88.6 | Confident | 73.4 | Confident | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 123.3 | -179.5 | -57.3 | -86.3 | 0 | 0 | 0 | 111.5 | D877 I879 L1011 Y1012 S1014 L1037 T1055 L1059 | D877-F1039 WeakPolarHBondContact O-CE1 3.15Å; I879-F1039 HydrophobicContact CD1-CZ 4.14Å; I879-F1039 HydrophobicContact CG1-CZ 4.13Å; L1011-F1039 HydrophobicContact CB-CE2 4.47Å; L1011-F1039 HydrophobicContact CD2-CE2 3.98Å; Y1012-F1039 PolarHBondContact O-N 3.27Å; S1014-F1039 PolarHBondContact N-O 3.42Å; L1037-F1039 HydrophobicContact CB-CD2 4.47Å; L1037-F1039 HydrophobicContact CB-CE2 3.51Å; L1037-F1039 HydrophobicContact CB-CZ 3.82Å; L1037-F1039 HydrophobicContact CD1-CZ 4.32Å; F1039-T1055 HydrophobicContact CB-CG2 4.44Å; F1039-L1059 HydrophobicContact CD1-CD1 4.06Å; F1039-L1059 HydrophobicContact CD2-CD1 4.3Å; F1039-L1059 HydrophobicContact CE1-CD1 3.79Å; F1039-L1059 HydrophobicContact CE1-CD2 4.03Å; F1039-L1059 HydrophobicContact CE2-CD1 4.05Å; F1039-L1059 HydrophobicContact CG-CD1 4.31Å; F1039-L1059 HydrophobicContact CZ-CD1 3.79Å; F1039-L1059 HydrophobicContact CZ-CD2 4.35Å |
| 1040 | F | 85.1 | Confident | 74 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 152.6 | 166.7 | -78.1 | -103.6 | 0 | 0 | 0 | 110.7 | N876 S1014 R1016 D1018 Q1021 V1024 L1038 E1042 | N876-F1040 PolarHBondContact ND2-O 2.88Å; N876-F1040 PolarHBondContact OD1-N 3.07Å; N876-F1040 PolarHBondContact OD1-O 2.79Å; S1014-F1040 WeakPolarHBondContact OG-CE1 3.49Å; R1016-F1040 HydrophobicContact CB-CE1 4.02Å; R1016-F1040 WeakPolarHBondContact O-CD1 3.25Å; D1018-F1040 HydrophobicContact CB-CB 4.1Å; Q1021-F1040 VanDerWaalsContact CA-CZ 3.49Å; Q1021-F1040 HydrophobicContact CB-CD2 3.99Å; Q1021-F1040 HydrophobicContact CB-CE1 4.43Å; Q1021-F1040 HydrophobicContact CB-CE2 3.81Å; Q1021-F1040 HydrophobicContact CB-CG 4.42Å; Q1021-F1040 HydrophobicContact CB-CZ 4.06Å; Q1021-F1040 HydrophobicContact CG-CD2 3.86Å; Q1021-F1040 HydrophobicContact CG-CE2 3.69Å; Q1021-F1040 HydrophobicContact CG-CZ 4.39Å; V1024-F1040 HydrophobicContact CB-CE2 4.49Å; V1024-F1040 HydrophobicContact CB-CZ 3.76Å; V1024-F1040 HydrophobicContact CG1-CE2 4.46Å; V1024-F1040 HydrophobicContact CG1-CZ 3.95Å; V1024-F1040 HydrophobicContact CG2-CE1 4.41Å; V1024-F1040 HydrophobicContact CG2-CZ 3.87Å; L1038-F1040 HydrophobicContact CD1-CD2 4.39Å; L1038-F1040 HydrophobicContact CD1-CE2 3.8Å; L1038-F1040 HydrophobicContact CD2-CE2 3.81Å; L1038-F1040 HydrophobicContact CG-CD2 4.11Å; L1038-F1040 HydrophobicContact CG-CE2 3.71Å; F1040-E1042 PolarHBondContact O-N 2.82Å |
| 1041 | N | 74.8 | Confident | 74.8 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 4% | 0.043 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 127.7 | 173.1 | -75.6 | -10.5 | 0 | 0 | 0 | 111.6 | L1048 Q1051 K1052 | N1041-L1048 PolarHBondContact ND2-O 2.79Å; N1041-Q1051 HydrophobicContact CB-CG 4.1Å; N1041-K1052 PolarHBondContact OD1-N 3.44Å |
| 1042 | E | 62.7 | Low | 75.5 | Confident | 91 Ų | 91 | 44.7 Ų | 44.7 | 43% | 0.425 | 25% | 0.249 | S | C | . | . | trans | -88.8 | 122 | 175.3 | -62.6 | -169.7 | 179.6 | 0 | 0 | 112.6 | N876 F1040 Q1051 | N876-E1042 WeakPolarHBondContact ND2-CG 3.49Å; N876-E1042 PolarHBondContact ND2-OE1 2.94Å; N876-E1042 VanDerWaalsContact ND2-OE1 3.14Å; F1040-E1042 PolarHBondContact O-N 2.82Å; E1042-Q1051 PolarHBondContact O-NE2 2.83Å | ||
| 1043 | G | 55.8 | Low | 76.1 | Confident | 31 Ų | 31 | 42.7 Ų | 42.7 | 32% | 0.32 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 85.3 | -178.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1044 | F | 48 | Very low | 76.2 | Confident | 160 Ų | 160 | 45.8 Ų | 45.8 | 70% | 0.702 | 26% | 0.256 | S | S | * | . | trans | -99.7 | 93.9 | -172.7 | -59.1 | -77.4 | 0 | 0 | 0 | 110.6 | W259 | W259-F1044 HydrophobicContact CB-CD1 4.34Å; W259-F1044 HydrophobicContact CB-CE1 3.87Å; W259-F1044 AromaticContact CD1-CD1 3.88Å; W259-F1044 HydrophobicContact CG-CD1 4.09Å; W259-F1044 HydrophobicContact CG-CE1 4.03Å | ||
| 1045 | S | 53 | Low | 76.3 | Confident | 56 Ų | 56 | 46.9 Ų | 46.9 | 39% | 0.392 | 26% | 0.263 | S | S | . | . | trans | -103.4 | 144.3 | 165 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | D1047 | S1045-D1047 PolarHBondContact O-N 2.75Å; S1045-D1047 PolarHBondContact OG-N 3.02Å | ||
| 1046 | A | 57.8 | Low | 76.7 | Confident | 115 Ų | 115 | 46 Ų | 46 | 95% | 0.95 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -67.6 | -22.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1047 | D | 72.9 | Confident | 76.7 | Confident | 75 Ų | 75 | 49.1 Ų | 49.1 | 40% | 0.401 | 27% | 0.27 | S | S | . | . | trans | -115.3 | 89.5 | -179.8 | -168.4 | -13 | 0 | 0 | 0 | 111.4 | S1045 L1049 K1050 Q1051 | S1045-D1047 PolarHBondContact O-N 2.75Å; S1045-D1047 PolarHBondContact OG-N 3.02Å; D1047-L1049 VanDerWaalsContact C-N 3.27Å; D1047-L1049 PolarHBondContact O-N 2.84Å; D1047-L1049 PolarHBondContact OD1-N 2.78Å; D1047-K1050 HydrophobicContact CB-CB 3.97Å; D1047-K1050 PolarHBondContact OD1-N 2.84Å; D1047-K1050 VanDerWaalsContact OD2-CB 3.27Å; D1047-K1050 WeakPolarHBondContact OD2-CB 3.45Å; D1047-Q1051 PolarHBondContact O-N 2.92Å; D1047-Q1051 VanDerWaalsContact O-N 3.17Å | ||
| 1048 | L | 71.5 | Confident | 76.5 | Confident | 64 Ų | 64 | 51.8 Ų | 51.8 | 34% | 0.335 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.7 | -30.3 | -179.8 | -64.7 | 169.8 | 0 | 0 | 0 | 112.9 | A1015 N1041 K1052 | A1015-L1048 HydrophobicContact CB-CB 4.21Å; N1041-L1048 PolarHBondContact ND2-O 2.79Å; L1048-K1052 PolarHBondContact O-N 3.11Å |
| 1049 | L | 77.6 | Confident | 76.4 | Confident | 68 Ų | 68 | 52.1 Ų | 52.1 | 36% | 0.356 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -77.1 | -43.3 | -178 | -68 | 173.8 | 0 | 0 | 0 | 110.9 | D1047 Q1051 K1052 T1053 K1075 | D1047-L1049 VanDerWaalsContact C-N 3.27Å; D1047-L1049 PolarHBondContact O-N 2.84Å; D1047-L1049 PolarHBondContact OD1-N 2.78Å; L1049-Q1051 PolarHBondContact O-N 2.9Å; L1049-K1052 PolarHBondContact O-N 2.65Å; L1049-T1053 PolarHBondContact O-N 3.41Å; L1049-T1053 PolarHBondContact O-OG1 3.45Å; L1049-T1053 VanDerWaalsContact O-OG1 3.14Å; L1049-K1075 HydrophobicContact CD1-CB 4.08Å; L1049-K1075 HydrophobicContact CD2-CB 4.16Å |
| 1050 | K | 81.3 | Confident | 76.4 | Confident | 120 Ų | 120 | 54.1 Ų | 54.1 | 52% | 0.522 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.7 | -35.5 | 172.9 | -174.4 | 174.4 | -175.8 | 178 | 0 | 111.5 | D1047 T1053 N1054 | D1047-K1050 HydrophobicContact CB-CB 3.97Å; D1047-K1050 PolarHBondContact OD1-N 2.84Å; D1047-K1050 VanDerWaalsContact OD2-CB 3.27Å; D1047-K1050 WeakPolarHBondContact OD2-CB 3.45Å; K1050-T1053 WeakPolarHBondContact O-CB 3.24Å; K1050-T1053 PolarHBondContact O-N 2.86Å; K1050-N1054 VanDerWaalsContact O-CG 3.23Å; K1050-N1054 PolarHBondContact O-N 3.09Å; K1050-N1054 PolarHBondContact O-OD1 3.11Å |
| 1051 | Q | 78.7 | Confident | 76.3 | Confident | 26 Ų | 26 | 57.4 Ų | 57.4 | 12% | 0.121 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 177.8 | -170.4 | 174.2 | 0.5 | 0 | 0 | 113.3 | N1041 E1042 D1047 L1049 T1053 N1054 T1055 | N1041-Q1051 HydrophobicContact CB-CG 4.1Å; E1042-Q1051 PolarHBondContact O-NE2 2.83Å; D1047-Q1051 PolarHBondContact O-N 2.92Å; D1047-Q1051 VanDerWaalsContact O-N 3.17Å; L1049-Q1051 PolarHBondContact O-N 2.9Å; Q1051-T1053 PolarHBondContact O-N 3.33Å; Q1051-N1054 WeakPolarHBondContact O-CB 3.42Å; Q1051-N1054 PolarHBondContact O-N 3.02Å; Q1051-N1054 VanDerWaalsContact O-N 3.07Å; Q1051-T1055 PolarHBondContact O-N 3.38Å; Q1051-T1055 PolarHBondContact O-OG1 3.06Å |
| 1052 | K | 86.2 | Confident | 76.7 | Confident | 7 Ų | 7 | 61.6 Ų | 61.6 | 3% | 0.03 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -52 | -45.9 | 171.9 | -77.6 | -172.8 | 162.8 | 169 | 0 | 111.4 | S974 D976 V1013 A1015 N1041 L1048 L1049 T1055 L1056 D1076 | S974-K1052 PolarHBondContact OG-NZ 3.4Å; D976-K1052 WeakPolarHBondContact OD2-CE 3.41Å; D976-K1052 IonicContact OD2-NZ 2.58Å; D976-K1052 PolarHBondContact OD2-NZ 3.12Å; V1013-K1052 HydrophobicContact CG1-CB 4.05Å; V1013-K1052 HydrophobicContact CG1-CD 4Å; V1013-K1052 HydrophobicContact CG1-CG 3.76Å; A1015-K1052 HydrophobicContact CB-CD 3.93Å; A1015-K1052 HydrophobicContact CB-CG 4.05Å; N1041-K1052 PolarHBondContact OD1-N 3.44Å; L1048-K1052 PolarHBondContact O-N 3.11Å; L1049-K1052 PolarHBondContact O-N 2.65Å; K1052-T1055 PolarHBondContact O-N 3.34Å; K1052-L1056 PolarHBondContact O-N 3.43Å; K1052-L1056 VanDerWaalsContact O-N 3.12Å; K1052-D1076 IonicContact NZ-OD1 3.06Å |
| 1053 | T | 88.3 | Confident | 77.6 | Confident | 11 Ų | 11 | 58 Ų | 58 | 7% | 0.067 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.9 | -42.7 | -179.9 | -52.1 | 0 | 0 | 0 | 0 | 110.7 | L1049 K1050 Q1051 L1056 K1057 G1079 E1082 | L1049-T1053 PolarHBondContact O-N 3.41Å; L1049-T1053 PolarHBondContact O-OG1 3.45Å; L1049-T1053 VanDerWaalsContact O-OG1 3.14Å; K1050-T1053 WeakPolarHBondContact O-CB 3.24Å; K1050-T1053 PolarHBondContact O-N 2.86Å; Q1051-T1053 PolarHBondContact O-N 3.33Å; T1053-L1056 PolarHBondContact O-N 3.44Å; T1053-K1057 HydrophobicContact CG2-CD 4.43Å; T1053-K1057 WeakPolarHBondContact O-CG 3.17Å; T1053-K1057 PolarHBondContact O-N 2.93Å; T1053-G1079 VanDerWaalsContact CG2-O 3.31Å; T1053-G1079 WeakPolarHBondContact CG2-O 3.28Å; T1053-G1079 VanDerWaalsContact OG1-CA 3.25Å; T1053-G1079 WeakPolarHBondContact OG1-CA 3.49Å; T1053-E1082 HydrophobicContact CG2-CB 4.31Å |
| 1054 | N | 85.8 | Confident | 78.9 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 39% | 0.39 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 176.7 | -69.1 | -14.8 | 0 | 0 | 0 | 112.7 | K1050 Q1051 L1056 K1057 S1058 | K1050-N1054 VanDerWaalsContact O-CG 3.23Å; K1050-N1054 PolarHBondContact O-N 3.09Å; K1050-N1054 PolarHBondContact O-OD1 3.11Å; Q1051-N1054 WeakPolarHBondContact O-CB 3.42Å; Q1051-N1054 PolarHBondContact O-N 3.02Å; Q1051-N1054 VanDerWaalsContact O-N 3.07Å; N1054-L1056 VanDerWaalsContact C-N 3.33Å; N1054-L1056 PolarHBondContact O-N 2.9Å; N1054-K1057 PolarHBondContact O-N 3.46Å; N1054-S1058 WeakPolarHBondContact O-CB 3.36Å; N1054-S1058 PolarHBondContact O-N 2.87Å |
| 1055 | T | 85.5 | Confident | 80.9 | Confident | 34 Ų | 34 | 54.7 Ų | 54.7 | 21% | 0.209 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.1 | -46.7 | 174.3 | -56.7 | 0 | 0 | 0 | 0 | 110.2 | F1039 Q1051 K1052 K1057 S1058 L1059 | F1039-T1055 HydrophobicContact CB-CG2 4.44Å; Q1051-T1055 PolarHBondContact O-N 3.38Å; Q1051-T1055 PolarHBondContact O-OG1 3.06Å; K1052-T1055 PolarHBondContact O-N 3.34Å; T1055-K1057 PolarHBondContact O-N 3.26Å; T1055-S1058 PolarHBondContact O-N 3.21Å; T1055-L1059 HydrophobicContact CG2-CD1 4.26Å; T1055-L1059 VanDerWaalsContact O-CG 3.3Å; T1055-L1059 WeakPolarHBondContact O-CG 3.12Å; T1055-L1059 PolarHBondContact O-N 3.14Å |
| 1056 | L | 90.2 | Very high | 82.7 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.8 | -39 | 176.1 | -69 | 173.1 | 0 | 0 | 0 | 112.7 | V972 V1013 K1052 T1053 N1054 L1059 T1060 I1067 Y1080 L1083 | V972-L1056 HydrophobicContact CG1-CD1 4Å; V972-L1056 HydrophobicContact CG1-CD2 4.32Å; V972-L1056 HydrophobicContact CG2-CD2 3.93Å; V1013-L1056 HydrophobicContact CG2-CD1 4.48Å; V1013-L1056 HydrophobicContact CG2-CD2 3.92Å; V1013-L1056 HydrophobicContact CG2-CG 4.37Å; K1052-L1056 PolarHBondContact O-N 3.43Å; K1052-L1056 VanDerWaalsContact O-N 3.12Å; T1053-L1056 PolarHBondContact O-N 3.44Å; N1054-L1056 VanDerWaalsContact C-N 3.33Å; N1054-L1056 PolarHBondContact O-N 2.9Å; L1056-L1059 PolarHBondContact O-N 3.44Å; L1056-T1060 WeakPolarHBondContact O-CB 3.4Å; L1056-T1060 PolarHBondContact O-N 3.36Å; L1056-T1060 PolarHBondContact O-OG1 3.02Å; L1056-I1067 HydrophobicContact CB-CD1 4.25Å; L1056-I1067 HydrophobicContact CD2-CD1 4.08Å; L1056-Y1080 HydrophobicContact CD1-CD1 4.41Å; L1056-Y1080 HydrophobicContact CD1-CE1 3.89Å; L1056-L1083 HydrophobicContact CB-CD1 3.85Å; L1056-L1083 HydrophobicContact CB-CD2 3.89Å; L1056-L1083 HydrophobicContact CD1-CD1 3.81Å; L1056-L1083 HydrophobicContact CG-CD1 4.47Å |
| 1057 | K | 88.9 | Confident | 84.4 | Confident | 72 Ų | 72 | 50.9 Ų | 50.9 | 31% | 0.313 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 174.3 | -76.1 | 178.8 | -177.3 | 169.3 | 0 | 111.7 | T1053 N1054 T1055 T1060 A1061 E1082 L1083 | T1053-K1057 HydrophobicContact CG2-CD 4.43Å; T1053-K1057 WeakPolarHBondContact O-CG 3.17Å; T1053-K1057 PolarHBondContact O-N 2.93Å; N1054-K1057 PolarHBondContact O-N 3.46Å; T1055-K1057 PolarHBondContact O-N 3.26Å; K1057-T1060 PolarHBondContact O-N 3.35Å; K1057-A1061 VanDerWaalsContact O-CB 3.3Å; K1057-A1061 WeakPolarHBondContact O-CB 3.32Å; K1057-A1061 PolarHBondContact O-N 3.31Å; K1057-E1082 WeakPolarHBondContact CE-O 3.33Å; K1057-E1082 IonicContact NZ-OE2 2.83Å; K1057-E1082 PolarHBondContact NZ-OE2 2.8Å; K1057-L1083 HydrophobicContact CB-CD2 4.31Å; K1057-L1083 HydrophobicContact CG-CD2 3.45Å; K1057-L1083 VanDerWaalsContact CG-CD2 3.45Å |
| 1058 | S | 85.1 | Confident | 85.4 | Confident | 56 Ų | 56 | 48.3 Ų | 48.3 | 39% | 0.392 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.7 | -47.3 | 176.5 | 164.5 | 0 | 0 | 0 | 0 | 110.9 | N1054 T1055 T1060 A1061 D1062 | N1054-S1058 WeakPolarHBondContact O-CB 3.36Å; N1054-S1058 PolarHBondContact O-N 2.87Å; T1055-S1058 PolarHBondContact O-N 3.21Å; S1058-T1060 VanDerWaalsContact C-N 3.29Å; S1058-T1060 PolarHBondContact O-N 2.98Å; S1058-A1061 PolarHBondContact O-N 2.85Å; S1058-D1062 VanDerWaalsContact O-CB 3.22Å; S1058-D1062 WeakPolarHBondContact O-CB 3.47Å; S1058-D1062 PolarHBondContact O-N 3.27Å; S1058-D1062 VanDerWaalsContact O-OD2 3.13Å; S1058-D1062 PolarHBondContact OG-OD2 3.33Å |
| 1059 | L | 86.1 | Confident | 86.5 | Confident | 17 Ų | 17 | 45.2 Ų | 45.2 | 9% | 0.089 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.4 | -41.8 | 175.7 | -68.9 | 172.9 | 0 | 0 | 0 | 112.2 | I879 F1039 T1055 L1056 C1063 I1065 | I879-L1059 HydrophobicContact CB-CD2 4.38Å; I879-L1059 HydrophobicContact CD1-CD2 4.22Å; I879-L1059 HydrophobicContact CG1-CD2 4.41Å; F1039-L1059 HydrophobicContact CD1-CD1 4.06Å; F1039-L1059 HydrophobicContact CD2-CD1 4.3Å; F1039-L1059 HydrophobicContact CE1-CD1 3.79Å; F1039-L1059 HydrophobicContact CE1-CD2 4.03Å; F1039-L1059 HydrophobicContact CE2-CD1 4.05Å; F1039-L1059 HydrophobicContact CG-CD1 4.31Å; F1039-L1059 HydrophobicContact CZ-CD1 3.79Å; F1039-L1059 HydrophobicContact CZ-CD2 4.35Å; T1055-L1059 HydrophobicContact CG2-CD1 4.26Å; T1055-L1059 VanDerWaalsContact O-CG 3.3Å; T1055-L1059 WeakPolarHBondContact O-CG 3.12Å; T1055-L1059 PolarHBondContact O-N 3.14Å; L1056-L1059 PolarHBondContact O-N 3.44Å; L1059-C1063 WeakPolarHBondContact O-CA 3.16Å; L1059-C1063 WeakPolarHBondContact O-CB 3.39Å; L1059-C1063 PolarHBondContact O-N 3.32Å; L1059-I1065 HydrophobicContact CB-CD1 3.92Å; L1059-I1065 HydrophobicContact CB-CG1 4.5Å |
| 1060 | T | 88.4 | Confident | 87.3 | Confident | 49 Ų | 49 | 42 Ų | 42 | 30% | 0.301 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66 | -45 | 178.1 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | L1056 K1057 S1058 K1064 I1065 | L1056-T1060 WeakPolarHBondContact O-CB 3.4Å; L1056-T1060 PolarHBondContact O-N 3.36Å; L1056-T1060 PolarHBondContact O-OG1 3.02Å; K1057-T1060 PolarHBondContact O-N 3.35Å; S1058-T1060 VanDerWaalsContact C-N 3.29Å; S1058-T1060 PolarHBondContact O-N 2.98Å; T1060-K1064 WeakPolarHBondContact O-CA 3.48Å; T1060-K1064 PolarHBondContact O-N 3.31Å; T1060-I1065 WeakPolarHBondContact CG2-O 3.45Å |
| 1061 | A | 84.5 | Confident | 87.9 | Confident | 71 Ų | 71 | 36.3 Ų | 36.3 | 59% | 0.587 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -72.2 | -47.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1057 S1058 | K1057-A1061 VanDerWaalsContact O-CB 3.3Å; K1057-A1061 WeakPolarHBondContact O-CB 3.32Å; K1057-A1061 PolarHBondContact O-N 3.31Å; S1058-A1061 PolarHBondContact O-N 2.85Å |
| 1062 | D | 81.3 | Confident | 88.5 | Confident | 95 Ų | 95 | 35.1 Ų | 35.1 | 51% | 0.508 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -81.5 | -37.3 | -171.5 | -56.1 | -28.9 | 0 | 0 | 0 | 111.3 | S881 S1058 | S881-D1062 WeakPolarHBondContact CB-O 3.41Å; S881-D1062 PolarHBondContact OG-O 3.03Å; S1058-D1062 VanDerWaalsContact O-CB 3.22Å; S1058-D1062 WeakPolarHBondContact O-CB 3.47Å; S1058-D1062 PolarHBondContact O-N 3.27Å; S1058-D1062 VanDerWaalsContact O-OD2 3.13Å; S1058-D1062 PolarHBondContact OG-OD2 3.33Å |
| 1063 | C | 81.8 | Confident | 88.6 | Confident | 15 Ų | 15 | 35.6 Ų | 35.6 | 10% | 0.101 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -103.2 | -2.4 | -175.3 | -52.2 | 0 | 0 | 0 | 0 | 114.1 | I879 L1059 I1065 | I879-C1063 HydrophobicContact CB-CB 4.24Å; I879-C1063 HydrophobicContact CG2-CB 3.57Å; I879-C1063 PolarHBondContact O-SG 3.32Å; L1059-C1063 WeakPolarHBondContact O-CA 3.16Å; L1059-C1063 WeakPolarHBondContact O-CB 3.39Å; L1059-C1063 PolarHBondContact O-N 3.32Å; C1063-I1065 HydrophobicContact CB-CG2 4.18Å; C1063-I1065 PolarHBondContact O-N 2.91Å |
| 1064 | K | 84.4 | Confident | 88.6 | Confident | 120 Ų | 120 | 36.4 Ų | 36.4 | 52% | 0.522 | 21% | 0.205 | S | C | . | . | trans | 52.1 | 39.5 | -177.6 | -55.1 | 179.4 | -177.9 | 175.7 | 0 | 112.9 | P966 E967 T1060 | P966-K1064 HydrophobicContact CB-CB 4.37Å; P966-K1064 HydrophobicContact CB-CD 4.43Å; E967-K1064 WeakPolarHBondContact CA-O 3.37Å; E967-K1064 PolarHBondContact N-O 3.33Å; T1060-K1064 WeakPolarHBondContact O-CA 3.48Å; T1060-K1064 PolarHBondContact O-N 3.31Å | ||
| 1065 | I | 89.6 | Confident | 88.7 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | trans | -84.7 | 149.4 | 172.3 | 61.1 | 166.1 | 0 | 0 | 0 | 110.2 | I879 L964 L1011 L1059 T1060 C1063 | I879-I1065 HydrophobicContact CD1-CD1 4.16Å; I879-I1065 HydrophobicContact CD1-CG2 4.36Å; L964-I1065 HydrophobicContact CD1-CG2 4Å; L1011-I1065 HydrophobicContact CD1-CD1 3.82Å; L1059-I1065 HydrophobicContact CB-CD1 3.92Å; L1059-I1065 HydrophobicContact CB-CG1 4.5Å; T1060-I1065 WeakPolarHBondContact CG2-O 3.45Å; C1063-I1065 HydrophobicContact CB-CG2 4.18Å; C1063-I1065 PolarHBondContact O-N 2.91Å | ||
| 1066 | K | 91.2 | Very high | 88.9 | Confident | 75 Ų | 75 | 39.1 Ų | 39.1 | 33% | 0.326 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 111.8 | 177.3 | -174.5 | -177.3 | 177.1 | -134 | 0 | 109.6 | T968 E969 C970 E1068 | T968-K1066 PolarHBondContact O-N 3.35Å; E969-K1066 CarbonylContact C-O 3.51Å; E969-K1066 WeakPolarHBondContact CA-O 3.17Å; E969-K1066 IonicContact OE1-NZ 3.55Å; E969-K1066 PolarHBondContact OE1-NZ 2.75Å; C970-K1066 PolarHBondContact N-O 2.88Å; K1066-E1068 VanDerWaalsContact CE-OE2 3.23Å; K1066-E1068 WeakPolarHBondContact CE-OE2 3.29Å; K1066-E1068 IonicContact NZ-OE1 2.69Å; K1066-E1068 IonicContact NZ-OE2 3.08Å; K1066-E1068 PolarHBondContact NZ-OE2 3.34Å; K1066-E1068 PolarHBondContact O-N 3.31Å |
| 1067 | I | 94 | Very high | 88.9 | Confident | 16 Ų | 16 | 39 Ų | 39 | 8% | 0.082 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 117.7 | 173.5 | -60.3 | 167.6 | 0 | 0 | 0 | 107.4 | V972 L1056 L1083 L1085 | V972-I1067 HydrophobicContact CB-CG2 4.47Å; V972-I1067 HydrophobicContact CG2-CD1 4Å; V972-I1067 HydrophobicContact CG2-CG1 4.07Å; V972-I1067 HydrophobicContact CG2-CG2 3.74Å; L1056-I1067 HydrophobicContact CB-CD1 4.25Å; L1056-I1067 HydrophobicContact CD2-CD1 4.08Å; I1067-L1083 HydrophobicContact CD1-CD1 4.09Å; I1067-L1085 HydrophobicContact CG2-CD1 3.98Å; I1067-L1085 HydrophobicContact CG2-CD2 4.25Å; I1067-L1085 WeakPolarHBondContact O-CD2 3.34Å |
| 1068 | E | 92.2 | Very high | 89 | Confident | 20 Ų | 20 | 44.1 Ų | 44.1 | 9% | 0.093 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -42.6 | 179.8 | -164.8 | 76.4 | 170.6 | 0 | 0 | 111 | C970 Y1008 K1066 H1089 R1128 | C970-E1068 PolarHBondContact O-N 2.73Å; Y1008-E1068 HydrophobicContact CD1-CB 4.49Å; Y1008-E1068 HydrophobicContact CE1-CB 3.92Å; Y1008-E1068 HydrophobicContact CE1-CG 4.15Å; K1066-E1068 VanDerWaalsContact CE-OE2 3.23Å; K1066-E1068 WeakPolarHBondContact CE-OE2 3.29Å; K1066-E1068 IonicContact NZ-OE1 2.69Å; K1066-E1068 IonicContact NZ-OE2 3.08Å; K1066-E1068 PolarHBondContact NZ-OE2 3.34Å; K1066-E1068 PolarHBondContact O-N 3.31Å; E1068-H1089 WeakPolarHBondContact O-CB 3.48Å; E1068-H1089 PolarHBondContact O-CD2 2.89Å; E1068-R1128 VanDerWaalsContact CD-NH2 3.27Å; E1068-R1128 IonicContact OE1-CZ 3.53Å; E1068-R1128 IonicContact OE1-NE 2.66Å; E1068-R1128 IonicContact OE1-NH2 3.78Å; E1068-R1128 PolarHBondContact OE1-NH2 3.14Å; E1068-R1128 IonicContact OE2-NH2 3.52Å |
| 1069 | V | 94.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 140.6 | -174.8 | 178 | 0 | 0 | 0 | 0 | 110.5 | V971 V972 W1003 Y1071 H1089 F1091 V1126 | V971-V1069 WeakPolarHBondContact CA-O 3.35Å; V971-V1069 HydrophobicContact CG1-CB 4.2Å; V971-V1069 HydrophobicContact CG1-CG1 4.39Å; V971-V1069 HydrophobicContact CG2-CB 4.21Å; V972-V1069 PolarHBondContact N-O 3.44Å; W1003-V1069 HydrophobicContact CH2-CG2 3.87Å; W1003-V1069 HydrophobicContact CZ2-CG1 4.23Å; W1003-V1069 HydrophobicContact CZ2-CG2 4.18Å; W1003-V1069 HydrophobicContact CZ3-CG2 4.25Å; V1069-Y1071 HydrophobicContact CG1-CD2 3.96Å; V1069-Y1071 HydrophobicContact CG1-CE2 3.51Å; V1069-H1089 WeakPolarHBondContact CA-O 3.37Å; V1069-F1091 HydrophobicContact CG1-CD2 3.52Å; V1069-F1091 HydrophobicContact CG1-CE2 3.52Å; V1069-V1126 HydrophobicContact CG2-CG1 3.68Å |
| 1070 | A | 94.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V972 Y1080 L1085 H1089 F1091 | V972-A1070 HydrophobicContact CB-CB 4.31Å; V972-A1070 CarbonylContact O-C 3.55Å; V972-A1070 WeakPolarHBondContact O-CA 3.42Å; A1070-Y1080 HydrophobicContact CB-CD1 3.86Å; A1070-Y1080 HydrophobicContact CB-CD2 3.64Å; A1070-Y1080 HydrophobicContact CB-CE1 3.97Å; A1070-Y1080 HydrophobicContact CB-CE2 3.74Å; A1070-Y1080 HydrophobicContact CB-CG 3.7Å; A1070-L1085 HydrophobicContact CB-CD1 3.64Å; A1070-H1089 PolarHBondContact N-O 2.93Å; A1070-F1091 PolarHBondContact O-N 2.95Å |
| 1071 | Y | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 126.9 | 176.4 | -75.6 | -95.8 | 0 | 0 | 0 | 111 | V971 V972 F973 S974 V999 W1003 V1069 Y1080 F1091 L1107 Y1111 H1114 | V971-Y1071 HydrophobicContact CG1-CD2 4.11Å; V971-Y1071 HydrophobicContact CG1-CE2 4.21Å; V972-Y1071 PolarHBondContact O-N 3.36Å; F973-Y1071 VanDerWaalsContact CD1-CB 3.48Å; F973-Y1071 AromaticContact CD1-CD2 3.94Å; F973-Y1071 HydrophobicContact CD1-CD2 3.94Å; F973-Y1071 AromaticContact CD1-CG 3.78Å; F973-Y1071 HydrophobicContact CD1-CG 3.78Å; F973-Y1071 HydrophobicContact CE1-CD1 4.16Å; F973-Y1071 AromaticContact CE1-CD2 3.41Å; F973-Y1071 HydrophobicContact CE1-CD2 3.41Å; F973-Y1071 VanDerWaalsContact CE1-CD2 3.41Å; F973-Y1071 AromaticContact CE1-CE2 3.96Å; F973-Y1071 HydrophobicContact CE1-CE2 3.96Å; F973-Y1071 AromaticContact CE1-CG 3.52Å; F973-Y1071 HydrophobicContact CE1-CG 3.52Å; F973-Y1071 HydrophobicContact CE2-CD2 4.48Å; F973-Y1071 AromaticContact CZ-CD2 3.73Å; F973-Y1071 HydrophobicContact CZ-CD2 3.73Å; F973-Y1071 AromaticContact CZ-CE2 4Å; F973-Y1071 HydrophobicContact CZ-CE2 4Å; F973-Y1071 HydrophobicContact CZ-CG 4.3Å; S974-Y1071 PolarHBondContact N-O 3.14Å; V999-Y1071 HydrophobicContact CG1-CE1 3.88Å; V999-Y1071 HydrophobicContact CG1-CE2 4.43Å; W1003-Y1071 AromaticContact CD1-CE2 3.92Å; W1003-Y1071 AromaticContact NE1-CE2 3.31Å; W1003-Y1071 VanDerWaalsContact NE1-CE2 3.31Å; W1003-Y1071 AromaticContact NE1-CZ 3.47Å; W1003-Y1071 PolarHBondContact NE1-OH 2.86Å; V1069-Y1071 HydrophobicContact CG1-CD2 3.96Å; V1069-Y1071 HydrophobicContact CG1-CE2 3.51Å; Y1071-Y1080 PolarHBondContact O-OH 2.94Å; Y1071-F1091 WeakPolarHBondContact CA-O 3.36Å; Y1071-F1091 HydrophobicContact CD1-CB 3.55Å; Y1071-F1091 HydrophobicContact CD1-CD2 4.4Å; Y1071-F1091 HydrophobicContact CD1-CG 4.3Å; Y1071-F1091 HydrophobicContact CD2-CD2 4.42Å; Y1071-F1091 HydrophobicContact CE1-CB 3.56Å; Y1071-F1091 AromaticContact CE1-CD2 3.85Å; Y1071-F1091 HydrophobicContact CE1-CD2 3.85Å; Y1071-F1091 AromaticContact CE1-CG 3.84Å; Y1071-F1091 HydrophobicContact CE1-CG 3.84Å; Y1071-F1091 AromaticContact CE2-CD2 3.84Å; Y1071-F1091 HydrophobicContact CE2-CD2 3.84Å; Y1071-F1091 HydrophobicContact CG-CB 4.19Å; Y1071-F1091 AromaticContact CZ-CD2 3.55Å; Y1071-L1107 HydrophobicContact CD1-CD1 4.4Å; Y1071-L1107 HydrophobicContact CE1-CD1 4.15Å; Y1071-Y1111 AromaticContact CD1-CE1 3.82Å; Y1071-Y1111 HydrophobicContact CD1-CE1 3.82Å; Y1071-Y1111 HydrophobicContact CE1-CE1 4.06Å; Y1071-H1114 AromaticContact CE1-CD2 3.73Å; Y1071-H1114 AromaticContact CE1-NE2 3.63Å; Y1071-H1114 AromaticContact CZ-NE2 3.69Å; Y1071-H1114 PolarHBondContact OH-CD2 3.23Å; Y1071-H1114 PolarHBondContact OH-NE2 3.42Å |
| 1072 | G | 91.5 | Very high | 90.2 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | -175.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | S978 F1091 A1092 I1093 | S978-G1072 VanDerWaalsContact OG-C 3.27Å; S978-G1072 VanDerWaalsContact OG-CA 3.23Å; S978-G1072 WeakPolarHBondContact OG-CA 3.43Å; G1072-F1091 PolarHBondContact N-O 3.29Å; G1072-A1092 CarbonylContact O-C 3.55Å; G1072-A1092 VanDerWaalsContact O-CA 3.29Å; G1072-A1092 WeakPolarHBondContact O-CA 3.29Å; G1072-I1093 PolarHBondContact O-N 3.25Å |
| 1073 | S | 88.9 | Confident | 90.6 | Very high | 17 Ų | 17 | 42.8 Ų | 42.8 | 12% | 0.119 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 174.6 | 163.8 | 72.6 | 0 | 0 | 0 | 0 | 110.4 | S978 K1075 D1076 | S978-S1073 PolarHBondContact OG-N 2.98Å; S1073-K1075 PolarHBondContact O-N 2.81Å; S1073-K1075 PolarHBondContact OG-N 3.26Å; S1073-D1076 PolarHBondContact N-OD2 2.94Å; S1073-D1076 PolarHBondContact O-N 3.33Å; S1073-D1076 PolarHBondContact OG-OD2 3.24Å |
| 1074 | A | 88.5 | Confident | 91 | Very high | 28 Ų | 28 | 45.1 Ų | 45.1 | 23% | 0.231 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -18.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I1096 | A1074-I1096 HydrophobicContact CB-CG1 4.14Š|
| 1075 | K | 87.3 | Confident | 91.4 | Very high | 152 Ų | 152 | 40.1 Ų | 40.1 | 66% | 0.661 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -27.3 | 178.2 | -60.2 | 177.9 | -178.6 | 177.2 | 0 | 113 | L1049 S1073 | L1049-K1075 HydrophobicContact CD1-CB 4.08Å; L1049-K1075 HydrophobicContact CD2-CB 4.16Å; S1073-K1075 PolarHBondContact O-N 2.81Å; S1073-K1075 PolarHBondContact OG-N 3.26Å |
| 1076 | D | 89.6 | Confident | 91.5 | Very high | 11 Ų | 11 | 44.8 Ų | 44.8 | 6% | 0.059 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -21.3 | -173.2 | -52.4 | -71.9 | 0 | 0 | 0 | 111.9 | S974 K1052 S1073 R1078 G1079 Y1080 | S974-D1076 PolarHBondContact OG-OD1 3.09Å; S974-D1076 PolarHBondContact OG-OD2 3.26Å; K1052-D1076 IonicContact NZ-OD1 3.06Å; S1073-D1076 PolarHBondContact N-OD2 2.94Å; S1073-D1076 PolarHBondContact O-N 3.33Å; S1073-D1076 PolarHBondContact OG-OD2 3.24Å; D1076-R1078 PolarHBondContact O-N 3.09Å; D1076-G1079 PolarHBondContact O-N 2.82Å; D1076-Y1080 HydrophobicContact CB-CD2 4.09Å; D1076-Y1080 HydrophobicContact CB-CE2 3.53Å; D1076-Y1080 PolarHBondContact O-N 2.9Å |
| 1077 | V | 91.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -50 | -48.5 | -176.2 | 175.5 | 0 | 0 | 0 | 0 | 113.2 | G1079 Y1080 R1081 I1090 A1092 L1100 D1103 C1104 | V1077-G1079 VanDerWaalsContact C-N 3.33Å; V1077-G1079 PolarHBondContact O-N 2.96Å; V1077-Y1080 PolarHBondContact O-N 2.75Å; V1077-R1081 WeakPolarHBondContact O-CG 3.41Å; V1077-R1081 PolarHBondContact O-N 3.25Å; V1077-I1090 HydrophobicContact CG2-CG2 4.42Å; V1077-A1092 HydrophobicContact CG2-CB 3.7Å; V1077-L1100 HydrophobicContact CB-CD2 4.47Å; V1077-L1100 HydrophobicContact CG1-CD2 4.21Å; V1077-D1103 HydrophobicContact CG1-CB 3.78Å; V1077-C1104 HydrophobicContact CG1-CB 3.84Å; V1077-C1104 HydrophobicContact CG2-CB 3.93Å |
| 1078 | R | 91.1 | Very high | 91.3 | Very high | 179 Ų | 179 | 46.3 Ų | 46.3 | 68% | 0.675 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.7 | -41.1 | -179.8 | -69.1 | -176.9 | 178.3 | -170.1 | -2.4 | 112.1 | D1076 Y1080 R1081 E1082 L1100 | D1076-R1078 PolarHBondContact O-N 3.09Å; R1078-Y1080 VanDerWaalsContact C-N 3.32Å; R1078-Y1080 PolarHBondContact O-N 3.32Å; R1078-R1081 PolarHBondContact O-N 2.91Å; R1078-E1082 WeakPolarHBondContact O-CG 3.49Å; R1078-E1082 PolarHBondContact O-N 2.85Å; R1078-E1082 VanDerWaalsContact O-N 3.08Å; R1078-L1100 HydrophobicContact CG-CD2 4.05Å |
| 1079 | G | 89.7 | Confident | 91.4 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 7% | 0.072 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1053 D1076 V1077 E1082 L1083 | T1053-G1079 VanDerWaalsContact CG2-O 3.31Å; T1053-G1079 WeakPolarHBondContact CG2-O 3.28Å; T1053-G1079 VanDerWaalsContact OG1-CA 3.25Å; T1053-G1079 WeakPolarHBondContact OG1-CA 3.49Å; D1076-G1079 PolarHBondContact O-N 2.82Å; V1077-G1079 VanDerWaalsContact C-N 3.33Å; V1077-G1079 PolarHBondContact O-N 2.96Å; G1079-E1082 WeakPolarHBondContact O-CB 3.39Å; G1079-E1082 PolarHBondContact O-N 2.84Å; G1079-L1083 PolarHBondContact O-N 3.01Å |
| 1080 | Y | 93.6 | Very high | 91.4 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69 | -36.1 | 176.8 | -62.2 | -31.3 | 0 | 0 | 0 | 113.5 | V972 S974 L1056 A1070 Y1071 D1076 V1077 R1078 E1082 L1083 L1085 I1090 | V972-Y1080 HydrophobicContact CG1-CE1 4.12Å; S974-Y1080 WeakPolarHBondContact CB-OH 3.44Å; L1056-Y1080 HydrophobicContact CD1-CD1 4.41Å; L1056-Y1080 HydrophobicContact CD1-CE1 3.89Å; A1070-Y1080 HydrophobicContact CB-CD1 3.86Å; A1070-Y1080 HydrophobicContact CB-CD2 3.64Å; A1070-Y1080 HydrophobicContact CB-CE1 3.97Å; A1070-Y1080 HydrophobicContact CB-CE2 3.74Å; A1070-Y1080 HydrophobicContact CB-CG 3.7Å; Y1071-Y1080 PolarHBondContact O-OH 2.94Å; D1076-Y1080 HydrophobicContact CB-CD2 4.09Å; D1076-Y1080 HydrophobicContact CB-CE2 3.53Å; D1076-Y1080 PolarHBondContact O-N 2.9Å; V1077-Y1080 PolarHBondContact O-N 2.75Å; R1078-Y1080 VanDerWaalsContact C-N 3.32Å; R1078-Y1080 PolarHBondContact O-N 3.32Å; Y1080-E1082 VanDerWaalsContact C-N 3.32Å; Y1080-E1082 PolarHBondContact O-N 3.13Å; Y1080-L1083 HydrophobicContact CD1-CD1 3.99Å; Y1080-L1083 WeakPolarHBondContact O-CB 3.44Å; Y1080-L1083 PolarHBondContact O-N 2.94Å; Y1080-L1083 VanDerWaalsContact O-N 3.14Å; Y1080-L1085 PolarHBondContact O-N 3.2Å; Y1080-I1090 HydrophobicContact CD2-CG2 3.96Å |
| 1081 | R | 93.4 | Very high | 91.4 | Very high | 94 Ų | 94 | 47 Ų | 47 | 36% | 0.355 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.9 | -37.2 | 171.2 | -68.2 | -67.8 | -80.6 | 152.7 | -6.1 | 112.2 | V1077 R1078 L1083 G1084 L1085 I1090 D1103 | V1077-R1081 WeakPolarHBondContact O-CG 3.41Å; V1077-R1081 PolarHBondContact O-N 3.25Å; R1078-R1081 PolarHBondContact O-N 2.91Å; R1081-L1083 PolarHBondContact O-N 3.24Å; R1081-G1084 PolarHBondContact O-N 2.83Å; R1081-L1085 WeakPolarHBondContact CD-O 3.44Å; R1081-L1085 PolarHBondContact NH1-O 3.24Å; R1081-I1090 VanDerWaalsContact CD-CD1 3.47Å; R1081-I1090 HydrophobicContact CG-CD1 3.79Å; R1081-D1103 WeakPolarHBondContact CD-O 3.29Å; R1081-D1103 HydrophobicContact CG-CB 3.92Å; R1081-D1103 IonicContact CZ-OD1 3.51Å; R1081-D1103 IonicContact NE-OD1 2.69Å; R1081-D1103 PolarHBondContact NE-OD1 3.22Å; R1081-D1103 VanDerWaalsContact NE-OD1 3.11Å; R1081-D1103 IonicContact NH2-OD1 2.72Å |
| 1082 | E | 90.8 | Very high | 91.2 | Very high | 113 Ų | 113 | 47 Ų | 47 | 53% | 0.528 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.2 | -16.9 | 174.2 | -73.1 | -176.3 | -157.1 | 0 | 0 | 114.2 | T1053 K1057 R1078 G1079 Y1080 | T1053-E1082 HydrophobicContact CG2-CB 4.31Å; K1057-E1082 WeakPolarHBondContact CE-O 3.33Å; K1057-E1082 IonicContact NZ-OE2 2.83Å; K1057-E1082 PolarHBondContact NZ-OE2 2.8Å; R1078-E1082 WeakPolarHBondContact O-CG 3.49Å; R1078-E1082 PolarHBondContact O-N 2.85Å; R1078-E1082 VanDerWaalsContact O-N 3.08Å; G1079-E1082 WeakPolarHBondContact O-CB 3.39Å; G1079-E1082 PolarHBondContact O-N 2.84Å; Y1080-E1082 VanDerWaalsContact C-N 3.32Å; Y1080-E1082 PolarHBondContact O-N 3.13Å |
| 1083 | L | 90.1 | Very high | 91.1 | Very high | 38 Ų | 38 | 47.2 Ų | 47.2 | 20% | 0.199 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -7.9 | 170.9 | -66.3 | 170.1 | 0 | 0 | 0 | 112.5 | L1056 K1057 I1067 G1079 Y1080 R1081 | L1056-L1083 HydrophobicContact CB-CD1 3.85Å; L1056-L1083 HydrophobicContact CB-CD2 3.89Å; L1056-L1083 HydrophobicContact CD1-CD1 3.81Å; L1056-L1083 HydrophobicContact CG-CD1 4.47Å; K1057-L1083 HydrophobicContact CB-CD2 4.31Å; K1057-L1083 HydrophobicContact CG-CD2 3.45Å; K1057-L1083 VanDerWaalsContact CG-CD2 3.45Å; I1067-L1083 HydrophobicContact CD1-CD1 4.09Å; G1079-L1083 PolarHBondContact O-N 3.01Å; Y1080-L1083 HydrophobicContact CD1-CD1 3.99Å; Y1080-L1083 WeakPolarHBondContact O-CB 3.44Å; Y1080-L1083 PolarHBondContact O-N 2.94Å; Y1080-L1083 VanDerWaalsContact O-N 3.14Å; R1081-L1083 PolarHBondContact O-N 3.24Å |
| 1084 | G | 90.4 | Very high | 90.8 | Very high | 63 Ų | 63 | 47.8 Ų | 47.8 | 65% | 0.649 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | 14.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1081 | R1081-G1084 PolarHBondContact O-N 2.83Š|
| 1085 | L | 92.6 | Very high | 90.4 | Very high | 15 Ų | 15 | 56.3 Ų | 56.3 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | trans | -76.8 | 138.5 | 176.1 | -63.5 | 176.7 | 0 | 0 | 0 | 111.7 | I1067 A1070 Y1080 R1081 I1090 | I1067-L1085 HydrophobicContact CG2-CD1 3.98Å; I1067-L1085 HydrophobicContact CG2-CD2 4.25Å; I1067-L1085 WeakPolarHBondContact O-CD2 3.34Å; A1070-L1085 HydrophobicContact CB-CD1 3.64Å; Y1080-L1085 PolarHBondContact O-N 3.2Å; R1081-L1085 WeakPolarHBondContact CD-O 3.44Å; R1081-L1085 PolarHBondContact NH1-O 3.24Å; L1085-I1090 HydrophobicContact CB-CD1 3.94Å; L1085-I1090 HydrophobicContact CB-CG1 3.85Å; L1085-I1090 HydrophobicContact CD1-CG1 4.33Å | ||
| 1086 | D | 92 | Very high | 90.4 | Very high | 102 Ų | 102 | 49.9 Ų | 49.9 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | trans | -72.6 | 156.3 | 173 | -70.3 | -37.2 | 0 | 0 | 0 | 112.2 | D1088 H1089 I1090 | D1086-D1088 PolarHBondContact O-N 2.9Å; D1086-H1089 PolarHBondContact O-N 2.93Å; D1086-I1090 PolarHBondContact O-N 2.88Å | ||
| 1087 | S | 91.1 | Very high | 90.2 | Very high | 27 Ų | 27 | 52.4 Ų | 52.4 | 19% | 0.189 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -55.9 | -35.1 | -178.6 | 177.3 | 0 | 0 | 0 | 0 | 113 | H1089 I1090 P1102 C1104 T1105 | S1087-H1089 PolarHBondContact O-N 2.93Å; S1087-I1090 PolarHBondContact O-N 3.46Å; S1087-P1102 WeakPolarHBondContact CB-O 3.35Å; S1087-P1102 PolarHBondContact OG-O 3.27Å; S1087-C1104 CarbonylContact O-C 3.54Å; S1087-C1104 WeakPolarHBondContact O-CA 3.42Å; S1087-C1104 WeakPolarHBondContact OG-CA 3.26Å; S1087-C1104 PolarHBondContact OG-N 2.79Å; S1087-T1105 PolarHBondContact O-N 2.7Å; S1087-T1105 PolarHBondContact O-OG1 3.33Å |
| 1088 | D | 90.7 | Very high | 89.9 | Confident | 96 Ų | 96 | 60.7 Ų | 60.7 | 51% | 0.513 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -73.1 | -15.1 | -179.3 | -59.8 | -21.5 | 0 | 0 | 0 | 112.9 | D1086 V1126 | D1086-D1088 PolarHBondContact O-N 2.9Å; D1088-V1126 HydrophobicContact CB-CG2 4.49Å |
| 1089 | H | 93.6 | Very high | 89.8 | Confident | 32 Ų | 32 | 60.9 Ų | 60.9 | 15% | 0.148 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -100.7 | -0.7 | 179.7 | -66.6 | 81.8 | 0 | 0 | 0 | 112.8 | E1068 V1069 A1070 D1086 S1087 | E1068-H1089 WeakPolarHBondContact O-CB 3.48Å; E1068-H1089 PolarHBondContact O-CD2 2.89Å; V1069-H1089 WeakPolarHBondContact CA-O 3.37Å; A1070-H1089 PolarHBondContact N-O 2.93Å; D1086-H1089 PolarHBondContact O-N 2.93Å; S1087-H1089 PolarHBondContact O-N 2.93Å |
| 1090 | I | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 109.2 | 179 | -59.7 | 168.3 | 0 | 0 | 0 | 108.9 | V1077 Y1080 R1081 L1085 D1086 S1087 C1104 T1105 | V1077-I1090 HydrophobicContact CG2-CG2 4.42Å; Y1080-I1090 HydrophobicContact CD2-CG2 3.96Å; R1081-I1090 VanDerWaalsContact CD-CD1 3.47Å; R1081-I1090 HydrophobicContact CG-CD1 3.79Å; L1085-I1090 HydrophobicContact CB-CD1 3.94Å; L1085-I1090 HydrophobicContact CB-CG1 3.85Å; L1085-I1090 HydrophobicContact CD1-CG1 4.33Å; D1086-I1090 PolarHBondContact O-N 2.88Å; S1087-I1090 PolarHBondContact O-N 3.46Å; I1090-C1104 HydrophobicContact CB-CB 4Å; I1090-C1104 HydrophobicContact CG2-CB 3.63Å; I1090-C1104 CarbonylContact O-C 3.57Å; I1090-C1104 WeakPolarHBondContact O-CA 3.38Å; I1090-C1104 WeakPolarHBondContact O-CB 3.31Å; I1090-T1105 PolarHBondContact O-N 2.88Å |
| 1091 | F | 93.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 0% | 0.004 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 113.7 | 177.1 | -63.2 | -72.8 | 0 | 0 | 0 | 110.7 | V1069 A1070 Y1071 G1072 T1105 L1107 H1114 L1123 V1126 | V1069-F1091 HydrophobicContact CG1-CD2 3.52Å; V1069-F1091 HydrophobicContact CG1-CE2 3.52Å; A1070-F1091 PolarHBondContact O-N 2.95Å; Y1071-F1091 WeakPolarHBondContact CA-O 3.36Å; Y1071-F1091 HydrophobicContact CD1-CB 3.55Å; Y1071-F1091 HydrophobicContact CD1-CD2 4.4Å; Y1071-F1091 HydrophobicContact CD1-CG 4.3Å; Y1071-F1091 HydrophobicContact CD2-CD2 4.42Å; Y1071-F1091 HydrophobicContact CE1-CB 3.56Å; Y1071-F1091 AromaticContact CE1-CD2 3.85Å; Y1071-F1091 HydrophobicContact CE1-CD2 3.85Å; Y1071-F1091 AromaticContact CE1-CG 3.84Å; Y1071-F1091 HydrophobicContact CE1-CG 3.84Å; Y1071-F1091 AromaticContact CE2-CD2 3.84Å; Y1071-F1091 HydrophobicContact CE2-CD2 3.84Å; Y1071-F1091 HydrophobicContact CG-CB 4.19Å; Y1071-F1091 AromaticContact CZ-CD2 3.55Å; G1072-F1091 PolarHBondContact N-O 3.29Å; F1091-T1105 HydrophobicContact CD1-CG2 3.95Å; F1091-T1105 HydrophobicContact CE1-CG2 3.92Å; F1091-L1107 HydrophobicContact CB-CD1 4.06Å; F1091-L1107 HydrophobicContact CB-CG 4.28Å; F1091-L1107 HydrophobicContact CD1-CD2 3.99Å; F1091-H1114 AromaticContact CD1-CE1 3.65Å; F1091-H1114 AromaticContact CD1-NE2 3.8Å; F1091-H1114 AromaticContact CE1-CE1 3.49Å; F1091-H1114 VanDerWaalsContact CE1-CE1 3.49Å; F1091-H1114 WeakPolarHBondContact CE1-CE1 3.38Å; F1091-H1114 AromaticContact CE1-NE2 3.93Å; F1091-H1114 AromaticContact CG-NE2 3.96Å; F1091-H1114 AromaticContact CZ-CE1 3.98Å; F1091-L1123 HydrophobicContact CE1-CD1 3.98Å; F1091-L1123 HydrophobicContact CZ-CD1 4.05Å; F1091-V1126 HydrophobicContact CE2-CG1 4.17Å; F1091-V1126 HydrophobicContact CZ-CG1 4.2Å |
| 1092 | A | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | G1072 V1077 I1096 C1104 T1105 L1107 | G1072-A1092 CarbonylContact O-C 3.55Å; G1072-A1092 VanDerWaalsContact O-CA 3.29Å; G1072-A1092 WeakPolarHBondContact O-CA 3.29Å; V1077-A1092 HydrophobicContact CG2-CB 3.7Å; A1092-I1096 HydrophobicContact CB-CD1 3.39Å; A1092-I1096 HydrophobicContact CB-CG1 4.1Å; A1092-I1096 WeakPolarHBondContact O-CD1 3.46Å; A1092-C1104 HydrophobicContact CB-CB 4.24Å; A1092-T1105 PolarHBondContact N-O 3.2Å; A1092-T1105 VanDerWaalsContact N-O 3.08Å; A1092-L1107 PolarHBondContact O-N 2.99Å |
| 1093 | I | 88 | Confident | 89.3 | Confident | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 146.3 | 178.2 | -166.5 | 161.7 | 0 | 0 | 0 | 112.2 | R993 G1072 L1107 Y1111 | R993-I1093 VanDerWaalsContact CD-CD1 3.48Å; G1072-I1093 PolarHBondContact O-N 3.25Å; I1093-L1107 HydrophobicContact CB-CB 4.44Å; I1093-L1107 HydrophobicContact CG1-CB 4.44Å; I1093-Y1111 HydrophobicContact CD1-CD1 4.35Å; I1093-Y1111 HydrophobicContact CD1-CD2 3.57Å; I1093-Y1111 HydrophobicContact CD1-CE1 4.18Å; I1093-Y1111 HydrophobicContact CD1-CE2 3.37Å; I1093-Y1111 HydrophobicContact CD1-CG 4.07Å |
| 1094 | G | 83.5 | Confident | 89.4 | Confident | 28 Ų | 28 | 60.3 Ų | 60.3 | 29% | 0.289 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 95.8 | -161.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I1096 | G1094-I1096 PolarHBondContact O-N 2.92Š|
| 1095 | K | 80.9 | Confident | 89.5 | Confident | 207 Ų | 207 | 59.1 Ų | 59.1 | 90% | 0.9 | 31% | 0.305 | S | S | * | . | trans | -75.8 | 109 | -177.7 | -66.9 | -175.2 | -179.4 | -178.7 | 0 | 110.4 | ||||
| 1096 | I | 85.3 | Confident | 89.5 | Confident | 17 Ų | 17 | 60.4 Ų | 60.4 | 9% | 0.087 | 31% | 0.314 | C | S | . | . | trans | -102.7 | 130.8 | 178.6 | -65.1 | 155.4 | 0 | 0 | 0 | 109.4 | A1074 A1092 G1094 L1100 Q1101 P1106 | A1074-I1096 HydrophobicContact CB-CG1 4.14Å; A1092-I1096 HydrophobicContact CB-CD1 3.39Å; A1092-I1096 HydrophobicContact CB-CG1 4.1Å; A1092-I1096 WeakPolarHBondContact O-CD1 3.46Å; G1094-I1096 PolarHBondContact O-N 2.92Å; I1096-L1100 HydrophobicContact CG2-CB 3.97Å; I1096-Q1101 HydrophobicContact CG2-CG 4.15Å; I1096-P1106 HydrophobicContact CB-CB 4.44Å; I1096-P1106 VanDerWaalsContact CD1-CA 3.5Å; I1096-P1106 HydrophobicContact CD1-CB 3.38Å; I1096-P1106 HydrophobicContact CG1-CB 4.5Å | ||
| 1097 | S | 86.6 | Confident | 89.4 | Confident | 64 Ų | 64 | 56.2 Ų | 56.2 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | trans | -65.9 | 143.2 | 176.6 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | K1099 L1100 Q1101 | S1097-K1099 PolarHBondContact O-N 3.37Å; S1097-L1100 PolarHBondContact O-N 3.29Å; S1097-Q1101 PolarHBondContact O-N 3.36Å | ||
| 1098 | K | 85.9 | Confident | 89.1 | Confident | 176 Ų | 176 | 60.6 Ų | 60.6 | 77% | 0.765 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -27.4 | 175 | -65.5 | -173.9 | 178.1 | -174.8 | 0 | 113.3 | L1100 | K1098-L1100 VanDerWaalsContact C-N 3.34Š|
| 1099 | K | 87.5 | Confident | 88.8 | Confident | 183 Ų | 183 | 61 Ų | 61 | 80% | 0.796 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -25.3 | 177.3 | -65.2 | -173.8 | 178.5 | -176.3 | 0 | 114.2 | S1097 | S1097-K1099 PolarHBondContact O-N 3.37Š|
| 1100 | L | 88.6 | Confident | 88.5 | Confident | 24 Ų | 24 | 60.5 Ų | 60.5 | 13% | 0.126 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -10.7 | -177.2 | -73.6 | 163.6 | 0 | 0 | 0 | 112.8 | V1077 R1078 I1096 S1097 K1098 P1102 D1103 C1104 | V1077-L1100 HydrophobicContact CB-CD2 4.47Å; V1077-L1100 HydrophobicContact CG1-CD2 4.21Å; R1078-L1100 HydrophobicContact CG-CD2 4.05Å; I1096-L1100 HydrophobicContact CG2-CB 3.97Å; S1097-L1100 PolarHBondContact O-N 3.29Å; K1098-L1100 VanDerWaalsContact C-N 3.34Å; L1100-P1102 VanDerWaalsContact C-N 3.34Å; L1100-D1103 PolarHBondContact O-N 3.44Å; L1100-D1103 VanDerWaalsContact O-N 3.07Å; L1100-C1104 PolarHBondContact O-N 3.43Å; L1100-C1104 PolarHBondContact O-SG 3.36Å |
| 1101 | Q | 87.2 | Confident | 88.3 | Confident | 84 Ų | 84 | 60.7 Ų | 60.7 | 39% | 0.393 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -56.7 | -33.7 | 176 | -73.7 | -178 | -23.5 | 0 | 0 | 115.1 | I1096 S1097 D1103 | I1096-Q1101 HydrophobicContact CG2-CG 4.15Å; S1097-Q1101 PolarHBondContact O-N 3.36Å; Q1101-D1103 PolarHBondContact O-N 3.08Å |
| 1102 | P | 90.2 | Very high | 88 | Confident | 90 Ų | 90 | 63.4 Ų | 63.4 | 58% | 0.584 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -75.2 | -8.6 | 175.9 | 30.1 | -35.8 | 0 | 0 | 0 | 113.9 | S1087 L1100 | S1087-P1102 WeakPolarHBondContact CB-O 3.35Å; S1087-P1102 PolarHBondContact OG-O 3.27Å; L1100-P1102 VanDerWaalsContact C-N 3.34Å |
| 1103 | D | 91.5 | Very high | 87.8 | Confident | 48 Ų | 48 | 70.6 Ų | 70.6 | 26% | 0.257 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -104.6 | -3.8 | -177.2 | -72.4 | -47.2 | 0 | 0 | 0 | 113.3 | V1077 R1081 L1100 Q1101 | V1077-D1103 HydrophobicContact CG1-CB 3.78Å; R1081-D1103 WeakPolarHBondContact CD-O 3.29Å; R1081-D1103 HydrophobicContact CG-CB 3.92Å; R1081-D1103 IonicContact CZ-OD1 3.51Å; R1081-D1103 IonicContact NE-OD1 2.69Å; R1081-D1103 PolarHBondContact NE-OD1 3.22Å; R1081-D1103 VanDerWaalsContact NE-OD1 3.11Å; R1081-D1103 IonicContact NH2-OD1 2.72Å; L1100-D1103 PolarHBondContact O-N 3.44Å; L1100-D1103 VanDerWaalsContact O-N 3.07Å; Q1101-D1103 PolarHBondContact O-N 3.08Å |
| 1104 | C | 92.9 | Very high | 88 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.014 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -158.5 | 160.5 | 179.4 | 62.3 | 0 | 0 | 0 | 0 | 112.4 | V1077 S1087 I1090 A1092 L1100 P1106 | V1077-C1104 HydrophobicContact CG1-CB 3.84Å; V1077-C1104 HydrophobicContact CG2-CB 3.93Å; S1087-C1104 CarbonylContact O-C 3.54Å; S1087-C1104 WeakPolarHBondContact O-CA 3.42Å; S1087-C1104 WeakPolarHBondContact OG-CA 3.26Å; S1087-C1104 PolarHBondContact OG-N 2.79Å; I1090-C1104 HydrophobicContact CB-CB 4Å; I1090-C1104 HydrophobicContact CG2-CB 3.63Å; I1090-C1104 CarbonylContact O-C 3.57Å; I1090-C1104 WeakPolarHBondContact O-CA 3.38Å; I1090-C1104 WeakPolarHBondContact O-CB 3.31Å; A1092-C1104 HydrophobicContact CB-CB 4.24Å; L1100-C1104 PolarHBondContact O-N 3.43Å; L1100-C1104 PolarHBondContact O-SG 3.36Å; C1104-P1106 VanDerWaalsContact O-CD 3.27Å; C1104-P1106 WeakPolarHBondContact O-CD 3.03Å |
| 1105 | T | 92.2 | Very high | 88.3 | Confident | 37 Ų | 37 | 70 Ų | 70 | 23% | 0.227 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 110.8 | 168.9 | -58.7 | 0 | 0 | 0 | 0 | 110.4 | S1087 I1090 F1091 A1092 | S1087-T1105 PolarHBondContact O-N 2.7Å; S1087-T1105 PolarHBondContact O-OG1 3.33Å; I1090-T1105 PolarHBondContact O-N 2.88Å; F1091-T1105 HydrophobicContact CD1-CG2 3.95Å; F1091-T1105 HydrophobicContact CE1-CG2 3.92Å; A1092-T1105 PolarHBondContact N-O 3.2Å; A1092-T1105 VanDerWaalsContact N-O 3.08Å |
| 1106 | P | 91.2 | Very high | 88.6 | Confident | 43 Ų | 43 | 63.1 Ų | 63.1 | 28% | 0.279 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 123.2 | -177.6 | 31.6 | -35.3 | 0 | 0 | 0 | 112.5 | I1096 C1104 L1108 | I1096-P1106 HydrophobicContact CB-CB 4.44Å; I1096-P1106 VanDerWaalsContact CD1-CA 3.5Å; I1096-P1106 HydrophobicContact CD1-CB 3.38Å; I1096-P1106 HydrophobicContact CG1-CB 4.5Å; C1104-P1106 VanDerWaalsContact O-CD 3.27Å; C1104-P1106 WeakPolarHBondContact O-CD 3.03Å; P1106-L1108 HydrophobicContact CB-CD2 4.44Å; P1106-L1108 HydrophobicContact CB-CG 4.29Å; P1106-L1108 PolarHBondContact O-N 3.29Å |
| 1107 | L | 90.3 | Very high | 88.8 | Confident | 14 Ų | 14 | 63.8 Ų | 63.8 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 70.9 | 174.4 | -57.3 | -173.7 | 0 | 0 | 0 | 111.2 | Y1071 F1091 A1092 I1093 D1109 G1110 Y1111 H1114 | Y1071-L1107 HydrophobicContact CD1-CD1 4.4Å; Y1071-L1107 HydrophobicContact CE1-CD1 4.15Å; F1091-L1107 HydrophobicContact CB-CD1 4.06Å; F1091-L1107 HydrophobicContact CB-CG 4.28Å; F1091-L1107 HydrophobicContact CD1-CD2 3.99Å; A1092-L1107 PolarHBondContact O-N 2.99Å; I1093-L1107 HydrophobicContact CB-CB 4.44Å; I1093-L1107 HydrophobicContact CG1-CB 4.44Å; L1107-D1109 VanDerWaalsContact C-N 3.34Å; L1107-D1109 PolarHBondContact O-N 3.44Å; L1107-G1110 PolarHBondContact O-N 3.04Å; L1107-Y1111 HydrophobicContact CD1-CD1 4.02Å; L1107-Y1111 HydrophobicContact CD1-CE1 3.9Å; L1107-H1114 HydrophobicContact CD1-CB 4.22Å; L1107-H1114 HydrophobicContact CD2-CB 4.05Å; L1107-H1114 WeakPolarHBondContact CD2-ND1 3.37Å |
| 1108 | L | 85.1 | Confident | 88.9 | Confident | 118 Ų | 118 | 60.9 Ų | 60.9 | 62% | 0.618 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -33.7 | -176.8 | -63.9 | 176.6 | 0 | 0 | 0 | 113.2 | P1106 | P1106-L1108 HydrophobicContact CB-CD2 4.44Å; P1106-L1108 HydrophobicContact CB-CG 4.29Å; P1106-L1108 PolarHBondContact O-N 3.29Å |
| 1109 | D | 85.1 | Confident | 88.8 | Confident | 105 Ų | 105 | 59.2 Ų | 59.2 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 8.9 | -177.7 | -61.6 | -41.4 | 0 | 0 | 0 | 114 | L1107 R1113 | L1107-D1109 VanDerWaalsContact C-N 3.34Å; L1107-D1109 PolarHBondContact O-N 3.44Å; D1109-R1113 HydrophobicContact CB-CB 3.98Å; D1109-R1113 HydrophobicContact CB-CG 4.39Å; D1109-R1113 IonicContact OD1-NH1 3.5Å; D1109-R1113 PolarHBondContact OD1-NH1 3.41Å; D1109-R1113 WeakPolarHBondContact OD2-CD 3.31Å; D1109-R1113 IonicContact OD2-CZ 3.47Å; D1109-R1113 IonicContact OD2-NE 3.44Å; D1109-R1113 IonicContact OD2-NH1 2.7Å; D1109-R1113 PolarHBondContact OD2-NH1 2.93Å |
| 1110 | G | 86.5 | Confident | 88.8 | Confident | 22 Ų | 22 | 56 Ų | 56 | 23% | 0.227 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | 76.8 | -178.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1107 S1112 H1114 | L1107-G1110 PolarHBondContact O-N 3.04Å; G1110-S1112 PolarHBondContact O-N 3.04Å; G1110-H1114 PolarHBondContact O-N 3.42Å |
| 1111 | Y | 89.9 | Confident | 88.3 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -71.7 | -26.7 | -172.7 | -70.7 | -63.1 | 0 | 0 | 0 | 114.3 | S978 R993 P994 A996 V999 Y1071 I1093 L1107 R1113 H1114 L1115 | S978-Y1111 WeakPolarHBondContact O-CE2 3.31Å; S978-Y1111 PolarHBondContact O-OH 3.2Å; R993-Y1111 HydrophobicContact CB-CD2 3.96Å; R993-Y1111 HydrophobicContact CB-CE2 4.25Å; P994-Y1111 WeakPolarHBondContact O-CB 3.29Å; A996-Y1111 HydrophobicContact CB-CD2 3.56Å; A996-Y1111 HydrophobicContact CB-CE2 3.74Å; A996-Y1111 HydrophobicContact CB-CG 4.36Å; V999-Y1111 HydrophobicContact CB-CD1 4.37Å; V999-Y1111 HydrophobicContact CG1-CD1 4.42Å; V999-Y1111 HydrophobicContact CG2-CD1 3.93Å; V999-Y1111 HydrophobicContact CG2-CG 4.3Å; Y1071-Y1111 AromaticContact CD1-CE1 3.82Å; Y1071-Y1111 HydrophobicContact CD1-CE1 3.82Å; Y1071-Y1111 HydrophobicContact CE1-CE1 4.06Å; I1093-Y1111 HydrophobicContact CD1-CD1 4.35Å; I1093-Y1111 HydrophobicContact CD1-CD2 3.57Å; I1093-Y1111 HydrophobicContact CD1-CE1 4.18Å; I1093-Y1111 HydrophobicContact CD1-CE2 3.37Å; I1093-Y1111 HydrophobicContact CD1-CG 4.07Å; L1107-Y1111 HydrophobicContact CD1-CD1 4.02Å; L1107-Y1111 HydrophobicContact CD1-CE1 3.9Å; Y1111-R1113 PolarHBondContact O-N 3.26Å; Y1111-H1114 PolarHBondContact O-N 3.11Å; Y1111-L1115 VanDerWaalsContact O-CB 3.3Å; Y1111-L1115 WeakPolarHBondContact O-CB 3.22Å; Y1111-L1115 PolarHBondContact O-N 2.99Å |
| 1112 | S | 87.5 | Confident | 88 | Confident | 59 Ų | 59 | 59.2 Ų | 59.2 | 41% | 0.413 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | -177.9 | -51.6 | 0 | 0 | 0 | 0 | 112.3 | G1110 S1116 | G1110-S1112 PolarHBondContact O-N 3.04Å; S1112-S1116 PolarHBondContact O-N 3.03Å; S1112-S1116 PolarHBondContact O-OG 3.45Å |
| 1113 | R | 88 | Confident | 87.5 | Confident | 151 Ų | 151 | 57.6 Ų | 57.6 | 57% | 0.57 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -70.3 | -39.1 | 174.9 | -163.8 | 178.5 | -131.8 | 146.3 | 9.7 | 111.3 | D1109 Y1111 S1116 S1117 | D1109-R1113 HydrophobicContact CB-CB 3.98Å; D1109-R1113 HydrophobicContact CB-CG 4.39Å; D1109-R1113 IonicContact OD1-NH1 3.5Å; D1109-R1113 PolarHBondContact OD1-NH1 3.41Å; D1109-R1113 WeakPolarHBondContact OD2-CD 3.31Å; D1109-R1113 IonicContact OD2-CZ 3.47Å; D1109-R1113 IonicContact OD2-NE 3.44Å; D1109-R1113 IonicContact OD2-NH1 2.7Å; D1109-R1113 PolarHBondContact OD2-NH1 2.93Å; Y1111-R1113 PolarHBondContact O-N 3.26Å; R1113-S1116 WeakPolarHBondContact O-CB 3.33Å; R1113-S1116 PolarHBondContact O-N 3.19Å; R1113-S1117 PolarHBondContact O-N 3.32Å; R1113-S1117 PolarHBondContact O-OG 3.15Å |
| 1114 | H | 91.9 | Very high | 86.4 | Confident | 10 Ų | 10 | 59.3 Ų | 59.3 | 5% | 0.046 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.5 | -48 | 175.1 | -169.8 | 47.5 | 0 | 0 | 0 | 112 | Y1071 F1091 L1107 G1110 Y1111 S1116 S1117 L1118 | Y1071-H1114 AromaticContact CE1-CD2 3.73Å; Y1071-H1114 AromaticContact CE1-NE2 3.63Å; Y1071-H1114 AromaticContact CZ-NE2 3.69Å; Y1071-H1114 PolarHBondContact OH-CD2 3.23Å; Y1071-H1114 PolarHBondContact OH-NE2 3.42Å; F1091-H1114 AromaticContact CD1-CE1 3.65Å; F1091-H1114 AromaticContact CD1-NE2 3.8Å; F1091-H1114 AromaticContact CE1-CE1 3.49Å; F1091-H1114 VanDerWaalsContact CE1-CE1 3.49Å; F1091-H1114 WeakPolarHBondContact CE1-CE1 3.38Å; F1091-H1114 AromaticContact CE1-NE2 3.93Å; F1091-H1114 AromaticContact CG-NE2 3.96Å; F1091-H1114 AromaticContact CZ-CE1 3.98Å; L1107-H1114 HydrophobicContact CD1-CB 4.22Å; L1107-H1114 HydrophobicContact CD2-CB 4.05Å; L1107-H1114 WeakPolarHBondContact CD2-ND1 3.37Å; G1110-H1114 PolarHBondContact O-N 3.42Å; Y1111-H1114 PolarHBondContact O-N 3.11Å; H1114-S1116 VanDerWaalsContact C-N 3.28Å; H1114-S1116 PolarHBondContact O-N 2.65Å; H1114-S1117 CarbonylContact O-C 3.47Å; H1114-S1117 WeakPolarHBondContact O-CA 3.29Å; H1114-S1117 WeakPolarHBondContact O-CB 3.32Å; H1114-S1117 PolarHBondContact O-N 3.41Å; H1114-L1118 WeakPolarHBondContact O-CG 3.38Å; H1114-L1118 PolarHBondContact O-N 2.89Å |
| 1115 | L | 89.7 | Confident | 85.4 | Confident | 13 Ų | 13 | 66.2 Ų | 66.2 | 7% | 0.068 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59 | -40.7 | 177.7 | -179.1 | 65.5 | 0 | 0 | 0 | 111.8 | A995 D998 V999 F1002 Y1111 S1117 L1118 R1119 | A995-L1115 HydrophobicContact CB-CD2 4.12Å; D998-L1115 HydrophobicContact CB-CD1 4.48Å; D998-L1115 HydrophobicContact CB-CD2 3.56Å; V999-L1115 HydrophobicContact CG2-CB 3.94Å; V999-L1115 HydrophobicContact CG2-CD1 4.14Å; F1002-L1115 HydrophobicContact CB-CD1 4.14Å; Y1111-L1115 VanDerWaalsContact O-CB 3.3Å; Y1111-L1115 WeakPolarHBondContact O-CB 3.22Å; Y1111-L1115 PolarHBondContact O-N 2.99Å; L1115-S1117 VanDerWaalsContact C-N 3.31Å; L1115-L1118 PolarHBondContact O-N 3.46Å; L1115-R1119 HydrophobicContact CD1-CG 4.49Å; L1115-R1119 WeakPolarHBondContact O-CB 3.5Å; L1115-R1119 WeakPolarHBondContact O-CG 3.33Å; L1115-R1119 PolarHBondContact O-N 3.34Å |
| 1116 | S | 88.3 | Confident | 84.8 | Confident | 62 Ų | 62 | 64.6 Ų | 64.6 | 43% | 0.434 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 174.7 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | S1112 R1113 H1114 R1119 N1120 | S1112-S1116 PolarHBondContact O-N 3.03Å; S1112-S1116 PolarHBondContact O-OG 3.45Å; R1113-S1116 WeakPolarHBondContact O-CB 3.33Å; R1113-S1116 PolarHBondContact O-N 3.19Å; H1114-S1116 VanDerWaalsContact C-N 3.28Å; H1114-S1116 PolarHBondContact O-N 2.65Å; S1116-R1119 PolarHBondContact O-N 2.77Å; S1116-N1120 WeakPolarHBondContact O-CB 3.41Å; S1116-N1120 PolarHBondContact O-N 2.74Å; S1116-N1120 PolarHBondContact O-ND2 2.86Å |
| 1117 | S | 87.7 | Confident | 84.5 | Confident | 32 Ų | 32 | 63.2 Ų | 63.2 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 178.1 | -47.4 | 0 | 0 | 0 | 0 | 112.1 | R1113 H1114 L1115 N1121 D1122 | R1113-S1117 PolarHBondContact O-N 3.32Å; R1113-S1117 PolarHBondContact O-OG 3.15Å; H1114-S1117 CarbonylContact O-C 3.47Å; H1114-S1117 WeakPolarHBondContact O-CA 3.29Å; H1114-S1117 WeakPolarHBondContact O-CB 3.32Å; H1114-S1117 PolarHBondContact O-N 3.41Å; L1115-S1117 VanDerWaalsContact C-N 3.31Å; S1117-N1121 PolarHBondContact O-N 2.87Å; S1117-D1122 WeakPolarHBondContact CA-OD2 3.32Å; S1117-D1122 WeakPolarHBondContact O-CB 3.24Å; S1117-D1122 PolarHBondContact O-N 3.23Å |
| 1118 | L | 89.3 | Confident | 84.4 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 174.6 | -67.7 | 175.1 | 0 | 0 | 0 | 111.7 | V999 F1002 W1003 H1114 L1115 N1121 L1123 T1127 | V999-L1118 HydrophobicContact CG1-CD1 4.27Å; F1002-L1118 HydrophobicContact CD1-CB 4.23Å; F1002-L1118 HydrophobicContact CD1-CD1 3.94Å; F1002-L1118 HydrophobicContact CE1-CB 3.79Å; F1002-L1118 HydrophobicContact CE1-CD1 4.11Å; F1002-L1118 HydrophobicContact CE1-CD2 4.32Å; F1002-L1118 HydrophobicContact CE1-CG 4.3Å; F1002-L1118 HydrophobicContact CE2-CB 4.33Å; F1002-L1118 HydrophobicContact CZ-CB 3.84Å; W1003-L1118 HydrophobicContact CZ2-CD2 4.09Å; H1114-L1118 WeakPolarHBondContact O-CG 3.38Å; H1114-L1118 PolarHBondContact O-N 2.89Å; L1115-L1118 PolarHBondContact O-N 3.46Å; L1118-N1121 PolarHBondContact O-N 3.13Å; L1118-L1123 HydrophobicContact CD2-CD1 4.29Å; L1118-T1127 HydrophobicContact CB-CG2 4.35Å; L1118-T1127 HydrophobicContact CD2-CG2 3.37Å; L1118-T1127 HydrophobicContact CG-CG2 4.45Å |
| 1119 | R | 85.2 | Confident | 84.5 | Confident | 142 Ų | 142 | 63.8 Ų | 63.8 | 54% | 0.536 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.4 | -38.1 | 179.4 | -75.9 | 178.6 | 174.1 | -176.3 | -0.7 | 113.1 | F1002 L1115 S1116 N1121 | F1002-R1119 HydrophobicContact CD2-CG 4.39Å; F1002-R1119 HydrophobicContact CE2-CG 4.39Å; L1115-R1119 HydrophobicContact CD1-CG 4.49Å; L1115-R1119 WeakPolarHBondContact O-CB 3.5Å; L1115-R1119 WeakPolarHBondContact O-CG 3.33Å; L1115-R1119 PolarHBondContact O-N 3.34Å; S1116-R1119 PolarHBondContact O-N 2.77Å; R1119-N1121 PolarHBondContact O-N 2.91Å |
| 1120 | N | 86.2 | Confident | 84.5 | Confident | 114 Ų | 114 | 59 Ų | 59 | 61% | 0.61 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -72 | -7.5 | 175 | -68.9 | -13.2 | 0 | 0 | 0 | 112.7 | S1116 D1122 | S1116-N1120 WeakPolarHBondContact O-CB 3.41Å; S1116-N1120 PolarHBondContact O-N 2.74Å; S1116-N1120 PolarHBondContact O-ND2 2.86Å; N1120-D1122 VanDerWaalsContact C-N 3.3Å |
| 1121 | N | 78 | Confident | 84.4 | Confident | 79 Ų | 79 | 62.8 Ų | 62.8 | 42% | 0.422 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 34.1 | -178.6 | -144.3 | 9.9 | 0 | 0 | 0 | 112.3 | S1117 L1118 R1119 L1123 T1127 | S1117-N1121 PolarHBondContact O-N 2.87Å; L1118-N1121 PolarHBondContact O-N 3.13Å; R1119-N1121 PolarHBondContact O-N 2.91Å; N1121-L1123 PolarHBondContact O-N 3.44Å; N1121-T1127 PolarHBondContact OD1-OG1 3.07Å |
| 1122 | D | 80.3 | Confident | 83.9 | Confident | 97 Ų | 97 | 64.9 Ų | 64.9 | 52% | 0.519 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -68.8 | -16.3 | 179.7 | -64.2 | -24 | 0 | 0 | 0 | 112.3 | S1117 N1120 P1124 | S1117-D1122 WeakPolarHBondContact CA-OD2 3.32Å; S1117-D1122 WeakPolarHBondContact O-CB 3.24Å; S1117-D1122 PolarHBondContact O-N 3.23Å; N1120-D1122 VanDerWaalsContact C-N 3.3Å; D1122-P1124 VanDerWaalsContact O-CD 3.26Å; D1122-P1124 WeakPolarHBondContact O-CD 3.32Å |
| 1123 | L | 80.2 | Confident | 83.3 | Confident | 56 Ų | 56 | 70.1 Ų | 70.1 | 29% | 0.293 | 37% | 0.37 | S | S | . | . | trans | -116.6 | 60.1 | 178.6 | -66.7 | 170.4 | 0 | 0 | 0 | 111.7 | F1091 L1118 N1121 L1125 V1126 T1127 | F1091-L1123 HydrophobicContact CE1-CD1 3.98Å; F1091-L1123 HydrophobicContact CZ-CD1 4.05Å; L1118-L1123 HydrophobicContact CD2-CD1 4.29Å; N1121-L1123 PolarHBondContact O-N 3.44Å; L1123-L1125 PolarHBondContact O-N 2.9Å; L1123-L1125 VanDerWaalsContact O-N 3.11Å; L1123-V1126 HydrophobicContact CB-CB 4.48Å; L1123-V1126 PolarHBondContact O-N 3.16Å; L1123-T1127 PolarHBondContact O-N 2.87Å; L1123-T1127 PolarHBondContact O-OG1 2.86Å | ||
| 1124 | P | 69.6 | Low | 82.5 | Confident | 85 Ų | 85 | 63.3 Ų | 63.3 | 55% | 0.552 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -22.6 | -167.5 | 27.5 | -36.2 | 0 | 0 | 0 | 114.3 | D1122 V1126 | D1122-P1124 VanDerWaalsContact O-CD 3.26Å; D1122-P1124 WeakPolarHBondContact O-CD 3.32Å; P1124-V1126 VanDerWaalsContact C-N 3.27Å; P1124-V1126 PolarHBondContact O-N 2.65Å |
| 1125 | L | 70.2 | Confident | 81.5 | Confident | 146 Ų | 146 | 65.1 Ų | 65.1 | 76% | 0.764 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -23.9 | 173.9 | -88.4 | 89.6 | 0 | 0 | 0 | 112.8 | L1123 | L1123-L1125 PolarHBondContact O-N 2.9Å; L1123-L1125 VanDerWaalsContact O-N 3.11Å |
| 1126 | V | 80.9 | Confident | 80.4 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.024 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -40.4 | -173.7 | -168.5 | 0 | 0 | 0 | 0 | 110.7 | W1003 V1069 D1088 F1091 L1123 P1124 R1128 | W1003-V1126 HydrophobicContact CH2-CG1 4.07Å; V1069-V1126 HydrophobicContact CG2-CG1 3.68Å; D1088-V1126 HydrophobicContact CB-CG2 4.49Å; F1091-V1126 HydrophobicContact CE2-CG1 4.17Å; F1091-V1126 HydrophobicContact CZ-CG1 4.2Å; L1123-V1126 HydrophobicContact CB-CB 4.48Å; L1123-V1126 PolarHBondContact O-N 3.16Å; P1124-V1126 VanDerWaalsContact C-N 3.27Å; P1124-V1126 PolarHBondContact O-N 2.65Å; V1126-R1128 PolarHBondContact O-N 2.69Å; V1126-R1128 VanDerWaalsContact O-N 3.08Å |
| 1127 | T | 84.5 | Confident | 79.4 | Confident | 13 Ų | 13 | 65.4 Ų | 65.4 | 8% | 0.08 | 35% | 0.354 | C | S | . | . | trans | -84.2 | 81.5 | -177.2 | 47.8 | 0 | 0 | 0 | 0 | 112.5 | F1002 W1003 L1118 N1121 L1123 | F1002-T1127 HydrophobicContact CE1-CG2 4.1Å; F1002-T1127 HydrophobicContact CZ-CG2 4.19Å; W1003-T1127 HydrophobicContact CH2-CG2 4.24Å; L1118-T1127 HydrophobicContact CB-CG2 4.35Å; L1118-T1127 HydrophobicContact CD2-CG2 3.37Å; L1118-T1127 HydrophobicContact CG-CG2 4.45Å; N1121-T1127 PolarHBondContact OD1-OG1 3.07Å; L1123-T1127 PolarHBondContact O-N 2.87Å; L1123-T1127 PolarHBondContact O-OG1 2.86Å | ||
| 1128 | R | 88.7 | Confident | 78.3 | Confident | 68 Ų | 68 | 64 Ų | 64 | 26% | 0.257 | 35% | 0.345 | S | S | . | . | trans | -123.5 | 153.7 | 169.9 | 65.7 | 174.8 | 179 | 85.7 | -3.9 | 111.7 | E969 Y1008 E1068 V1126 | E969-R1128 IonicContact OE1-CZ 3.6Å; E969-R1128 IonicContact OE1-NH1 3.28Å; E969-R1128 PolarHBondContact OE1-NH1 3.02Å; E969-R1128 IonicContact OE1-NH2 3.28Å; E969-R1128 PolarHBondContact OE1-NH2 2.77Å; E969-R1128 IonicContact OE2-CZ 3.84Å; E969-R1128 IonicContact OE2-NH1 2.94Å; E969-R1128 PolarHBondContact OE2-NH1 3.34Å; E969-R1128 IonicContact OE2-NH2 2.92Å; Y1008-R1128 WeakPolarHBondContact CE2-O 3.49Å; Y1008-R1128 WeakPolarHBondContact OH-CG 3.35Å; Y1008-R1128 PolarHBondContact OH-O 3Å; E1068-R1128 VanDerWaalsContact CD-NH2 3.27Å; E1068-R1128 IonicContact OE1-CZ 3.53Å; E1068-R1128 IonicContact OE1-NE 2.66Å; E1068-R1128 IonicContact OE1-NH2 3.78Å; E1068-R1128 PolarHBondContact OE1-NH2 3.14Å; E1068-R1128 IonicContact OE2-NH2 3.52Å; V1126-R1128 PolarHBondContact O-N 2.69Å; V1126-R1128 VanDerWaalsContact O-N 3.08Å | ||
| 1129 | P | 86 | Confident | 76.8 | Confident | 77 Ų | 77 | 68.9 Ų | 68.9 | 50% | 0.5 | 37% | 0.368 | S | S | . | . | trans | -56.1 | 144.2 | 166.2 | -22.4 | 33.8 | 0 | 0 | 0 | 111.1 | L1006 | L1006-P1129 HydrophobicContact CD2-CG 4.34Š| ||
| 1130 | A | 86.5 | Confident | 75.3 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 4% | 0.041 | 37% | 0.365 | C | S | . | . | trans | -58.5 | 149.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | E969 L1006 G1007 Y1008 Q1135 | E969-A1130 HydrophobicContact CB-CB 4.37Å; E969-A1130 WeakPolarHBondContact OE2-CA 3.49Å; L1006-A1130 PolarHBondContact O-N 3.31Å; G1007-A1130 WeakPolarHBondContact O-CB 3.49Å; Y1008-A1130 HydrophobicContact CD1-CB 3.99Å; Y1008-A1130 HydrophobicContact CD2-CB 3.98Å; Y1008-A1130 HydrophobicContact CE1-CB 4.01Å; Y1008-A1130 HydrophobicContact CE2-CB 4.01Å; Y1008-A1130 HydrophobicContact CG-CB 3.97Å; A1130-Q1135 HydrophobicContact CB-CG 4.27Å; A1130-Q1135 PolarHBondContact O-NE2 2.85Å | ||
| 1131 | V | 83.3 | Confident | 73.7 | Confident | 101 Ų | 101 | 63 Ų | 63 | 61% | 0.612 | 34% | 0.337 | S | S | * | . | trans | -120.7 | 147.2 | 179 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | E969 | E969-V1131 PolarHBondContact OE2-N 3.35Š| ||
| 1132 | G | 79.5 | Confident | 72.4 | Confident | 46 Ų | 46 | 64 Ų | 64 | 47% | 0.474 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 105.3 | -179.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | G1134 | G1132-G1134 PolarHBondContact O-N 3.49Š|
| 1133 | K | 74.4 | Confident | 70.5 | Confident | 170 Ų | 170 | 66.5 Ų | 66.5 | 74% | 0.739 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -13.9 | -172.8 | -65.5 | -178.3 | -179.3 | 178.2 | 0 | 113.7 | P965 Q1135 V1136 | P965-K1133 HydrophobicContact CB-CB 4.02Å; P965-K1133 HydrophobicContact CG-CB 3.86Å; K1133-Q1135 VanDerWaalsContact C-N 3.28Å; K1133-Q1135 PolarHBondContact O-N 2.94Å; K1133-V1136 PolarHBondContact O-N 3.24Å |
| 1134 | G | 71.3 | Confident | 68.7 | Low | 7 Ų | 7 | 65.6 Ų | 65.6 | 7% | 0.072 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -26.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G1132 V1136 V1137 V1138 | G1132-G1134 PolarHBondContact O-N 3.49Å; G1134-V1136 PolarHBondContact O-N 3.12Å; G1134-V1136 VanDerWaalsContact O-N 3.14Å; G1134-V1137 WeakPolarHBondContact O-CB 3.42Å; G1134-V1137 PolarHBondContact O-N 3.39Å; G1134-V1138 PolarHBondContact O-N 3.01Å |
| 1135 | Q | 72.4 | Confident | 67.5 | Low | 49 Ų | 49 | 62 Ų | 62 | 23% | 0.229 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.8 | -33.8 | 177.9 | -70.4 | -170.6 | -32.1 | 0 | 0 | 113 | A1130 K1133 V1137 V1138 Q1139 | A1130-Q1135 HydrophobicContact CB-CG 4.27Å; A1130-Q1135 PolarHBondContact O-NE2 2.85Å; K1133-Q1135 VanDerWaalsContact C-N 3.28Å; K1133-Q1135 PolarHBondContact O-N 2.94Å; Q1135-V1137 VanDerWaalsContact C-N 3.26Å; Q1135-V1137 PolarHBondContact O-N 3.28Å; Q1135-V1138 PolarHBondContact O-N 3.33Å; Q1135-Q1139 WeakPolarHBondContact O-CG 3.4Å; Q1135-Q1139 PolarHBondContact O-N 3.32Å |
| 1136 | V | 65.4 | Low | 66.2 | Low | 76 Ų | 76 | 57.4 Ų | 57.4 | 46% | 0.461 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.8 | -35.5 | -179.7 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | K1133 G1134 R1140 | K1133-V1136 PolarHBondContact O-N 3.24Å; G1134-V1136 PolarHBondContact O-N 3.12Å; G1134-V1136 VanDerWaalsContact O-N 3.14Å; V1136-R1140 WeakPolarHBondContact O-CG 3.45Å; V1136-R1140 PolarHBondContact O-N 3.11Å |
| 1137 | V | 67.6 | Low | 64.1 | Low | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.024 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.1 | -43.1 | 178.2 | -174 | 0 | 0 | 0 | 0 | 110.3 | V941 L943 L964 G1134 Q1135 R1140 S1141 | V941-V1137 HydrophobicContact CG1-CG2 3.53Å; L943-V1137 HydrophobicContact CD1-CG1 4.06Å; L943-V1137 HydrophobicContact CD2-CG1 3.73Å; L943-V1137 HydrophobicContact CG-CG1 3.57Å; L964-V1137 HydrophobicContact CD2-CB 4.32Å; L964-V1137 HydrophobicContact CD2-CG1 3.84Å; L964-V1137 HydrophobicContact CD2-CG2 4.27Å; G1134-V1137 WeakPolarHBondContact O-CB 3.42Å; G1134-V1137 PolarHBondContact O-N 3.39Å; Q1135-V1137 VanDerWaalsContact C-N 3.26Å; Q1135-V1137 PolarHBondContact O-N 3.28Å; V1137-R1140 PolarHBondContact O-N 3.34Å; V1137-S1141 PolarHBondContact O-N 2.97Å |
| 1138 | V | 65 | Low | 62 | Low | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.5 | -39.2 | 179.3 | -179 | 0 | 0 | 0 | 0 | 111.6 | Q1004 L1009 G1134 Q1135 R1140 S1141 R1142 | Q1004-V1138 HydrophobicContact CG-CG1 4.21Å; L1009-V1138 HydrophobicContact CB-CG2 4.08Å; L1009-V1138 HydrophobicContact CD1-CG2 4.44Å; G1134-V1138 PolarHBondContact O-N 3.01Å; Q1135-V1138 PolarHBondContact O-N 3.33Å; V1138-R1140 VanDerWaalsContact C-N 3.35Å; V1138-R1140 PolarHBondContact O-N 2.94Å; V1138-S1141 PolarHBondContact O-N 3.28Å; V1138-S1141 VanDerWaalsContact O-N 3.15Å; V1138-S1141 PolarHBondContact O-OG 3.46Å; V1138-R1142 WeakPolarHBondContact O-CG 3.31Å; V1138-R1142 PolarHBondContact O-N 3.23Å |
| 1139 | Q | 57.9 | Low | 59.6 | Low | 105 Ų | 105 | 61 Ų | 61 | 49% | 0.491 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 174.8 | -77.2 | -179.1 | -21.5 | 0 | 0 | 112 | Q1135 S1141 R1142 | Q1135-Q1139 WeakPolarHBondContact O-CG 3.4Å; Q1135-Q1139 PolarHBondContact O-N 3.32Å; Q1139-S1141 VanDerWaalsContact C-N 3.29Å; Q1139-S1141 PolarHBondContact O-N 3.48Å; Q1139-R1142 PolarHBondContact O-N 3.42Å |
| 1140 | R | 52.9 | Low | 57.3 | Low | 126 Ų | 126 | 58.7 Ų | 58.7 | 48% | 0.475 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.1 | -34.8 | 172.2 | -75.8 | -179.5 | 174.6 | -179.7 | -2.6 | 112.1 | V1136 V1137 V1138 R1142 S1144 | V1136-R1140 WeakPolarHBondContact O-CG 3.45Å; V1136-R1140 PolarHBondContact O-N 3.11Å; V1137-R1140 PolarHBondContact O-N 3.34Å; V1138-R1140 VanDerWaalsContact C-N 3.35Å; V1138-R1140 PolarHBondContact O-N 2.94Å; R1140-R1142 VanDerWaalsContact C-N 3.31Å; R1140-R1142 PolarHBondContact O-N 3.4Å; R1140-S1144 WeakPolarHBondContact O-CB 3.44Å; R1140-S1144 PolarHBondContact O-N 2.84Å; R1140-S1144 PolarHBondContact O-OG 3.41Å; R1140-S1144 VanDerWaalsContact O-OG 3.04Å |
| 1141 | S | 53.9 | Low | 54.9 | Low | 5 Ų | 5 | 60.4 Ų | 60.4 | 4% | 0.035 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.5 | -30.8 | 178.5 | 80.1 | 0 | 0 | 0 | 0 | 113.3 | V1137 V1138 Q1139 | V1137-S1141 PolarHBondContact O-N 2.97Å; V1138-S1141 PolarHBondContact O-N 3.28Å; V1138-S1141 VanDerWaalsContact O-N 3.15Å; V1138-S1141 PolarHBondContact O-OG 3.46Å; Q1139-S1141 VanDerWaalsContact C-N 3.29Å; Q1139-S1141 PolarHBondContact O-N 3.48Å |
| 1142 | R | 50.1 | Low | 52.7 | Low | 101 Ų | 101 | 57.5 Ų | 57.5 | 38% | 0.381 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.4 | -38.3 | -180 | -66.7 | -172.5 | -162.8 | -178.9 | 15.7 | 113.3 | Q1004 D1005 V1138 Q1139 R1140 | Q1004-R1142 PolarHBondContact O-NH2 3.38Å; D1005-R1142 PolarHBondContact O-NH2 2.89Å; D1005-R1142 IonicContact OD1-CZ 3.58Å; D1005-R1142 IonicContact OD1-NH1 3.1Å; D1005-R1142 PolarHBondContact OD1-NH1 3.04Å; V1138-R1142 WeakPolarHBondContact O-CG 3.31Å; V1138-R1142 PolarHBondContact O-N 3.23Å; Q1139-R1142 PolarHBondContact O-N 3.42Å; R1140-R1142 VanDerWaalsContact C-N 3.31Å; R1140-R1142 PolarHBondContact O-N 3.4Å |
| 1143 | L | 40.4 | Very low | 50.6 | Low | 150 Ų | 150 | 61.2 Ų | 61.2 | 79% | 0.785 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -88.2 | -20.5 | -172.2 | -67.1 | 168.4 | 0 | 0 | 0 | 113 | ||
| 1144 | S | 43.2 | Very low | 48.5 | Very low | 37 Ų | 37 | 58.9 Ų | 58.9 | 26% | 0.259 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -123.9 | -13.8 | -154.7 | -44.9 | 0 | 0 | 0 | 0 | 115 | P913 R1140 G1146 | P913-S1144 WeakPolarHBondContact CB-O 3.42Å; P913-S1144 VanDerWaalsContact CG-C 3.43Å; P913-S1144 WeakPolarHBondContact CG-O 3.01Å; R1140-S1144 WeakPolarHBondContact O-CB 3.44Å; R1140-S1144 PolarHBondContact O-N 2.84Å; R1140-S1144 PolarHBondContact O-OG 3.41Å; R1140-S1144 VanDerWaalsContact O-OG 3.04Å; S1144-G1146 PolarHBondContact O-N 2.64Å |
| 1145 | F | 44.5 | Very low | 46.5 | Very low | 10 Ų | 10 | 63.5 Ų | 63.5 | 4% | 0.044 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 11.1 | -177.4 | -80.8 | -96.4 | 0 | 0 | 0 | 115.7 | L943 P945 F1035 D1147 Y1148 L1149 | L943-F1145 HydrophobicContact CB-CE2 3.95Å; L943-F1145 HydrophobicContact CB-CZ 3.69Å; L943-F1145 HydrophobicContact CD1-CD2 4.48Å; L943-F1145 HydrophobicContact CD1-CE2 3.51Å; L943-F1145 HydrophobicContact CD1-CZ 3.84Å; L943-F1145 HydrophobicContact CG-CE2 4.38Å; L943-F1145 HydrophobicContact CG-CZ 4.39Å; P945-F1145 HydrophobicContact CG-CE1 4.33Å; F1035-F1145 HydrophobicContact CD2-CB 4.06Å; F1035-F1145 AromaticContact CD2-CD1 3.63Å; F1035-F1145 HydrophobicContact CD2-CD1 3.63Å; F1035-F1145 HydrophobicContact CD2-CD2 4.47Å; F1035-F1145 HydrophobicContact CD2-CE1 4.24Å; F1035-F1145 AromaticContact CD2-CG 3.78Å; F1035-F1145 HydrophobicContact CD2-CG 3.78Å; F1035-F1145 HydrophobicContact CE1-CE2 4.48Å; F1035-F1145 HydrophobicContact CE1-CZ 4.45Å; F1035-F1145 AromaticContact CE2-CD1 3.39Å; F1035-F1145 HydrophobicContact CE2-CD1 3.39Å; F1035-F1145 AromaticContact CE2-CE1 3.55Å; F1035-F1145 HydrophobicContact CE2-CE1 3.55Å; F1035-F1145 AromaticContact CE2-CG 3.95Å; F1035-F1145 HydrophobicContact CE2-CG 3.95Å; F1035-F1145 HydrophobicContact CE2-CZ 4.2Å; F1035-F1145 HydrophobicContact CG-CB 4.34Å; F1035-F1145 HydrophobicContact CG-CD1 4.41Å; F1035-F1145 HydrophobicContact CG-CD2 4.5Å; F1035-F1145 HydrophobicContact CG-CG 4.15Å; F1035-F1145 HydrophobicContact CZ-CD1 4Å; F1035-F1145 AromaticContact CZ-CE1 3.75Å; F1035-F1145 HydrophobicContact CZ-CE1 3.75Å; F1035-F1145 HydrophobicContact CZ-CE2 4.39Å; F1035-F1145 HydrophobicContact CZ-CG 4.45Å; F1035-F1145 AromaticContact CZ-CZ 3.96Å; F1035-F1145 HydrophobicContact CZ-CZ 3.96Å; F1145-D1147 VanDerWaalsContact C-N 3.26Å; F1145-D1147 PolarHBondContact O-N 2.96Å; F1145-Y1148 AromaticContact CD1-CD1 3.76Å; F1145-Y1148 HydrophobicContact CD1-CD1 3.76Å; F1145-Y1148 AromaticContact CD1-CG 3.75Å; F1145-Y1148 HydrophobicContact CD1-CG 3.75Å; F1145-Y1148 HydrophobicContact CE1-CD1 4.14Å; F1145-Y1148 HydrophobicContact CE1-CG 4.05Å; F1145-Y1148 PolarHBondContact O-N 2.97Å; F1145-L1149 PolarHBondContact O-N 3.42Å |
| 1146 | G | 41.2 | Very low | 44.5 | Very low | 49 Ų | 49 | 66.5 Ų | 66.5 | 51% | 0.505 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -53 | -42.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1144 S1150 | S1144-G1146 PolarHBondContact O-N 2.64Å; G1146-S1150 WeakPolarHBondContact O-CB 3.27Å; G1146-S1150 PolarHBondContact O-N 2.82Å; G1146-S1150 VanDerWaalsContact O-N 3.11Å |
| 1147 | D | 36.9 | Very low | 42.6 | Very low | 105 Ų | 105 | 66.2 Ų | 66.2 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -83.4 | -29.6 | -178.5 | -73.4 | -32.6 | 0 | 0 | 0 | 114.8 | F1145 L1149 S1150 S1151 | F1145-D1147 VanDerWaalsContact C-N 3.26Å; F1145-D1147 PolarHBondContact O-N 2.96Å; D1147-L1149 VanDerWaalsContact C-N 3.33Å; D1147-L1149 PolarHBondContact O-N 3.06Å; D1147-S1150 WeakPolarHBondContact CA-OG 3.2Å; D1147-S1150 WeakPolarHBondContact O-CB 3.31Å; D1147-S1150 PolarHBondContact O-N 3.06Å; D1147-S1150 VanDerWaalsContact O-N 3.1Å; D1147-S1150 PolarHBondContact O-OG 3.14Å; D1147-S1151 PolarHBondContact O-N 2.69Å |
| 1148 | Y | 41.1 | Very low | 40.8 | Very low | 24 Ų | 24 | 68.1 Ų | 68.1 | 9% | 0.094 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 174.6 | -174 | -99.2 | 0 | 0 | 0 | 111 | P945 D958 L959 C960 F1145 S1150 F1152 | P945-Y1148 HydrophobicContact CB-CD2 3.88Å; P945-Y1148 HydrophobicContact CB-CE2 3.91Å; P945-Y1148 HydrophobicContact CG-CD2 4.18Å; D958-Y1148 HydrophobicContact CB-CE2 4.3Å; L959-Y1148 VanDerWaalsContact CA-OH 3.27Å; L959-Y1148 WeakPolarHBondContact CA-OH 3.48Å; L959-Y1148 PolarHBondContact N-OH 3.19Å; L959-Y1148 PolarHBondContact O-OH 3.11Å; C960-Y1148 PolarHBondContact N-OH 2.89Å; F1145-Y1148 AromaticContact CD1-CD1 3.76Å; F1145-Y1148 HydrophobicContact CD1-CD1 3.76Å; F1145-Y1148 AromaticContact CD1-CG 3.75Å; F1145-Y1148 HydrophobicContact CD1-CG 3.75Å; F1145-Y1148 HydrophobicContact CE1-CD1 4.14Å; F1145-Y1148 HydrophobicContact CE1-CG 4.05Å; F1145-Y1148 PolarHBondContact O-N 2.97Å; Y1148-S1150 VanDerWaalsContact C-N 3.35Å; Y1148-F1152 HydrophobicContact CE1-CE2 4.49Å |
| 1149 | L | 38.6 | Very low | 39.1 | Very low | 32 Ų | 32 | 75 Ų | 75 | 17% | 0.168 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -74.9 | -23.8 | 171.5 | -67.4 | 175.5 | 0 | 0 | 0 | 112.3 | A1029 F1145 D1147 S1151 F1152 R1153 | A1029-L1149 HydrophobicContact CB-CD2 4.44Å; F1145-L1149 PolarHBondContact O-N 3.42Å; D1147-L1149 VanDerWaalsContact C-N 3.33Å; D1147-L1149 PolarHBondContact O-N 3.06Å; L1149-S1151 VanDerWaalsContact C-N 3.3Å; L1149-S1151 PolarHBondContact O-N 3.22Å; L1149-F1152 PolarHBondContact O-N 3.38Å; L1149-F1152 VanDerWaalsContact O-N 3.1Å; L1149-R1153 WeakPolarHBondContact O-CG 3.47Å; L1149-R1153 PolarHBondContact O-N 3.19Å |
| 1150 | S | 37.5 | Very low | 37.8 | Very low | 28 Ų | 28 | 78.1 Ų | 78.1 | 20% | 0.196 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.8 | -34.3 | 178.6 | 86.9 | 0 | 0 | 0 | 0 | 112.4 | G1146 D1147 Y1148 F1152 R1153 K1154 | G1146-S1150 WeakPolarHBondContact O-CB 3.27Å; G1146-S1150 PolarHBondContact O-N 2.82Å; G1146-S1150 VanDerWaalsContact O-N 3.11Å; D1147-S1150 WeakPolarHBondContact CA-OG 3.2Å; D1147-S1150 WeakPolarHBondContact O-CB 3.31Å; D1147-S1150 PolarHBondContact O-N 3.06Å; D1147-S1150 VanDerWaalsContact O-N 3.1Å; D1147-S1150 PolarHBondContact O-OG 3.14Å; Y1148-S1150 VanDerWaalsContact C-N 3.35Å; S1150-F1152 PolarHBondContact O-N 3.2Å; S1150-R1153 PolarHBondContact O-N 2.79Å; S1150-R1153 VanDerWaalsContact O-N 3.14Å; S1150-K1154 WeakPolarHBondContact O-CG 3.43Å; S1150-K1154 PolarHBondContact O-N 3.07Å; S1150-K1154 VanDerWaalsContact O-N 3.15Å |
| 1151 | S | 37 | Very low | 36.6 | Very low | 41 Ų | 41 | 75.7 Ų | 75.7 | 29% | 0.287 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.9 | -32.2 | 173.3 | -70 | 0 | 0 | 0 | 0 | 112.9 | D1147 L1149 | D1147-S1151 PolarHBondContact O-N 2.69Å; L1149-S1151 VanDerWaalsContact C-N 3.3Å; L1149-S1151 PolarHBondContact O-N 3.22Å |
| 1152 | F | 35.9 | Very low | 35.4 | Very low | 40 Ų | 40 | 85.3 Ų | 85.3 | 18% | 0.175 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -83.1 | -30.6 | 173.6 | -68.3 | -80.9 | 0 | 0 | 0 | 113 | D958 T1025 Y1148 L1149 S1150 K1154 | D958-F1152 HydrophobicContact CB-CE2 4.41Å; D958-F1152 HydrophobicContact CB-CZ 4.21Å; T1025-F1152 HydrophobicContact CG2-CD1 3.9Å; T1025-F1152 HydrophobicContact CG2-CD2 4.14Å; T1025-F1152 HydrophobicContact CG2-CE1 3.97Å; T1025-F1152 HydrophobicContact CG2-CE2 4.21Å; T1025-F1152 HydrophobicContact CG2-CG 3.99Å; T1025-F1152 HydrophobicContact CG2-CZ 4.13Å; Y1148-F1152 HydrophobicContact CE1-CE2 4.49Å; L1149-F1152 PolarHBondContact O-N 3.38Å; L1149-F1152 VanDerWaalsContact O-N 3.1Å; S1150-F1152 PolarHBondContact O-N 3.2Å; F1152-K1154 VanDerWaalsContact C-N 3.28Å; F1152-K1154 PolarHBondContact O-N 3.18Å |
| 1153 | R | 35.5 | Very low | 34.4 | Very low | 123 Ų | 123 | 82.8 Ų | 82.8 | 46% | 0.464 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65 | -29 | 176.1 | -72 | 178.4 | -171.3 | -176.7 | 3.1 | 113 | L1149 S1150 N1155 | L1149-R1153 WeakPolarHBondContact O-CG 3.47Å; L1149-R1153 PolarHBondContact O-N 3.19Å; S1150-R1153 PolarHBondContact O-N 2.79Å; S1150-R1153 VanDerWaalsContact O-N 3.14Å; R1153-N1155 PolarHBondContact O-N 2.96Å; R1153-N1155 VanDerWaalsContact O-N 3.12Å |
| 1154 | K | 31.5 | Very low | 33.8 | Very low | 122 Ų | 122 | 81.1 Ų | 81.1 | 53% | 0.53 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -12.3 | -173.2 | -80.2 | 179.5 | -178 | -175.7 | 0 | 116.1 | S1150 F1152 | S1150-K1154 WeakPolarHBondContact O-CG 3.43Å; S1150-K1154 PolarHBondContact O-N 3.07Å; S1150-K1154 VanDerWaalsContact O-N 3.15Å; F1152-K1154 VanDerWaalsContact C-N 3.28Å; F1152-K1154 PolarHBondContact O-N 3.18Å |
| 1155 | N | 29.3 | Very low | 32.9 | Very low | 104 Ų | 104 | 83.4 Ų | 83.4 | 56% | 0.556 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.4 | 3.9 | -167.8 | -76.9 | -41.9 | 0 | 0 | 0 | 116.6 | R1153 | R1153-N1155 PolarHBondContact O-N 2.96Å; R1153-N1155 VanDerWaalsContact O-N 3.12Å |
| 1156 | F | 29.1 | Very low | 32.1 | Very low | 112 Ų | 112 | 88.6 Ų | 88.6 | 49% | 0.491 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -141.3 | 120.6 | 179.9 | -78 | -81.4 | 0 | 0 | 0 | 113.6 | C1026 V1158 | C1026-F1156 HydrophobicContact CB-CD2 4.31Å; F1156-V1158 PolarHBondContact O-N 2.94Å; F1156-V1158 VanDerWaalsContact O-N 3.11Å |
| 1157 | S | 26.5 | Very low | 31.2 | Very low | 70 Ų | 70 | 93 Ų | 93 | 49% | 0.49 | 46% | 0.459 | S | S | . | . | trans | -30.7 | 101.7 | 166.2 | 157.4 | 0 | 0 | 0 | 0 | 114.3 | D801 R804 | D801-S1157 WeakPolarHBondContact OD1-CA 3.34Å; R804-S1157 PolarHBondContact NH1-OG 2.53Å; R804-S1157 PolarHBondContact NH2-OG 3.37Å | ||
| 1158 | V | 29.7 | Very low | 30.5 | Very low | 44 Ų | 44 | 94.2 Ų | 94.2 | 27% | 0.267 | 47% | 0.474 | S | S | . | . | trans | -78.3 | 113.8 | -176.1 | -179.7 | 0 | 0 | 0 | 0 | 113.7 | D801 R804 F1156 | D801-V1158 HydrophobicContact CB-CG2 4.36Å; R804-V1158 WeakPolarHBondContact CD-O 3.46Å; R804-V1158 VanDerWaalsContact CZ-N 3.35Å; R804-V1158 PolarHBondContact NH1-O 2.98Å; F1156-V1158 PolarHBondContact O-N 2.94Å; F1156-V1158 VanDerWaalsContact O-N 3.11Å | ||
| 1159 | H | 28.3 | Very low | 29.7 | Very low | 148 Ų | 148 | 98.1 Ų | 98.1 | 69% | 0.685 | 50% | 0.501 | S | S | * | . | trans | -98.4 | 102.4 | 159 | -88.1 | -37.7 | 0 | 0 | 0 | 109.8 | E1030 T1161 | E1030-H1159 PolarHBondContact OE1-N 3.46Å; E1030-H1159 VanDerWaalsContact OE1-N 3.14Å; H1159-T1161 PolarHBondContact O-N 3.23Å | ||
| 1160 | R | 31.6 | Very low | 29 | Very low | 170 Ų | 170 | 107 Ų | 107 | 64% | 0.642 | 53% | 0.532 | S | S | * | . | trans | -69.9 | 125.5 | -176.9 | -165.7 | 176.2 | -171.6 | 166 | 1.6 | 110.9 | ||||
| 1161 | T | 27.5 | Very low | 28.2 | Very low | 75 Ų | 75 | 116.5 Ų | 116.5 | 46% | 0.46 | 56% | 0.563 | S | S | . | * | trans | -88.1 | 127.9 | 160 | 12 | 0 | 0 | 0 | 0 | 108.4 | H1031 H1159 S1163 | H1031-T1161 PolarHBondContact ND1-OG1 3.15Å; H1159-T1161 PolarHBondContact O-N 3.23Å; T1161-S1163 PolarHBondContact O-N 3.44Å; T1161-S1163 VanDerWaalsContact O-N 3.08Å | ||
| 1162 | R | 27.5 | Very low | 27.5 | Very low | 207 Ų | 207 | 119.8 Ų | 119.8 | 78% | 0.781 | 58% | 0.584 | S | S | * | * | trans | -63.3 | 107.8 | 177.3 | -65.2 | 179.6 | 178.4 | -176.8 | 0.1 | 108.7 | D369 | D369-R1162 IonicContact OD1-CZ 3.86Å; D369-R1162 VanDerWaalsContact OD1-CZ 3.28Å; D369-R1162 IonicContact OD1-NH1 2.76Å; D369-R1162 PolarHBondContact OD1-NH1 2.69Å; D369-R1162 IonicContact OD1-NH2 3.94Å; D369-R1162 PolarHBondContact OD1-NH2 2.89Å | ||
| 1163 | S | 29.3 | Very low | 26.8 | Very low | 47 Ų | 47 | 127.3 Ų | 127.3 | 33% | 0.329 | 62% | 0.617 | S | S | . | * | trans | -113.7 | 146.8 | 164.4 | 51.2 | 0 | 0 | 0 | 0 | 109 | T1161 | T1161-S1163 PolarHBondContact O-N 3.44Å; T1161-S1163 VanDerWaalsContact O-N 3.08Å | ||
| 1164 | F | 27.5 | Very low | 26.2 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 51% | 0.509 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 144.4 | -171.1 | -178 | -101.7 | 0 | 0 | 0 | 112.8 | Q1167 | F1164-Q1167 HydrophobicContact CE1-CG 4.18Å; F1164-Q1167 HydrophobicContact CZ-CG 4.11Å |
| 1165 | T | 26.2 | Very low | 25.6 | Very low | 84 Ų | 84 | 125.6 Ų | 125.6 | 52% | 0.515 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -79.5 | 140.6 | 174.3 | 35.2 | 0 | 0 | 0 | 0 | 111.5 | F374 Q1167 | F374-T1165 HydrophobicContact CE2-CG2 4.47Å; T1165-Q1167 PolarHBondContact O-N 3.37Å |
| 1166 | P | 26.2 | Very low | 25.4 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 77% | 0.773 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 130.1 | -169.9 | 25.3 | -33.4 | 0 | 0 | 0 | 113.3 | ||
| 1167 | Q | 22.4 | Very low | 25.2 | Very low | 141 Ų | 141 | 126.7 Ų | 126.7 | 66% | 0.659 | 66% | 0.662 | S | S | * | * | trans | -91.4 | 107.8 | 160.8 | -71.7 | -172.2 | -6.2 | 0 | 0 | 108.3 | F1164 T1165 T1169 | F1164-Q1167 HydrophobicContact CE1-CG 4.18Å; F1164-Q1167 HydrophobicContact CZ-CG 4.11Å; T1165-Q1167 PolarHBondContact O-N 3.37Å; Q1167-T1169 HydrophobicContact CB-CG2 4.35Å; Q1167-T1169 PolarHBondContact O-N 2.63Å | ||
| 1168 | C | 21.6 | Very low | 25 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 89% | 0.892 | 68% | 0.682 | S | S | * | * | trans | -70.7 | 82.3 | 172.2 | -163.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1169 | T | 25.5 | Very low | 24.8 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 64% | 0.644 | 71% | 0.706 | S | S | * | * | trans | -121.9 | 63.5 | 177.9 | 52.2 | 0 | 0 | 0 | 0 | 110.5 | Q1167 | Q1167-T1169 HydrophobicContact CB-CG2 4.35Å; Q1167-T1169 PolarHBondContact O-N 2.63Å | ||
| 1170 | R | 23 | Very low | 24.7 | Very low | 218 Ų | 218 | 139.2 Ų | 139.2 | 82% | 0.823 | 71% | 0.711 | S | S | * | * | trans | 173.6 | 110.8 | 146.4 | -96.9 | 158.9 | -172.4 | -157.5 | 4 | 110.5 | P1172 | R1170-P1172 WeakPolarHBondContact O-CD 3.35Š| ||
| 1171 | R | 21.2 | Very low | 24.5 | Very low | 228 Ų | 228 | 136.4 Ų | 136.4 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | trans | -63.4 | 122.7 | 166.7 | -64.7 | 179.7 | 177.7 | -169.6 | -2.2 | 109.3 | F1173 | R1171-F1173 PolarHBondContact O-N 3.03Š| ||
| 1172 | P | 22.5 | Very low | 24.6 | Very low | 110 Ų | 110 | 138 Ų | 138 | 71% | 0.714 | 73% | 0.727 | S | S | * | * | trans | -76.1 | 106.5 | 157.8 | 5.1 | 12.5 | 0 | 0 | 0 | 106.8 | R1170 L1174 | R1170-P1172 WeakPolarHBondContact O-CD 3.35Å; P1172-L1174 VanDerWaalsContact C-N 3.34Å; P1172-L1174 PolarHBondContact O-N 3.11Å | ||
| 1173 | F | 21.1 | Very low | 25 | Very low | 199 Ų | 199 | 132 Ų | 132 | 87% | 0.873 | 72% | 0.717 | S | S | * | * | trans | -55.1 | 93.6 | 167 | -115.4 | -101.9 | 0 | 0 | 0 | 109.1 | R1171 | R1171-F1173 PolarHBondContact O-N 3.03Š| ||
| 1174 | L | 22.2 | Very low | 25.1 | Very low | 142 Ų | 142 | 132.3 Ų | 132.3 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | trans | -105.6 | 113.9 | 160 | -109.6 | 140 | 0 | 0 | 0 | 106.1 | P1172 T1176 | P1172-L1174 VanDerWaalsContact C-N 3.34Å; P1172-L1174 PolarHBondContact O-N 3.11Å; L1174-T1176 PolarHBondContact O-N 2.94Å | ||
| 1175 | G | 20 | Very low | 25.5 | Very low | 67 Ų | 67 | 132 Ų | 132 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | trans | -56.9 | 128.3 | -163 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1176 | T | 25.2 | Very low | 25.7 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 85% | 0.847 | 74% | 0.742 | S | S | * | * | -124.9 | 128.9 | 127.3 | 50.8 | 0 | 0 | 0 | 0 | 107.7 | L1174 | L1174-T1176 PolarHBondContact O-N 2.94Š| |||
| 1177 | S | 24.6 | Very low | 26.3 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | trans | -37.1 | 137.3 | 178.4 | 47 | 0 | 0 | 0 | 0 | 115.3 | L1179 | S1177-L1179 PolarHBondContact O-N 2.93Š| ||
| 1178 | E | 22.8 | Very low | 27 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 91% | 0.911 | 75% | 0.745 | S | S | * | * | trans | -34.1 | 100.3 | 155.3 | -63.1 | 177.5 | 141.7 | 0 | 0 | 112.8 | ||||
| 1179 | L | 25.3 | Very low | 27.8 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | trans | -111.5 | 81.1 | 156.4 | -89.4 | 161.9 | 0 | 0 | 0 | 108.6 | S1177 | S1177-L1179 PolarHBondContact O-N 2.93Š| ||
| 1180 | K | 24.9 | Very low | 28.3 | Very low | 183 Ų | 183 | 140.2 Ų | 140.2 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | 36.2 | 84.5 | 139 | -65.6 | 177.9 | 176.3 | 173.9 | 0 | 117.5 | ||||
| 1181 | V | 28.1 | Very low | 29.2 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 68% | 0.679 | 75% | 0.752 | S | S | * | * | trans | -142 | 29.1 | 149.5 | -156.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1182 | S | 30 | Very low | 29.6 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -100.2 | -5.8 | 170.9 | 88 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1183 | S | 35.3 | Very low | 29.9 | Very low | 81 Ų | 81 | 135.3 Ų | 135.3 | 57% | 0.566 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -97.1 | -16.5 | 176.4 | 62.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1184 | A | 32.5 | Very low | 30.4 | Very low | 53 Ų | 53 | 131.8 Ų | 131.8 | 44% | 0.438 | 74% | 0.741 | S | S | . | * | S | Bend | trans | -78 | -40 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1187 | A1184-R1187 PolarHBondContact O-N 3.48Š|
| 1185 | V | 34.9 | Very low | 30.9 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 67% | 0.667 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -27.6 | -174.3 | -175.5 | 0 | 0 | 0 | 0 | 112.3 | R1187 | V1185-R1187 VanDerWaalsContact C-N 3.26Å; V1185-R1187 PolarHBondContact O-N 3.34Å |
| 1186 | K | 31 | Very low | 31.6 | Very low | 176 Ų | 176 | 135.2 Ų | 135.2 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -12.1 | 173.4 | -96.1 | -176.1 | 177.6 | 179 | 0 | 114.6 | ||
| 1187 | R | 39 | Very low | 32 | Very low | 201 Ų | 201 | 135 Ų | 135 | 76% | 0.758 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -18.4 | 178.2 | -79.6 | -172.6 | -178 | 176.3 | 1.2 | 114.2 | A1184 V1185 | A1184-R1187 PolarHBondContact O-N 3.48Å; V1185-R1187 VanDerWaalsContact C-N 3.26Å; V1185-R1187 PolarHBondContact O-N 3.34Å |
| 1188 | L | 36.5 | Very low | 32.6 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 0.5 | 179.5 | -81.1 | 160.8 | 0 | 0 | 0 | 114.3 | ||
| 1189 | S | 37.7 | Very low | 33.3 | Very low | 88 Ų | 88 | 133.1 Ų | 133.1 | 62% | 0.615 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 2.6 | 169.4 | 77.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1190 | N | 35.7 | Very low | 34 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | trans | -131 | 21.5 | -178.7 | -86.4 | -15 | 0 | 0 | 0 | 113.5 | ||||
| 1191 | V | 42.1 | Very low | 34.8 | Very low | 182 Ų | 182 | 127.3 Ų | 127.3 | 100% | 1.103 | 72% | 0.716 | S | S | * | * | trans | -133.9 | 0 | 157.9 | -177.4 | 0 | 0 | 0 | 0 | 105.9 |
Retrieved 1,191 of 1,191 residues in 4295.5 ms
(Link to these results)