| 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 | 53.9 | Low | 84.2 | Confident | 96 Ų | 96 | 38.4 Ų | 38.4 | 47% | 0.473 | 18% | 0.184 | S | C | . | . | 0 | 150.3 | 0 | -62.6 | -42.4 | -67.6 | 0 | 0 | 107.8 | Q4 G5 D261 L290 P291 C293 | M1-Q4 PolarHBondContact O-N 3.44Å; M1-G5 PolarHBondContact O-N 2.96Å; M1-D261 WeakPolarHBondContact CB-OD1 3.47Å; M1-L290 HydrophobicContact CE-CB 3.86Å; M1-L290 HydrophobicContact CE-CD1 4.37Å; M1-P291 WeakPolarHBondContact CE-O 3.35Å; M1-C293 WeakPolarHBondContact CA-SG 3.22Å; M1-C293 HydrophobicContact CE-CB 4.37Å; M1-C293 HydrophobicContact SD-CB 3.77Å | |||
| 2 | G | 70.8 | Confident | 84.9 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | 44.1 | -145.3 | -168 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q4 G5 L254 G255 D261 C293 | G2-Q4 PolarHBondContact O-N 3.17Å; G2-G5 PolarHBondContact O-N 3.15Å; G2-G5 VanDerWaalsContact O-N 3.13Å; G2-L254 VanDerWaalsContact CA-O 3.24Å; G2-L254 WeakPolarHBondContact CA-O 3.42Å; G2-G255 WeakPolarHBondContact CA-O 3.43Å; G2-D261 WeakPolarHBondContact CA-OD1 3.48Å; G2-D261 PolarHBondContact N-OD1 3.49Å; G2-C293 PolarHBondContact O-SG 3.33Å; G2-C293 VanDerWaalsContact O-SG 3.33Å |
| 3 | V | 80.6 | Confident | 85.6 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -47.7 | -42.1 | 174.3 | 163.8 | 0 | 0 | 0 | 0 | 111.7 | G5 F6 S201 E202 L205 L254 G255 N256 F342 | V3-G5 PolarHBondContact O-N 2.76Å; V3-F6 VanDerWaalsContact O-CB 3.26Å; V3-F6 WeakPolarHBondContact O-CB 3.04Å; V3-F6 PolarHBondContact O-N 2.93Å; V3-S201 WeakPolarHBondContact O-CB 3.28Å; V3-E202 HydrophobicContact CG1-CB 4.14Å; V3-E202 HydrophobicContact CG1-CG 4.43Å; V3-L205 HydrophobicContact CB-CD1 4.21Å; V3-L205 HydrophobicContact CG1-CD1 3.86Å; V3-L205 HydrophobicContact CG2-CD1 3.73Å; V3-L254 HydrophobicContact CG2-CB 4.15Å; V3-L254 HydrophobicContact CG2-CD1 4.45Å; V3-G255 WeakPolarHBondContact CG2-O 3.45Å; V3-G255 PolarHBondContact N-O 3.41Å; V3-N256 HydrophobicContact CG2-CB 4.1Å; V3-F342 HydrophobicContact CG2-CZ 4.17Å |
| 4 | Q | 81.7 | Confident | 86.1 | Confident | 86 Ų | 86 | 47.9 Ų | 47.9 | 40% | 0.402 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -66.1 | -6.2 | -175.2 | -67 | -63.1 | -22.9 | 0 | 0 | 115 | M1 G2 D200 | M1-Q4 PolarHBondContact O-N 3.44Å; G2-Q4 PolarHBondContact O-N 3.17Å; Q4-D200 PolarHBondContact NE2-OD1 3.4Å |
| 5 | G | 85.4 | Confident | 86.6 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -95.9 | -1.7 | 169 | 0 | 0 | 0 | 0 | 0 | 115.2 | M1 G2 V3 E8 Y9 | M1-G5 PolarHBondContact O-N 2.96Å; G2-G5 PolarHBondContact O-N 3.15Å; G2-G5 VanDerWaalsContact O-N 3.13Å; V3-G5 PolarHBondContact O-N 2.76Å; G5-E8 PolarHBondContact O-N 3.12Å; G5-Y9 PolarHBondContact O-N 3.02Å; G5-Y9 VanDerWaalsContact O-N 3.09Å |
| 6 | F | 92.5 | Very high | 87 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.6 | -41.1 | -167.3 | -173.5 | -107.2 | 0 | 0 | 0 | 113.5 | V3 E8 Y9 L10 A204 L205 L233 A236 L240 F250 L254 I297 | V3-F6 VanDerWaalsContact O-CB 3.26Å; V3-F6 WeakPolarHBondContact O-CB 3.04Å; V3-F6 PolarHBondContact O-N 2.93Å; F6-E8 VanDerWaalsContact C-N 3.34Å; F6-E8 PolarHBondContact O-N 3.48Å; F6-Y9 WeakPolarHBondContact O-CA 3.47Å; F6-Y9 WeakPolarHBondContact O-CB 3.4Å; F6-Y9 PolarHBondContact O-N 3.49Å; F6-Y9 VanDerWaalsContact O-N 3.11Å; F6-L10 HydrophobicContact CD1-CD1 4.28Å; F6-L10 HydrophobicContact CD1-CD2 4.44Å; F6-L10 HydrophobicContact CD1-CG 4.22Å; F6-L10 HydrophobicContact CE1-CD1 3.92Å; F6-L10 HydrophobicContact CE1-CD2 3.82Å; F6-L10 HydrophobicContact CE1-CG 3.98Å; F6-L10 HydrophobicContact CE2-CD2 4.18Å; F6-L10 HydrophobicContact CZ-CD2 3.67Å; F6-L10 HydrophobicContact CZ-CG 4.32Å; F6-L10 WeakPolarHBondContact O-CG 3.36Å; F6-L10 PolarHBondContact O-N 3.21Å; F6-A204 HydrophobicContact CD1-CB 4.02Å; F6-A204 HydrophobicContact CE1-CB 4.41Å; F6-L205 HydrophobicContact CD1-CD1 4.48Å; F6-L205 HydrophobicContact CD1-CD2 3.63Å; F6-L205 HydrophobicContact CD1-CG 3.78Å; F6-L205 HydrophobicContact CD2-CD2 4.09Å; F6-L205 HydrophobicContact CE1-CD2 3.43Å; F6-L205 VanDerWaalsContact CE1-CD2 3.43Å; F6-L205 HydrophobicContact CE1-CG 4Å; F6-L205 HydrophobicContact CE2-CD2 3.92Å; F6-L205 HydrophobicContact CG-CD1 4.44Å; F6-L205 HydrophobicContact CG-CD2 3.96Å; F6-L205 HydrophobicContact CG-CG 4.19Å; F6-L205 HydrophobicContact CZ-CD2 3.58Å; F6-L233 HydrophobicContact CE1-CD1 3.88Å; F6-L233 HydrophobicContact CZ-CD1 3.91Å; F6-A236 HydrophobicContact CZ-CB 4.35Å; F6-L240 HydrophobicContact CE2-CD1 4.05Å; F6-F250 HydrophobicContact CD2-CE1 4.41Å; F6-F250 AromaticContact CE2-CE1 3.87Å; F6-F250 HydrophobicContact CE2-CE1 3.87Å; F6-F250 HydrophobicContact CE2-CZ 4.18Å; F6-F250 HydrophobicContact CZ-CE1 4.46Å; F6-L254 HydrophobicContact CD2-CD1 4.46Å; F6-I297 HydrophobicContact CD2-CD1 4.23Å |
| 7 | Q | 92 | Very high | 87.4 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 2% | 0.023 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.3 | -42 | 175.1 | -76.6 | 175.4 | -65.3 | 0 | 0 | 112.6 | Y9 L10 E11 D200 S201 A204 Y211 Y231 | Q7-Y9 VanDerWaalsContact C-N 3.28Å; Q7-Y9 PolarHBondContact O-N 3.09Å; Q7-L10 WeakPolarHBondContact O-CB 3.44Å; Q7-L10 PolarHBondContact O-N 2.87Å; Q7-E11 WeakPolarHBondContact O-CG 3.33Å; Q7-E11 PolarHBondContact O-N 2.93Å; Q7-E11 VanDerWaalsContact O-N 3.08Å; Q7-D200 PolarHBondContact OE1-O 3.09Å; Q7-S201 WeakPolarHBondContact CB-OG 3.37Å; Q7-S201 WeakPolarHBondContact CG-OG 3.43Å; Q7-S201 PolarHBondContact N-OG 2.88Å; Q7-S201 PolarHBondContact OE1-OG 2.88Å; Q7-A204 HydrophobicContact CG-CB 4.02Å; Q7-Y211 PolarHBondContact NE2-OH 2.96Å; Q7-Y231 HydrophobicContact CB-CE1 4.46Å; Q7-Y231 HydrophobicContact CG-CE1 4.42Å; Q7-Y231 HydrophobicContact CG-CE2 4.28Å |
| 8 | E | 91.6 | Very high | 87.9 | Confident | 109 Ų | 109 | 46.9 Ų | 46.9 | 51% | 0.509 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.2 | -36 | 175.5 | -177.6 | -179.5 | -168.6 | 0 | 0 | 111.5 | G5 F6 K12 | G5-E8 PolarHBondContact O-N 3.12Å; F6-E8 VanDerWaalsContact C-N 3.34Å; F6-E8 PolarHBondContact O-N 3.48Å; E8-K12 HydrophobicContact CG-CD 3.91Å; E8-K12 WeakPolarHBondContact O-CB 3.4Å; E8-K12 WeakPolarHBondContact O-CG 3.5Å; E8-K12 PolarHBondContact O-N 2.87Å; E8-K12 VanDerWaalsContact O-N 3.12Å; E8-K12 IonicContact OE1-NZ 2.74Å; E8-K12 PolarHBondContact OE1-NZ 3.48Å |
| 9 | Y | 93 | Very high | 88.3 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.5 | -43.7 | 172.5 | -175.1 | -88.4 | 0 | 0 | 0 | 112.1 | G5 F6 Q7 E11 K12 R13 C14 L240 E294 I297 | G5-Y9 PolarHBondContact O-N 3.02Å; G5-Y9 VanDerWaalsContact O-N 3.09Å; F6-Y9 WeakPolarHBondContact O-CA 3.47Å; F6-Y9 WeakPolarHBondContact O-CB 3.4Å; F6-Y9 PolarHBondContact O-N 3.49Å; F6-Y9 VanDerWaalsContact O-N 3.11Å; Q7-Y9 VanDerWaalsContact C-N 3.28Å; Q7-Y9 PolarHBondContact O-N 3.09Å; Y9-E11 VanDerWaalsContact C-N 3.35Å; Y9-E11 PolarHBondContact O-N 3.24Å; Y9-K12 PolarHBondContact O-N 2.92Å; Y9-R13 HydrophobicContact CD1-CB 4.24Å; Y9-R13 HydrophobicContact CD2-CB 4.01Å; Y9-R13 HydrophobicContact CD2-CG 3.98Å; Y9-R13 HydrophobicContact CE1-CB 4Å; Y9-R13 HydrophobicContact CE2-CB 3.78Å; Y9-R13 HydrophobicContact CE2-CG 3.87Å; Y9-R13 HydrophobicContact CG-CB 4.25Å; Y9-R13 WeakPolarHBondContact O-CA 3.44Å; Y9-R13 WeakPolarHBondContact O-CB 3.23Å; Y9-R13 PolarHBondContact O-N 2.98Å; Y9-C14 VanDerWaalsContact CE1-SG 3.59Å; Y9-L240 HydrophobicContact CE1-CD2 3.91Å; Y9-E294 HydrophobicContact CD2-CB 3.85Å; Y9-E294 HydrophobicContact CE2-CB 4.1Å; Y9-E294 WeakPolarHBondContact CE2-O 3.28Å; Y9-I297 HydrophobicContact CD1-CG2 3.73Å; Y9-I297 HydrophobicContact CD2-CB 4.18Å; Y9-I297 HydrophobicContact CD2-CD1 4.01Å; Y9-I297 HydrophobicContact CD2-CG2 3.91Å; Y9-I297 HydrophobicContact CE1-CG2 3.59Å; Y9-I297 HydrophobicContact CE2-CB 4.17Å; Y9-I297 HydrophobicContact CE2-CG2 3.76Å; Y9-I297 HydrophobicContact CG-CB 4.46Å; Y9-I297 HydrophobicContact CG-CD1 3.83Å; Y9-I297 HydrophobicContact CG-CG2 3.88Å |
| 10 | L | 93 | Very high | 88.7 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.4 | -49.8 | 176.1 | -63.6 | -170.5 | 0 | 0 | 0 | 111.3 | F6 Q7 K12 C14 A17 Y231 A236 | F6-L10 HydrophobicContact CD1-CD1 4.28Å; F6-L10 HydrophobicContact CD1-CD2 4.44Å; F6-L10 HydrophobicContact CD1-CG 4.22Å; F6-L10 HydrophobicContact CE1-CD1 3.92Å; F6-L10 HydrophobicContact CE1-CD2 3.82Å; F6-L10 HydrophobicContact CE1-CG 3.98Å; F6-L10 HydrophobicContact CE2-CD2 4.18Å; F6-L10 HydrophobicContact CZ-CD2 3.67Å; F6-L10 HydrophobicContact CZ-CG 4.32Å; F6-L10 WeakPolarHBondContact O-CG 3.36Å; F6-L10 PolarHBondContact O-N 3.21Å; Q7-L10 WeakPolarHBondContact O-CB 3.44Å; Q7-L10 PolarHBondContact O-N 2.87Å; L10-K12 VanDerWaalsContact C-N 3.33Å; L10-K12 PolarHBondContact O-N 2.68Å; L10-C14 HydrophobicContact CD2-CB 4.34Å; L10-C14 PolarHBondContact O-N 2.71Å; L10-C14 VanDerWaalsContact O-N 3.14Å; L10-A17 HydrophobicContact CD2-CB 4.4Å; L10-Y231 HydrophobicContact CB-CD1 4.35Å; L10-Y231 HydrophobicContact CD1-CD1 3.81Å; L10-Y231 HydrophobicContact CD1-CG 4.24Å; L10-A236 HydrophobicContact CD2-CB 3.33Å |
| 11 | E | 92 | Very high | 89.1 | Confident | 86 Ų | 86 | 48.8 Ų | 48.8 | 40% | 0.402 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.3 | -33 | -177.7 | -69.1 | 175.4 | -174.9 | 0 | 0 | 113.3 | Q7 Y9 A18 Y231 | Q7-E11 WeakPolarHBondContact O-CG 3.33Å; Q7-E11 PolarHBondContact O-N 2.93Å; Q7-E11 VanDerWaalsContact O-N 3.08Å; Y9-E11 VanDerWaalsContact C-N 3.35Å; Y9-E11 PolarHBondContact O-N 3.24Å; E11-A18 HydrophobicContact CG-CB 4.27Å; E11-Y231 HydrophobicContact CG-CE1 3.98Å; E11-Y231 WeakPolarHBondContact OE1-CE1 3.32Å; E11-Y231 PolarHBondContact OE1-OH 3.44Å |
| 12 | K | 92.4 | Very high | 91.1 | Very high | 129 Ų | 129 | 44.9 Ų | 44.9 | 56% | 0.561 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -99 | -27.1 | -174.8 | -66.3 | -179.5 | -178.6 | 179.6 | 0 | 114.7 | E8 Y9 L10 | E8-K12 HydrophobicContact CG-CD 3.91Å; E8-K12 WeakPolarHBondContact O-CB 3.4Å; E8-K12 WeakPolarHBondContact O-CG 3.5Å; E8-K12 PolarHBondContact O-N 2.87Å; E8-K12 VanDerWaalsContact O-N 3.12Å; E8-K12 IonicContact OE1-NZ 2.74Å; E8-K12 PolarHBondContact OE1-NZ 3.48Å; Y9-K12 PolarHBondContact O-N 2.92Å; L10-K12 VanDerWaalsContact C-N 3.33Å; L10-K12 PolarHBondContact O-N 2.68Å |
| 13 | R | 93.3 | Very high | 92.3 | Very high | 115 Ų | 115 | 44.9 Ų | 44.9 | 43% | 0.434 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -128.7 | -8.4 | -168.4 | -62.9 | -52.9 | -151 | -54.8 | -3.7 | 115.4 | Y9 P15 E294 | Y9-R13 HydrophobicContact CD1-CB 4.24Å; Y9-R13 HydrophobicContact CD2-CB 4.01Å; Y9-R13 HydrophobicContact CD2-CG 3.98Å; Y9-R13 HydrophobicContact CE1-CB 4Å; Y9-R13 HydrophobicContact CE2-CB 3.78Å; Y9-R13 HydrophobicContact CE2-CG 3.87Å; Y9-R13 HydrophobicContact CG-CB 4.25Å; Y9-R13 WeakPolarHBondContact O-CA 3.44Å; Y9-R13 WeakPolarHBondContact O-CB 3.23Å; Y9-R13 PolarHBondContact O-N 2.98Å; R13-P15 WeakPolarHBondContact O-CD 3.37Å; R13-E294 IonicContact CZ-OE1 2.89Å; R13-E294 IonicContact CZ-OE2 2.9Å; R13-E294 VanDerWaalsContact CZ-OE2 3.29Å; R13-E294 IonicContact NH1-OE1 3.8Å; R13-E294 IonicContact NH1-OE2 3.61Å; R13-E294 PolarHBondContact NH1-OE2 3.19Å; R13-E294 IonicContact NH2-OE1 3.69Å; R13-E294 PolarHBondContact NH2-OE1 3.3Å; R13-E294 IonicContact NH2-OE2 3Å; R13-E294 PolarHBondContact NH2-OE2 3.39Å; R13-E294 VanDerWaalsContact NH2-OE2 3.16Å |
| 14 | C | 93.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -118.3 | 80.4 | 174.4 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | Y9 L10 G16 A17 Q239 | Y9-C14 VanDerWaalsContact CE1-SG 3.59Å; L10-C14 HydrophobicContact CD2-CB 4.34Å; L10-C14 PolarHBondContact O-N 2.71Å; L10-C14 VanDerWaalsContact O-N 3.14Å; C14-G16 PolarHBondContact O-N 3.31Å; C14-A17 HydrophobicContact CB-CB 3.48Å; C14-A17 VanDerWaalsContact CB-CB 3.48Å; C14-A17 VanDerWaalsContact O-CB 3.28Å; C14-A17 WeakPolarHBondContact O-CB 3.37Å; C14-A17 PolarHBondContact O-N 2.78Å; C14-Q239 VanDerWaalsContact CA-OE1 3.28Å |
| 15 | P | 93.3 | Very high | 93.4 | Very high | 103 Ų | 103 | 45.6 Ų | 45.6 | 67% | 0.669 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53 | 127.3 | 177.9 | -25.7 | 34.8 | 0 | 0 | 0 | 111.7 | R13 A17 Q239 | R13-P15 WeakPolarHBondContact O-CD 3.37Å; P15-A17 VanDerWaalsContact C-N 3.31Å; P15-A17 PolarHBondContact O-N 3.21Å; P15-Q239 PolarHBondContact O-NE2 3.23Å |
| 16 | G | 92.9 | Very high | 93.5 | Very high | 45 Ų | 45 | 48.9 Ų | 48.9 | 46% | 0.464 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -9.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | C14 A18 V19 | C14-G16 PolarHBondContact O-N 3.31Å; G16-A18 VanDerWaalsContact C-N 3.3Å; G16-V19 VanDerWaalsContact O-CG2 3.22Å; G16-V19 WeakPolarHBondContact O-CG2 3.36Å |
| 17 | A | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -80 | -10.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L10 C14 P15 Y231 L232 E235 A236 | L10-A17 HydrophobicContact CD2-CB 4.4Å; C14-A17 HydrophobicContact CB-CB 3.48Å; C14-A17 VanDerWaalsContact CB-CB 3.48Å; C14-A17 VanDerWaalsContact O-CB 3.28Å; C14-A17 WeakPolarHBondContact O-CB 3.37Å; C14-A17 PolarHBondContact O-N 2.78Å; P15-A17 VanDerWaalsContact C-N 3.31Å; P15-A17 PolarHBondContact O-N 3.21Å; A17-Y231 CarbonylContact O-C 3.53Å; A17-Y231 WeakPolarHBondContact O-CA 3.23Å; A17-L232 PolarHBondContact O-N 3.44Å; A17-E235 HydrophobicContact CB-CB 4.46Å; A17-E235 HydrophobicContact CB-CG 4.35Å; A17-A236 HydrophobicContact CB-CB 4.15Å |
| 18 | A | 96.2 | Very high | 93 | Very high | 26 Ų | 26 | 53 Ų | 53 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 115.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | E11 G16 Q230 Y231 | E11-A18 HydrophobicContact CG-CB 4.27Å; G16-A18 VanDerWaalsContact C-N 3.3Å; A18-Q230 WeakPolarHBondContact CA-O 3.21Å; A18-Y231 HydrophobicContact CB-CD1 4.25Å; A18-Y231 HydrophobicContact CB-CE1 4.37Å |
| 19 | V | 96 | Very high | 92.6 | Very high | 52 Ų | 52 | 51.9 Ų | 51.9 | 32% | 0.315 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 128.4 | -170.6 | -179 | 0 | 0 | 0 | 0 | 110.8 | G16 V21 H229 Q230 L232 | G16-V19 VanDerWaalsContact O-CG2 3.22Å; G16-V19 WeakPolarHBondContact O-CG2 3.36Å; V19-V21 PolarHBondContact O-N 2.65Å; V19-H229 CarbonylContact O-C 3.58Å; V19-H229 VanDerWaalsContact O-CA 3.3Å; V19-H229 WeakPolarHBondContact O-CA 3.27Å; V19-Q230 PolarHBondContact N-O 2.91Å; V19-Q230 PolarHBondContact O-N 2.58Å; V19-L232 HydrophobicContact CG2-CD1 3.65Å; V19-L232 HydrophobicContact CG2-CG 4.26Å |
| 20 | P | 96.5 | Very high | 91.7 | Very high | 105 Ų | 105 | 53.3 Ų | 53.3 | 68% | 0.682 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 130.8 | 176.6 | 28.6 | -34.1 | 0 | 0 | 0 | 112 | T228 | P20-T228 WeakPolarHBondContact CA-O 3.44Å |
| 21 | V | 96.6 | Very high | 90.5 | Very high | 23 Ų | 23 | 56 Ų | 56 | 14% | 0.139 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 160.8 | -178.3 | -65.9 | 0 | 0 | 0 | 0 | 111.2 | V19 L23 L26 F212 T227 T228 Q230 | V19-V21 PolarHBondContact O-N 2.65Å; V21-L23 HydrophobicContact CG2-CD2 4.16Å; V21-L26 HydrophobicContact CB-CD1 4.02Å; V21-L26 HydrophobicContact CG1-CD1 4.3Å; V21-L26 HydrophobicContact CG2-CD1 4.47Å; V21-F212 HydrophobicContact CG2-CD1 3.9Å; V21-F212 HydrophobicContact CG2-CE1 3.85Å; V21-T227 CarbonylContact O-C 3.56Å; V21-T227 WeakPolarHBondContact O-CA 3.22Å; V21-T228 HydrophobicContact CG2-CG2 3.89Å; V21-T228 WeakPolarHBondContact CG2-O 3.18Å; V21-T228 PolarHBondContact N-O 2.92Å; V21-T228 PolarHBondContact O-N 2.89Å; V21-Q230 HydrophobicContact CG1-CB 3.99Å; V21-Q230 HydrophobicContact CG2-CB 4.31Å |
| 22 | D | 96.2 | Very high | 89.2 | Confident | 15 Ų | 15 | 62 Ų | 62 | 8% | 0.08 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 111.3 | 167.9 | -179 | -17.4 | 0 | 0 | 0 | 109.4 | L24 K25 L26 N225 L226 T227 | D22-L24 VanDerWaalsContact C-N 3.26Å; D22-L24 PolarHBondContact O-N 3.07Å; D22-L24 PolarHBondContact OD1-N 3.25Å; D22-K25 HydrophobicContact CB-CB 4.09Å; D22-K25 HydrophobicContact CB-CD 4.16Å; D22-K25 HydrophobicContact CB-CG 4.06Å; D22-K25 PolarHBondContact O-N 3.25Å; D22-K25 PolarHBondContact OD1-N 3.49Å; D22-K25 WeakPolarHBondContact OD2-CG 3.2Å; D22-K25 IonicContact OD2-NZ 2.72Å; D22-K25 PolarHBondContact OD2-NZ 3.09Å; D22-L26 PolarHBondContact O-N 3.31Å; D22-N225 WeakPolarHBondContact OD2-CA 3.34Å; D22-N225 VanDerWaalsContact OD2-CB 3.29Å; D22-N225 WeakPolarHBondContact OD2-CB 3.38Å; D22-N225 PolarHBondContact OD2-OD1 3.22Å; D22-L226 WeakPolarHBondContact CA-O 3.46Å; D22-L226 PolarHBondContact OD1-N 3.15Å; D22-L226 VanDerWaalsContact OD1-N 3.07Å; D22-T227 HydrophobicContact CB-CG2 4.13Å |
| 23 | L | 95.1 | Very high | 87.5 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.5 | -31.9 | -173.5 | -57.2 | -178.7 | 0 | 0 | 0 | 112.2 | V21 L26 A27 I59 I197 F212 L217 L226 T228 | V21-L23 HydrophobicContact CG2-CD2 4.16Å; L23-L26 HydrophobicContact CD2-CD1 4.38Å; L23-L26 PolarHBondContact O-N 2.96Å; L23-A27 WeakPolarHBondContact O-CB 3.4Å; L23-A27 PolarHBondContact O-N 3.43Å; L23-I59 HydrophobicContact CB-CD1 4.49Å; L23-I59 HydrophobicContact CD1-CD1 4.33Å; L23-I59 HydrophobicContact CD2-CD1 4.3Å; L23-I197 HydrophobicContact CD1-CD1 3.66Å; L23-I197 HydrophobicContact CD1-CG1 4.36Å; L23-F212 HydrophobicContact CD2-CD1 3.91Å; L23-F212 HydrophobicContact CD2-CD2 3.87Å; L23-F212 HydrophobicContact CD2-CE1 3.83Å; L23-F212 HydrophobicContact CD2-CE2 3.76Å; L23-F212 HydrophobicContact CD2-CG 3.95Å; L23-F212 HydrophobicContact CD2-CZ 3.76Å; L23-L217 HydrophobicContact CD1-CD1 4.07Å; L23-L226 HydrophobicContact CB-CB 4.5Å; L23-L226 HydrophobicContact CB-CD2 4.41Å; L23-L226 HydrophobicContact CD1-CD2 4.09Å; L23-L226 HydrophobicContact CD1-CG 4.28Å; L23-L226 PolarHBondContact N-O 3.49Å; L23-T228 HydrophobicContact CD1-CG2 4.1Å; L23-T228 HydrophobicContact CD2-CG2 4.07Å; L23-T228 HydrophobicContact CG-CG2 4.11Å |
| 24 | L | 93.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -74.2 | -30.1 | 177.4 | -50 | -178.3 | 0 | 0 | 0 | 111 | D22 R28 A97 Q101 G223 L226 | D22-L24 VanDerWaalsContact C-N 3.26Å; D22-L24 PolarHBondContact O-N 3.07Å; D22-L24 PolarHBondContact OD1-N 3.25Å; L24-R28 WeakPolarHBondContact O-CB 3.14Å; L24-R28 WeakPolarHBondContact O-CG 3.43Å; L24-R28 PolarHBondContact O-N 2.98Å; L24-R28 PolarHBondContact O-NE 3.47Å; L24-A97 HydrophobicContact CD1-CB 4.31Å; L24-Q101 HydrophobicContact CD1-CB 4.21Å; L24-G223 WeakPolarHBondContact CD1-O 3.4Å; L24-L226 HydrophobicContact CD1-CB 4.08Å; L24-L226 HydrophobicContact CD2-CB 4.09Å; L24-L226 HydrophobicContact CD2-CD2 4.46Å; L24-L226 HydrophobicContact CG-CB 3.71Å |
| 25 | K | 91.7 | Very high | 83.2 | Confident | 104 Ų | 104 | 66.7 Ų | 66.7 | 45% | 0.452 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -74.4 | -39.9 | 172.4 | -66.6 | -173.6 | -176.4 | 86.3 | 0 | 111.1 | D22 T29 N225 | D22-K25 HydrophobicContact CB-CB 4.09Å; D22-K25 HydrophobicContact CB-CD 4.16Å; D22-K25 HydrophobicContact CB-CG 4.06Å; D22-K25 PolarHBondContact O-N 3.25Å; D22-K25 PolarHBondContact OD1-N 3.49Å; D22-K25 WeakPolarHBondContact OD2-CG 3.2Å; D22-K25 IonicContact OD2-NZ 2.72Å; D22-K25 PolarHBondContact OD2-NZ 3.09Å; K25-T29 WeakPolarHBondContact O-CB 3.43Å; K25-T29 PolarHBondContact O-N 2.83Å; K25-T29 PolarHBondContact O-OG1 3.1Å; K25-N225 PolarHBondContact NZ-OD1 3.16Å |
| 26 | L | 88.8 | Confident | 80.7 | Confident | 75 Ų | 75 | 69.4 Ų | 69.4 | 39% | 0.393 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.6 | -50.2 | 175.4 | -69.4 | 179.1 | 0 | 0 | 0 | 111.6 | V21 D22 L23 R28 T29 A30 F212 | V21-L26 HydrophobicContact CB-CD1 4.02Å; V21-L26 HydrophobicContact CG1-CD1 4.3Å; V21-L26 HydrophobicContact CG2-CD1 4.47Å; D22-L26 PolarHBondContact O-N 3.31Å; L23-L26 HydrophobicContact CD2-CD1 4.38Å; L23-L26 PolarHBondContact O-N 2.96Å; L26-R28 PolarHBondContact O-N 2.76Å; L26-T29 WeakPolarHBondContact O-CB 3.48Å; L26-T29 PolarHBondContact O-N 2.89Å; L26-A30 PolarHBondContact O-N 3.06Å; L26-F212 HydrophobicContact CD1-CE1 4.24Å; L26-F212 HydrophobicContact CD1-CZ 4.07Å |
| 27 | A | 87.5 | Confident | 78.3 | Confident | 6 Ų | 6 | 75.4 Ų | 75.4 | 5% | 0.05 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -56.7 | -49 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L23 T29 A30 A31 A57 G102 L104 | L23-A27 WeakPolarHBondContact O-CB 3.4Å; L23-A27 PolarHBondContact O-N 3.43Å; A27-T29 PolarHBondContact O-N 2.92Å; A27-A30 PolarHBondContact O-N 3.29Å; A27-A31 WeakPolarHBondContact O-CB 3.39Å; A27-A31 PolarHBondContact O-N 2.9Å; A27-A57 HydrophobicContact CB-CB 4.04Å; A27-G102 WeakPolarHBondContact CB-O 3.26Å; A27-L104 HydrophobicContact CB-CB 4.24Å; A27-L104 HydrophobicContact CB-CD1 4.23Å |
| 28 | R | 85.9 | Confident | 75.9 | Confident | 85 Ų | 85 | 83.4 Ų | 83.4 | 32% | 0.321 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64 | -22.7 | 175.7 | -73.2 | 178.6 | -72.3 | -154.5 | 3.4 | 114 | L24 L26 R32 Q101 K224 | L24-R28 WeakPolarHBondContact O-CB 3.14Å; L24-R28 WeakPolarHBondContact O-CG 3.43Å; L24-R28 PolarHBondContact O-N 2.98Å; L24-R28 PolarHBondContact O-NE 3.47Å; L26-R28 PolarHBondContact O-N 2.76Å; R28-R32 VanDerWaalsContact O-CD 3.32Å; R28-R32 WeakPolarHBondContact O-CD 3.47Å; R28-R32 VanDerWaalsContact O-CG 3.28Å; R28-R32 WeakPolarHBondContact O-CG 3.43Å; R28-Q101 VanDerWaalsContact CD-O 3.25Å; R28-Q101 WeakPolarHBondContact CD-O 3.45Å; R28-Q101 PolarHBondContact NE-O 3.17Å; R28-Q101 PolarHBondContact NH1-O 3.49Å; R28-K224 PolarHBondContact NH2-O 2.69Å |
| 29 | T | 82.5 | Confident | 73.3 | Confident | 85 Ų | 85 | 90.7 Ų | 90.7 | 52% | 0.521 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -82.4 | -43.9 | 175.9 | -56 | 0 | 0 | 0 | 0 | 111 | K25 L26 A27 A31 R32 | K25-T29 WeakPolarHBondContact O-CB 3.43Å; K25-T29 PolarHBondContact O-N 2.83Å; K25-T29 PolarHBondContact O-OG1 3.1Å; L26-T29 WeakPolarHBondContact O-CB 3.48Å; L26-T29 PolarHBondContact O-N 2.89Å; A27-T29 PolarHBondContact O-N 2.92Å; T29-A31 VanDerWaalsContact C-N 3.35Å; T29-A31 PolarHBondContact O-N 3.17Å; T29-R32 PolarHBondContact O-N 3.43Å; T29-R32 VanDerWaalsContact O-N 3.12Å |
| 30 | A | 74.8 | Confident | 71 | Confident | 59 Ų | 59 | 93.7 Ų | 93.7 | 49% | 0.488 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L26 A27 R32 Q33 | L26-A30 PolarHBondContact O-N 3.06Å; A27-A30 PolarHBondContact O-N 3.29Å; A30-R32 PolarHBondContact O-N 3.06Å; A30-Q33 PolarHBondContact O-N 3.21Å |
| 31 | A | 68.4 | Low | 68.4 | Low | 57 Ų | 57 | 98 Ų | 98 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -7.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A27 T29 | A27-A31 WeakPolarHBondContact O-CB 3.39Å; A27-A31 PolarHBondContact O-N 2.9Å; T29-A31 VanDerWaalsContact C-N 3.35Å; T29-A31 PolarHBondContact O-N 3.17Å |
| 32 | R | 64.9 | Low | 66.1 | Low | 213 Ų | 213 | 105.3 Ų | 105.3 | 80% | 0.804 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -6.9 | 178.6 | -75.9 | 175.8 | 176.4 | -165.8 | -2.6 | 114.2 | R28 T29 A30 P34 | R28-R32 VanDerWaalsContact O-CD 3.32Å; R28-R32 WeakPolarHBondContact O-CD 3.47Å; R28-R32 VanDerWaalsContact O-CG 3.28Å; R28-R32 WeakPolarHBondContact O-CG 3.43Å; T29-R32 PolarHBondContact O-N 3.43Å; T29-R32 VanDerWaalsContact O-N 3.12Å; A30-R32 PolarHBondContact O-N 3.06Å; R32-P34 WeakPolarHBondContact O-CD 3.19Å |
| 33 | Q | 55.6 | Low | 63.7 | Low | 146 Ų | 146 | 113.6 Ų | 113.6 | 68% | 0.682 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 117.8 | 174.9 | -69.7 | -169.9 | -14.9 | 0 | 0 | 109.5 | A30 | A30-Q33 PolarHBondContact O-N 3.21Š|
| 34 | P | 48.5 | Very low | 61.9 | Low | 91 Ų | 91 | 118.2 Ų | 118.2 | 59% | 0.591 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -68 | 147.4 | 173.5 | 30.1 | -34.4 | 0 | 0 | 0 | 109.8 | R32 H36 | R32-P34 WeakPolarHBondContact O-CD 3.19Å; P34-H36 PolarHBondContact O-N 2.92Å; P34-H36 VanDerWaalsContact O-N 3.15Å |
| 35 | P | 47.7 | Very low | 59.8 | Low | 109 Ų | 109 | 126.4 Ų | 126.4 | 71% | 0.708 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 118.1 | 175.3 | 26.5 | -33.3 | 0 | 0 | 0 | 109.8 | H37 | P35-H37 PolarHBondContact O-N 3.45Š|
| 36 | H | 41.4 | Very low | 57.8 | Low | 159 Ų | 159 | 129.7 Ų | 129.7 | 74% | 0.736 | 66% | 0.655 | S | S | * | * | trans | -70 | 68.9 | 179 | -79.3 | -74.5 | 0 | 0 | 0 | 112.7 | P34 H38 | P34-H36 PolarHBondContact O-N 2.92Å; P34-H36 VanDerWaalsContact O-N 3.15Å; H36-H38 PolarHBondContact O-N 3.03Å; H36-H38 VanDerWaalsContact O-N 3.14Å | ||
| 37 | H | 43.1 | Very low | 56 | Low | 172 Ų | 172 | 132.6 Ų | 132.6 | 80% | 0.796 | 68% | 0.678 | S | S | * | * | trans | -70.9 | 104 | 167.7 | -84.4 | 42.7 | 0 | 0 | 0 | 110 | P35 H39 | P35-H37 PolarHBondContact O-N 3.45Å; H37-H39 PolarHBondContact O-N 3.24Å; H37-H39 VanDerWaalsContact O-N 3.09Å | ||
| 38 | H | 42.2 | Very low | 54.4 | Low | 167 Ų | 167 | 134.8 Ų | 134.8 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | trans | -71.4 | 94.9 | 165.6 | -82.5 | 60.2 | 0 | 0 | 0 | 109.4 | H36 | H36-H38 PolarHBondContact O-N 3.03Å; H36-H38 VanDerWaalsContact O-N 3.14Å | ||
| 39 | H | 42.9 | Very low | 53.1 | Low | 179 Ų | 179 | 137 Ų | 137 | 83% | 0.829 | 73% | 0.727 | S | S | * | * | trans | -145.7 | 98.6 | 162.9 | -108.2 | 52.4 | 0 | 0 | 0 | 109.9 | H37 | H37-H39 PolarHBondContact O-N 3.24Å; H37-H39 VanDerWaalsContact O-N 3.09Å | ||
| 40 | P | 47.5 | Very low | 52 | Low | 116 Ų | 116 | 141.1 Ų | 141.1 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | trans | -82.6 | 112.7 | 166.4 | 31.7 | -28.2 | 0 | 0 | 0 | 109.2 | ||||
| 41 | H | 42.6 | Very low | 51.3 | Low | 196 Ų | 196 | 143.3 Ų | 143.3 | 91% | 0.907 | 75% | 0.751 | S | S | * | * | trans | -171.7 | 144.6 | 140.7 | -95.3 | -59.7 | 0 | 0 | 0 | 109.9 | ||||
| 42 | H | 47.8 | Very low | 50.8 | Low | 175 Ų | 175 | 146.1 Ų | 146.1 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -79 | 140.6 | -178.8 | -72.9 | -86.6 | 0 | 0 | 0 | 112.3 | ||||
| 43 | H | 44.7 | Very low | 50.6 | Low | 190 Ų | 190 | 141.5 Ų | 141.5 | 88% | 0.88 | 76% | 0.762 | S | S | * | * | -149 | 130.7 | 129.6 | -92.8 | -71.4 | 0 | 0 | 0 | 109.3 | |||||
| 44 | P | 57.9 | Low | 51 | Low | 98 Ų | 98 | 138.9 Ų | 138.9 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | -84 | 129.8 | 168.2 | 32.7 | -30.1 | 0 | 0 | 0 | 110 | ||||
| 45 | H | 49.3 | Very low | 52 | Low | 173 Ų | 173 | 138.7 Ų | 138.7 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | trans | 174.2 | 158.2 | 136.6 | -88.9 | -54.1 | 0 | 0 | 0 | 110.8 | ||||
| 46 | H | 49.4 | Very low | 53.5 | Low | 172 Ų | 172 | 136.5 Ų | 136.5 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | trans | 65.1 | 121.2 | -179.1 | -57.2 | -75 | 0 | 0 | 0 | 117.4 | G48 | H46-G48 PolarHBondContact O-N 2.98Å; H46-G48 VanDerWaalsContact O-N 3.08Å | ||
| 47 | P | 50.6 | Low | 55.7 | Low | 136 Ų | 136 | 129.5 Ų | 129.5 | 88% | 0.883 | 71% | 0.713 | S | S | * | * | trans | -73.2 | 96.6 | 160.3 | 31.2 | -30.5 | 0 | 0 | 0 | 108.5 | ||||
| 48 | G | 55 | Low | 58 | Low | 53 Ų | 53 | 122.4 Ų | 122.4 | 55% | 0.546 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 163 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | H46 M50 | H46-G48 PolarHBondContact O-N 2.98Å; H46-G48 VanDerWaalsContact O-N 3.08Å; G48-M50 PolarHBondContact O-N 3.24Å |
| 49 | P | 59.2 | Low | 60.5 | Low | 132 Ų | 132 | 114.8 Ų | 114.8 | 86% | 0.857 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 132.7 | 173.1 | -24.3 | 34.1 | 0 | 0 | 0 | 110.6 | ||
| 50 | M | 57.9 | Low | 63 | Low | 171 Ų | 171 | 106.3 Ų | 106.3 | 84% | 0.842 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 130.8 | 175.5 | -77.4 | -72 | -72.5 | 0 | 0 | 109.4 | G48 | G48-M50 PolarHBondContact O-N 3.24Š|
| 51 | P | 59.9 | Low | 65.4 | Low | 104 Ų | 104 | 101 Ų | 101 | 68% | 0.675 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -59 | 143.9 | 177.6 | 25.1 | -33.5 | 0 | 0 | 0 | 109.5 | ||
| 52 | P | 59.7 | Low | 68 | Low | 116 Ų | 116 | 91.8 Ų | 91.8 | 75% | 0.753 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 145.9 | 179.7 | 25.3 | -34.3 | 0 | 0 | 0 | 110.2 | ||
| 53 | P | 60.8 | Low | 70.3 | Confident | 116 Ų | 116 | 83.5 Ų | 83.5 | 75% | 0.753 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 143.7 | -179.9 | 24.8 | -34.2 | 0 | 0 | 0 | 110.4 | ||
| 54 | P | 63.6 | Low | 72.4 | Confident | 91 Ų | 91 | 77.5 Ų | 77.5 | 59% | 0.591 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -58 | 144.7 | 179.3 | 25.3 | -34.1 | 0 | 0 | 0 | 110.3 | ||
| 55 | P | 69.3 | Low | 74 | Confident | 88 Ų | 88 | 74.5 Ų | 74.5 | 57% | 0.571 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 148.4 | 178.3 | 26.3 | -34.6 | 0 | 0 | 0 | 110.5 | ||
| 56 | P | 78.5 | Confident | 76.2 | Confident | 62 Ų | 62 | 66.4 Ų | 66.4 | 40% | 0.403 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 148.5 | 179.9 | 25 | -34.7 | 0 | 0 | 0 | 111 | R58 G103 E105 | P56-R58 WeakPolarHBondContact O-CG 3.45Å; P56-G103 WeakPolarHBondContact CA-O 3.23Å; P56-G103 WeakPolarHBondContact CB-O 3.42Å; P56-E105 HydrophobicContact CG-CB 4.44Å |
| 57 | A | 87.9 | Confident | 78.2 | Confident | 13 Ų | 13 | 59.2 Ų | 59.2 | 11% | 0.107 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 149 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | A27 G103 L104 E105 | A27-A57 HydrophobicContact CB-CB 4.04Å; A57-G103 PolarHBondContact N-O 3.02Å; A57-L104 HydrophobicContact CB-CD1 3.96Å; A57-L104 CarbonylContact O-C 3.59Å; A57-L104 WeakPolarHBondContact O-CA 3.25Å; A57-E105 PolarHBondContact O-N 2.79Å |
| 58 | R | 91.2 | Very high | 80.2 | Confident | 22 Ų | 22 | 55.1 Ų | 55.1 | 8% | 0.083 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 122 | -172.3 | -48.1 | -177.9 | 73.2 | -134.4 | -3.5 | 109.1 | P56 E105 R172 Y191 F193 S194 | P56-R58 WeakPolarHBondContact O-CG 3.45Å; R58-E105 WeakPolarHBondContact CA-O 3.36Å; R58-E105 HydrophobicContact CG-CB 4.47Å; R58-E105 IonicContact CZ-OE2 3.74Å; R58-E105 VanDerWaalsContact CZ-OE2 3.24Å; R58-E105 IonicContact NE-OE2 2.79Å; R58-E105 PolarHBondContact NE-OE2 3.47Å; R58-E105 IonicContact NH2-OE1 3.32Å; R58-E105 IonicContact NH2-OE2 3.29Å; R58-E105 PolarHBondContact NH2-OE2 3.39Å; R58-R172 VanDerWaalsContact NH2-CZ 3.31Å; R58-Y191 PolarHBondContact NH1-O 3.46Å; R58-Y191 VanDerWaalsContact NH1-O 3.13Å; R58-F193 HydrophobicContact CB-CD1 3.69Å; R58-F193 HydrophobicContact CB-CE1 3.93Å; R58-F193 CarbonylContact O-C 3.5Å; R58-S194 PolarHBondContact N-OG 3.21Å; R58-S194 WeakPolarHBondContact O-CB 3.36Å; R58-S194 PolarHBondContact O-N 3.09Å; R58-S194 PolarHBondContact O-OG 2.95Å |
| 59 | I | 94.3 | Very high | 82 | Confident | 8 Ų | 8 | 53.3 Ų | 53.3 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 132 | 174.3 | -82.3 | 176.1 | 0 | 0 | 0 | 110.3 | L23 I61 L104 E105 V107 I197 F212 | L23-I59 HydrophobicContact CB-CD1 4.49Å; L23-I59 HydrophobicContact CD1-CD1 4.33Å; L23-I59 HydrophobicContact CD2-CD1 4.3Å; I59-I61 HydrophobicContact CG2-CG1 4.33Å; I59-L104 HydrophobicContact CB-CD1 4.01Å; I59-L104 HydrophobicContact CD1-CD1 3.85Å; I59-L104 HydrophobicContact CD1-CD2 4.07Å; I59-L104 HydrophobicContact CG1-CD1 3.8Å; I59-E105 PolarHBondContact N-O 2.85Å; I59-V107 PolarHBondContact O-N 3.26Å; I59-I197 HydrophobicContact CG2-CD1 3.7Å; I59-I197 HydrophobicContact CG2-CG1 3.81Å; I59-F212 HydrophobicContact CD1-CE2 4.22Å |
| 60 | L | 96.7 | Very high | 83.6 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 137.2 | 173.5 | -160.5 | 62.4 | 0 | 0 | 0 | 108.7 | V107 V109 V184 L187 F193 G195 L196 I197 | L60-V107 CarbonylContact C-O 3.58Å; L60-V107 WeakPolarHBondContact CA-O 3.44Å; L60-V107 HydrophobicContact CD1-CB 3.96Å; L60-V107 HydrophobicContact CD1-CG1 3.74Å; L60-V109 HydrophobicContact CD1-CG2 3.4Å; L60-V109 VanDerWaalsContact CD1-CG2 3.4Å; L60-V109 HydrophobicContact CD2-CG2 4.21Å; L60-V109 HydrophobicContact CG-CG2 3.82Å; L60-V184 HydrophobicContact CD2-CG1 4.21Å; L60-L187 HydrophobicContact CD2-CB 3.98Å; L60-F193 HydrophobicContact CB-CB 4.41Å; L60-F193 HydrophobicContact CB-CD1 3.83Å; L60-F193 HydrophobicContact CB-CD2 4.49Å; L60-F193 HydrophobicContact CB-CE1 4.2Å; L60-F193 HydrophobicContact CB-CG 3.99Å; L60-F193 HydrophobicContact CD1-CD1 4.39Å; L60-F193 HydrophobicContact CD1-CE1 3.95Å; L60-F193 HydrophobicContact CD1-CE2 4.04Å; L60-F193 HydrophobicContact CD1-CZ 3.76Å; L60-F193 HydrophobicContact CD2-CD2 4.48Å; L60-G195 PolarHBondContact N-O 2.91Å; L60-L196 HydrophobicContact CB-CD1 4.13Å; L60-L196 HydrophobicContact CD2-CD1 4.26Å; L60-L196 HydrophobicContact CG-CD1 4.24Å; L60-L196 CarbonylContact O-C 3.5Å; L60-L196 WeakPolarHBondContact O-CA 3.29Å; L60-I197 PolarHBondContact O-N 3.46Å |
| 61 | I | 97.5 | Very high | 85.3 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 123.1 | 172.9 | -49.7 | -172.9 | 0 | 0 | 0 | 107.5 | I59 A63 L106 V107 V108 V109 I197 | I59-I61 HydrophobicContact CG2-CG1 4.33Å; I61-A63 PolarHBondContact O-N 2.94Å; I61-L106 HydrophobicContact CD1-CD1 4.45Å; I61-L106 HydrophobicContact CD1-CD2 4.18Å; I61-V107 PolarHBondContact N-O 3.47Å; I61-V108 HydrophobicContact CB-CG2 4.28Å; I61-V108 HydrophobicContact CD1-CG2 4.38Å; I61-V108 WeakPolarHBondContact O-CA 3.49Å; I61-V109 PolarHBondContact O-N 3.32Å; I61-I197 WeakPolarHBondContact CA-O 3.39Å; I61-I197 HydrophobicContact CB-CB 4.5Å; I61-I197 HydrophobicContact CD1-CD1 4.25Å; I61-I197 HydrophobicContact CG1-CB 4.21Å; I61-I197 HydrophobicContact CG1-CD1 4.18Å; I61-I197 HydrophobicContact CG2-CB 4.28Å; I61-I197 HydrophobicContact CG2-CG2 4.33Å |
| 62 | D | 97.6 | Very high | 86.5 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 118.5 | 159 | 164 | 40.1 | 0 | 0 | 0 | 108.2 | D64 S65 S66 H180 I197 A198 F203 | D62-D64 PolarHBondContact OD1-N 3.07Å; D62-S65 WeakPolarHBondContact OD2-CB 3.47Å; D62-S65 PolarHBondContact OD2-N 3.48Å; D62-S65 PolarHBondContact OD2-OG 3.26Å; D62-S66 WeakPolarHBondContact O-CB 3.32Å; D62-S66 PolarHBondContact O-OG 3.41Å; D62-H180 IonicContact OD1-CE1 2.73Å; D62-H180 PolarHBondContact OD1-CE1 2.81Å; D62-H180 IonicContact OD1-NE2 2.87Å; D62-H180 PolarHBondContact OD1-NE2 3.48Å; D62-I197 PolarHBondContact N-O 3.22Å; D62-A198 HydrophobicContact CB-CB 3.91Å; D62-F203 HydrophobicContact CB-CE2 4.38Å |
| 63 | A | 95.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -70.7 | -37.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I61 S66 L67 L70 V108 V109 F110 | I61-A63 PolarHBondContact O-N 2.94Å; A63-S66 CarbonylContact O-C 3.53Å; A63-S66 WeakPolarHBondContact O-CA 3.44Å; A63-S66 PolarHBondContact O-N 3.44Å; A63-L67 WeakPolarHBondContact O-CD2 3.45Å; A63-L67 VanDerWaalsContact O-CG 3.27Å; A63-L67 WeakPolarHBondContact O-CG 3.46Å; A63-L67 PolarHBondContact O-N 3.36Å; A63-L70 HydrophobicContact CB-CD1 4.14Å; A63-V108 HydrophobicContact CB-CG1 3.75Å; A63-V109 VanDerWaalsContact CB-O 3.24Å; A63-V109 WeakPolarHBondContact CB-O 3.42Å; A63-V109 PolarHBondContact N-O 3.33Å; A63-F110 HydrophobicContact CB-CD1 3.44Å; A63-F110 VanDerWaalsContact CB-CD1 3.44Å; A63-F110 HydrophobicContact CB-CD2 4.17Å; A63-F110 HydrophobicContact CB-CE1 3.4Å; A63-F110 HydrophobicContact CB-CE2 4.13Å; A63-F110 HydrophobicContact CB-CG 3.85Å; A63-F110 HydrophobicContact CB-CZ 3.75Å |
| 64 | D | 89.4 | Confident | 88.2 | Confident | 64 Ų | 64 | 27.8 Ų | 27.8 | 34% | 0.342 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -46.2 | -167.2 | -93.5 | 62.2 | 0 | 0 | 0 | 111.4 | D62 S66 N111 | D62-D64 PolarHBondContact OD1-N 3.07Å; D64-S66 PolarHBondContact O-N 2.99Å; D64-N111 HydrophobicContact CB-CB 4.27Å; D64-N111 VanDerWaalsContact CG-CB 3.46Å; D64-N111 PolarHBondContact OD1-N 2.72Å; D64-N111 WeakPolarHBondContact OD2-CB 3.5Å |
| 65 | S | 91.1 | Very high | 88.5 | Confident | 35 Ų | 35 | 26.2 Ų | 26.2 | 25% | 0.245 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -10.5 | 170.4 | 67.8 | 0 | 0 | 0 | 0 | 113.8 | D62 A198 Q199 S214 | D62-S65 WeakPolarHBondContact OD2-CB 3.47Å; D62-S65 PolarHBondContact OD2-N 3.48Å; D62-S65 PolarHBondContact OD2-OG 3.26Å; S65-A198 WeakPolarHBondContact OG-CB 3.5Å; S65-Q199 PolarHBondContact OG-N 3.21Å; S65-S214 PolarHBondContact O-OG 3.24Å |
| 66 | S | 94.6 | Very high | 88.2 | Confident | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -2.1 | -179 | -56.5 | 0 | 0 | 0 | 0 | 114.8 | D62 A63 D64 Q68 R69 L70 S214 | D62-S66 WeakPolarHBondContact O-CB 3.32Å; D62-S66 PolarHBondContact O-OG 3.41Å; A63-S66 CarbonylContact O-C 3.53Å; A63-S66 WeakPolarHBondContact O-CA 3.44Å; A63-S66 PolarHBondContact O-N 3.44Å; D64-S66 PolarHBondContact O-N 2.99Å; S66-Q68 VanDerWaalsContact C-N 3.3Å; S66-Q68 PolarHBondContact O-N 3.45Å; S66-Q68 VanDerWaalsContact O-N 3.15Å; S66-R69 WeakPolarHBondContact O-CA 3.21Å; S66-R69 PolarHBondContact O-N 3.3Å; S66-L70 PolarHBondContact O-N 3.27Å; S66-S214 WeakPolarHBondContact OG-CB 3.46Å; S66-S214 PolarHBondContact OG-OG 2.92Å |
| 67 | L | 92.6 | Very high | 88.5 | Confident | 22 Ų | 22 | 22.7 Ų | 22.7 | 12% | 0.115 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -52.9 | -42.1 | -171.3 | -71.4 | -177.8 | 0 | 0 | 0 | 113.7 | A63 R69 L70 Y71 L158 | A63-L67 WeakPolarHBondContact O-CD2 3.45Å; A63-L67 VanDerWaalsContact O-CG 3.27Å; A63-L67 WeakPolarHBondContact O-CG 3.46Å; A63-L67 PolarHBondContact O-N 3.36Å; L67-R69 PolarHBondContact O-N 3.48Å; L67-L70 PolarHBondContact O-N 3.07Å; L67-Y71 VanDerWaalsContact O-CB 3.27Å; L67-Y71 WeakPolarHBondContact O-CB 3.24Å; L67-Y71 PolarHBondContact O-N 3.4Å; L67-L158 HydrophobicContact CB-CD2 4.19Å |
| 68 | Q | 91.3 | Very high | 88.7 | Confident | 50 Ų | 50 | 22.1 Ų | 22.1 | 23% | 0.234 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.1 | -32.1 | 177.4 | -174 | -178.7 | 35.2 | 0 | 0 | 112.8 | S66 R149 F152 | S66-Q68 VanDerWaalsContact C-N 3.3Å; S66-Q68 PolarHBondContact O-N 3.45Å; S66-Q68 VanDerWaalsContact O-N 3.15Å; Q68-R149 PolarHBondContact NE2-O 3.49Å; Q68-F152 HydrophobicContact CB-CD1 3.74Å; Q68-F152 HydrophobicContact CB-CE1 3.71Å; Q68-F152 HydrophobicContact CB-CG 4.24Å; Q68-F152 HydrophobicContact CB-CZ 4.18Å; Q68-F152 HydrophobicContact CG-CB 4.27Å; Q68-F152 HydrophobicContact CG-CD1 3.79Å; Q68-F152 HydrophobicContact CG-CD2 4Å; Q68-F152 HydrophobicContact CG-CE1 4.09Å; Q68-F152 HydrophobicContact CG-CE2 4.29Å; Q68-F152 HydrophobicContact CG-CG 3.74Å; Q68-F152 HydrophobicContact CG-CZ 4.33Å; Q68-F152 VanDerWaalsContact NE2-CB 3.3Å |
| 69 | R | 92.4 | Very high | 88.8 | Confident | 15 Ų | 15 | 21.2 Ų | 21.2 | 6% | 0.057 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -93.2 | -32.6 | -175.6 | -67.9 | -75.8 | -174.6 | -131.7 | -1.1 | 112 | S66 L67 Y71 G73 Y74 Y90 S214 H215 | S66-R69 WeakPolarHBondContact O-CA 3.21Å; S66-R69 PolarHBondContact O-N 3.3Å; L67-R69 PolarHBondContact O-N 3.48Å; R69-Y71 VanDerWaalsContact C-N 3.28Å; R69-G73 VanDerWaalsContact CD-O 3.31Å; R69-G73 WeakPolarHBondContact CD-O 3.42Å; R69-G73 PolarHBondContact NH1-O 3.24Å; R69-G73 WeakPolarHBondContact O-CA 3.41Å; R69-G73 PolarHBondContact O-N 3.43Å; R69-Y74 PolarHBondContact NH2-OH 3.15Å; R69-Y90 WeakPolarHBondContact O-CE1 3.48Å; R69-Y90 PolarHBondContact O-OH 3.31Å; R69-S214 VanDerWaalsContact CG-O 3.28Å; R69-S214 WeakPolarHBondContact CG-O 3.18Å; R69-H215 PolarHBondContact NE-O 3.08Å; R69-H215 PolarHBondContact NH2-CE1 3.21Å; R69-H215 PolarHBondContact NH2-NE2 2.84Å; R69-H215 VanDerWaalsContact NH2-NE2 3.12Å; R69-H215 PolarHBondContact NH2-O 2.77Å |
| 70 | L | 94.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.8 | -24.4 | 168.9 | -64.3 | 177.1 | 0 | 0 | 0 | 112.4 | A63 S66 L67 G72 L91 L94 V162 M166 | A63-L70 HydrophobicContact CB-CD1 4.14Å; S66-L70 PolarHBondContact O-N 3.27Å; L67-L70 PolarHBondContact O-N 3.07Å; L70-G72 PolarHBondContact O-N 2.99Å; L70-L91 HydrophobicContact CB-CD2 4.27Å; L70-L91 HydrophobicContact CD2-CD2 4.13Å; L70-L91 VanDerWaalsContact O-CD2 3.29Å; L70-L91 WeakPolarHBondContact O-CD2 3.27Å; L70-L91 WeakPolarHBondContact O-CG 3.26Å; L70-L94 HydrophobicContact CD2-CD2 4.27Å; L70-V162 HydrophobicContact CB-CG1 4.02Å; L70-V162 HydrophobicContact CD1-CG1 4.01Å; L70-M166 HydrophobicContact CD1-CE 4.43Å; L70-M166 HydrophobicContact CD2-CE 3.98Å |
| 71 | Y | 92.9 | Very high | 88.7 | Confident | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -29.7 | 176 | 175.4 | -110 | 0 | 0 | 0 | 114.4 | L67 R69 D77 W78 G82 E83 M87 F152 L158 | L67-Y71 VanDerWaalsContact O-CB 3.27Å; L67-Y71 WeakPolarHBondContact O-CB 3.24Å; L67-Y71 PolarHBondContact O-N 3.4Å; R69-Y71 VanDerWaalsContact C-N 3.28Å; Y71-D77 PolarHBondContact OH-O 3.49Å; Y71-W78 HydrophobicContact CE1-CB 3.82Å; Y71-W78 WeakPolarHBondContact OH-CA 3.47Å; Y71-G82 WeakPolarHBondContact OH-CA 3.36Å; Y71-E83 PolarHBondContact OH-N 3.3Å; Y71-M87 HydrophobicContact CD2-CB 4.3Å; Y71-M87 HydrophobicContact CD2-CG 4.35Å; Y71-M87 HydrophobicContact CD2-SD 4.25Å; Y71-M87 WeakPolarHBondContact O-CA 3.36Å; Y71-M87 WeakPolarHBondContact O-CB 3.44Å; Y71-M87 WeakPolarHBondContact O-CG 3.4Å; Y71-F152 HydrophobicContact CD1-CE2 4.02Å; Y71-F152 HydrophobicContact CG-CE2 4.39Å; Y71-L158 HydrophobicContact CD2-CD1 3.63Å; Y71-L158 HydrophobicContact CD2-CD2 4.41Å; Y71-L158 HydrophobicContact CE2-CD1 4.44Å; Y71-L158 HydrophobicContact CG-CD1 4.44Å |
| 72 | G | 84.1 | Confident | 88.6 | Confident | 3 Ų | 3 | 21.4 Ų | 21.4 | 3% | 0.031 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 168.9 | 25.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L70 Y74 Q75 | L70-G72 PolarHBondContact O-N 2.99Å; G72-Y74 PolarHBondContact O-N 3.18Å; G72-Q75 PolarHBondContact O-N 3.42Å |
| 73 | G | 83.1 | Confident | 88.4 | Confident | 5 Ų | 5 | 21.8 Ų | 21.8 | 5% | 0.052 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | -90.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R69 | R69-G73 VanDerWaalsContact CD-O 3.31Å; R69-G73 WeakPolarHBondContact CD-O 3.42Å; R69-G73 PolarHBondContact NH1-O 3.24Å; R69-G73 WeakPolarHBondContact O-CA 3.41Å; R69-G73 PolarHBondContact O-N 3.43Å |
| 74 | Y | 75 | Confident | 88.3 | Confident | 88 Ų | 88 | 21.8 Ų | 21.8 | 35% | 0.345 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | 11 | 178.1 | -77.8 | -100.6 | 0 | 0 | 0 | 113.8 | R69 G72 R149 H215 K218 | R69-Y74 PolarHBondContact NH2-OH 3.15Å; G72-Y74 PolarHBondContact O-N 3.18Å; Y74-R149 VanDerWaalsContact O-CZ 3.27Å; Y74-R149 PolarHBondContact O-NH1 3.46Å; Y74-R149 PolarHBondContact O-NH2 2.89Å; Y74-H215 PolarHBondContact OH-O 2.99Å; Y74-K218 HydrophobicContact CD2-CG 4.16Å; Y74-K218 HydrophobicContact CE2-CD 4.27Å; Y74-K218 HydrophobicContact CE2-CG 3.44Å; Y74-K218 VanDerWaalsContact CE2-CG 3.44Å; Y74-K218 WeakPolarHBondContact OH-CE 3.36Å |
| 75 | Q | 68.3 | Low | 88.5 | Confident | 58 Ų | 58 | 19.8 Ų | 19.8 | 27% | 0.271 | 10% | 0.102 | S | C | . | . | trans | -70 | 144.7 | 159.1 | -69.5 | 164.3 | -25.5 | 0 | 0 | 109 | G72 | G72-Q75 PolarHBondContact O-N 3.42Š| ||
| 76 | T | 64.3 | Low | 88.6 | Confident | 20 Ų | 20 | 19 Ų | 19 | 12% | 0.123 | 10% | 0.097 | C | C | . | . | trans | -145.2 | 17 | -167.6 | 60.2 | 0 | 0 | 0 | 0 | 114.6 | W78 R149 | T76-W78 PolarHBondContact O-N 3.17Å; T76-W78 PolarHBondContact O-NE1 3.45Å; T76-R149 HydrophobicContact CG2-CB 4.12Å; T76-R149 HydrophobicContact CG2-CG 3.7Å; T76-R149 PolarHBondContact OG1-NE 2.83Å; T76-R149 PolarHBondContact OG1-NH2 2.88Å | ||
| 77 | D | 83.8 | Confident | 88.6 | Confident | 56 Ų | 56 | 18.9 Ų | 18.9 | 30% | 0.299 | 10% | 0.096 | S | C | . | . | trans | -96.9 | 99.5 | 178.8 | -60.3 | -24.6 | 0 | 0 | 0 | 105.9 | Y71 E83 K784 | Y71-D77 PolarHBondContact OH-O 3.49Å; D77-E83 WeakPolarHBondContact CB-OE1 3.49Å; D77-E83 WeakPolarHBondContact O-CG 3.49Å; D77-K784 WeakPolarHBondContact OD2-CE 3.29Å; D77-K784 IonicContact OD2-NZ 3.62Å; D77-K784 PolarHBondContact OD2-NZ 3.19Å | ||
| 78 | W | 92.2 | Very high | 88.7 | Confident | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.008 | 10% | 0.096 | C | C | . | . | trans | -133.3 | -21.3 | -173.4 | 57 | -92.9 | 0 | 0 | 0 | 112.1 | Y71 T76 C80 G81 G82 I136 P147 W151 F152 L153 P155 I567 | Y71-W78 HydrophobicContact CE1-CB 3.82Å; Y71-W78 WeakPolarHBondContact OH-CA 3.47Å; T76-W78 PolarHBondContact O-N 3.17Å; T76-W78 PolarHBondContact O-NE1 3.45Å; W78-C80 PolarHBondContact O-N 3.44Å; W78-C80 VanDerWaalsContact O-N 3.12Å; W78-G81 PolarHBondContact O-N 2.84Å; W78-G81 VanDerWaalsContact O-N 3.09Å; W78-G82 PolarHBondContact O-N 2.88Å; W78-G82 VanDerWaalsContact O-N 3.1Å; W78-I136 HydrophobicContact CH2-CD1 3.42Å; W78-I136 VanDerWaalsContact CH2-CD1 3.42Å; W78-I136 HydrophobicContact CH2-CG1 3.79Å; W78-I136 HydrophobicContact CH2-CG2 4.03Å; W78-I136 HydrophobicContact CZ2-CD1 4.37Å; W78-I136 HydrophobicContact CZ3-CD1 4.1Å; W78-P147 HydrophobicContact CH2-CG 3.98Å; W78-P147 HydrophobicContact CZ2-CG 3.58Å; W78-W151 VanDerWaalsContact CZ2-O 3.28Å; W78-W151 WeakPolarHBondContact CZ2-O 3.25Å; W78-F152 HydrophobicContact CB-CE2 4.23Å; W78-F152 AromaticContact CD1-CD2 3.46Å; W78-F152 VanDerWaalsContact CD1-CD2 3.46Å; W78-F152 AromaticContact CD1-CE2 3.89Å; W78-F152 HydrophobicContact CD2-CD2 4.19Å; W78-F152 AromaticContact CG-CD2 3.82Å; W78-F152 HydrophobicContact CG-CD2 3.82Å; W78-F152 AromaticContact CG-CE2 3.93Å; W78-F152 HydrophobicContact CG-CE2 3.93Å; W78-F152 AromaticContact NE1-CD2 3.72Å; W78-L153 HydrophobicContact CH2-CB 4.3Å; W78-L153 HydrophobicContact CZ3-CB 4.05Å; W78-L153 WeakPolarHBondContact CZ3-O 3.33Å; W78-P155 HydrophobicContact CB-CG 4.02Å; W78-I567 HydrophobicContact CE3-CD1 4.14Å; W78-I567 HydrophobicContact CZ3-CD1 3.6Å; W78-I567 HydrophobicContact CZ3-CG1 4.16Å | ||
| 79 | V | 94.3 | Very high | 88.8 | Confident | 3 Ų | 3 | 18.3 Ų | 18.3 | 2% | 0.018 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28.6 | -172.6 | 69.9 | 0 | 0 | 0 | 0 | 112.9 | G81 I136 V140 P147 I567 V741 V746 | V79-G81 PolarHBondContact O-N 3.41Å; V79-I136 HydrophobicContact CG2-CG2 3.53Å; V79-V140 HydrophobicContact CG2-CG2 4.1Å; V79-P147 HydrophobicContact CB-CG 3.99Å; V79-P147 HydrophobicContact CG1-CG 4.45Å; V79-P147 HydrophobicContact CG2-CG 4Å; V79-I567 HydrophobicContact CG2-CD1 4.35Å; V79-I567 WeakPolarHBondContact O-CD1 3.22Å; V79-V741 HydrophobicContact CG1-CG1 4.41Å; V79-V746 HydrophobicContact CG2-CG1 3.93Å; V79-V746 HydrophobicContact CG2-CG2 4.07Å |
| 80 | C | 94.8 | Very high | 88.9 | Confident | 14 Ų | 14 | 19 Ų | 19 | 10% | 0.095 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 16.5 | -179.9 | -50.7 | 0 | 0 | 0 | 0 | 113.8 | W78 A749 G783 Q787 | W78-C80 PolarHBondContact O-N 3.44Å; W78-C80 VanDerWaalsContact O-N 3.12Å; C80-A749 WeakPolarHBondContact O-CB 3.3Å; C80-G783 VanDerWaalsContact CB-O 3.23Å; C80-G783 WeakPolarHBondContact CB-O 3.22Å; C80-G783 WeakPolarHBondContact O-CA 3.24Å; C80-Q787 HydrophobicContact CB-CG 3.89Å |
| 81 | G | 94.4 | Very high | 89 | Confident | 2 Ų | 2 | 19.1 Ų | 19.1 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | 7.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | W78 V79 W84 M753 | W78-G81 PolarHBondContact O-N 2.84Å; W78-G81 VanDerWaalsContact O-N 3.09Å; V79-G81 PolarHBondContact O-N 3.41Å; G81-W84 WeakPolarHBondContact O-CZ2 3.48Å; G81-W84 PolarHBondContact O-NE1 2.95Å; G81-M753 WeakPolarHBondContact O-CG 3.43Å |
| 82 | G | 94.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | 99.5 | 152.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y71 W78 W84 G783 | Y71-G82 WeakPolarHBondContact OH-CA 3.36Å; W78-G82 PolarHBondContact O-N 2.88Å; W78-G82 VanDerWaalsContact O-N 3.1Å; G82-W84 PolarHBondContact O-NE1 3.39Å; G82-G783 PolarHBondContact O-N 2.95Å | ||
| 83 | E | 93.4 | Very high | 89.6 | Confident | 11 Ų | 11 | 22.2 Ų | 22.2 | 5% | 0.051 | 13% | 0.134 | C | C | . | . | trans | -112.7 | 80.5 | 178.9 | -72 | 176.6 | -167 | 0 | 0 | 109.2 | Y71 D77 N85 A86 M87 D782 K784 | Y71-E83 PolarHBondContact OH-N 3.3Å; D77-E83 WeakPolarHBondContact CB-OE1 3.49Å; D77-E83 WeakPolarHBondContact O-CG 3.49Å; E83-N85 PolarHBondContact O-N 2.82Å; E83-A86 HydrophobicContact CB-CB 4.08Å; E83-A86 PolarHBondContact O-N 3.2Å; E83-M87 PolarHBondContact O-N 3.32Å; E83-D782 VanDerWaalsContact CA-OD2 3.31Å; E83-D782 WeakPolarHBondContact CA-OD2 3.44Å; E83-K784 WeakPolarHBondContact OE1-CD 3.38Å; E83-K784 WeakPolarHBondContact OE1-CE 3.42Å; E83-K784 WeakPolarHBondContact OE1-CG 3.33Å; E83-K784 IonicContact OE1-NZ 3.66Å; E83-K784 PolarHBondContact OE1-NZ 3.14Å; E83-K784 IonicContact OE2-NZ 2.74Å; E83-K784 PolarHBondContact OE2-NZ 3.43Å | ||
| 84 | W | 94.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -76.4 | -27.6 | -159.3 | -59.7 | 97.3 | 0 | 0 | 0 | 113.4 | G81 G82 M87 L88 P155 L158 C161 M753 P777 W778 F781 | G81-W84 WeakPolarHBondContact O-CZ2 3.48Å; G81-W84 PolarHBondContact O-NE1 2.95Å; G82-W84 PolarHBondContact O-NE1 3.39Å; W84-M87 HydrophobicContact CE3-CE 3.76Å; W84-M87 HydrophobicContact CE3-SD 4.06Å; W84-M87 HydrophobicContact CZ3-CE 4.23Å; W84-M87 HydrophobicContact CZ3-SD 4.18Å; W84-L88 WeakPolarHBondContact O-CB 3.49Å; W84-L88 PolarHBondContact O-N 2.9Å; W84-P155 HydrophobicContact CH2-CB 3.96Å; W84-P155 HydrophobicContact CZ2-CB 3.71Å; W84-P155 HydrophobicContact CZ2-CG 4.48Å; W84-L158 HydrophobicContact CH2-CB 4.17Å; W84-L158 HydrophobicContact CH2-CD1 4.24Å; W84-L158 HydrophobicContact CZ3-CB 4.44Å; W84-L158 HydrophobicContact CZ3-CD1 3.82Å; W84-C161 HydrophobicContact CE3-CB 4.14Å; W84-C161 HydrophobicContact CZ3-CB 3.7Å; W84-M753 HydrophobicContact CH2-CE 4.25Å; W84-M753 HydrophobicContact CZ2-CE 3.47Å; W84-M753 VanDerWaalsContact CZ2-CE 3.47Å; W84-M753 HydrophobicContact CZ2-SD 4.49Å; W84-P777 HydrophobicContact CB-CB 4.15Å; W84-P777 HydrophobicContact CD2-CB 3.71Å; W84-P777 HydrophobicContact CD2-CG 4.01Å; W84-P777 HydrophobicContact CE3-CB 4.39Å; W84-P777 HydrophobicContact CE3-CG 4.29Å; W84-P777 HydrophobicContact CG-CB 3.56Å; W84-P777 HydrophobicContact CG-CG 4.38Å; W84-P777 HydrophobicContact CZ2-CG 4.41Å; W84-W778 HydrophobicContact CB-CB 3.8Å; W84-F781 AromaticContact CD1-CD1 3.96Å; W84-F781 AromaticContact NE1-CD1 3.83Å |
| 85 | N | 93.4 | Very high | 91.1 | Very high | 23 Ų | 23 | 18.5 Ų | 18.5 | 12% | 0.123 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -76.2 | -33.9 | 172 | -80.7 | -54.7 | 0 | 0 | 0 | 112.6 | E83 L88 G89 L727 L733 W778 | E83-N85 PolarHBondContact O-N 2.82Å; N85-L88 PolarHBondContact O-N 3.28Å; N85-G89 PolarHBondContact O-N 3.5Å; N85-L727 PolarHBondContact ND2-O 2.89Å; N85-L733 HydrophobicContact CB-CD1 4.35Å; N85-W778 PolarHBondContact ND2-O 3.37Å |
| 86 | A | 92.4 | Very high | 92.3 | Very high | 19 Ų | 19 | 20.5 Ų | 20.5 | 16% | 0.157 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.3 | -45.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E83 L88 G89 Y90 | E83-A86 HydrophobicContact CB-CB 4.08Å; E83-A86 PolarHBondContact O-N 3.2Å; A86-L88 PolarHBondContact O-N 2.96Å; A86-G89 PolarHBondContact O-N 2.83Å; A86-Y90 WeakPolarHBondContact O-CB 3.31Å; A86-Y90 PolarHBondContact O-N 2.72Å |
| 87 | M | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.7 | -48.8 | 171 | 179.9 | -168.9 | 76.4 | 0 | 0 | 112.1 | Y71 E83 W84 G89 Y90 L91 L158 C161 V162 W778 | Y71-M87 HydrophobicContact CD2-CB 4.3Å; Y71-M87 HydrophobicContact CD2-CG 4.35Å; Y71-M87 HydrophobicContact CD2-SD 4.25Å; Y71-M87 WeakPolarHBondContact O-CA 3.36Å; Y71-M87 WeakPolarHBondContact O-CB 3.44Å; Y71-M87 WeakPolarHBondContact O-CG 3.4Å; E83-M87 PolarHBondContact O-N 3.32Å; W84-M87 HydrophobicContact CE3-CE 3.76Å; W84-M87 HydrophobicContact CE3-SD 4.06Å; W84-M87 HydrophobicContact CZ3-CE 4.23Å; W84-M87 HydrophobicContact CZ3-SD 4.18Å; M87-G89 VanDerWaalsContact C-N 3.34Å; M87-G89 PolarHBondContact O-N 3.47Å; M87-Y90 PolarHBondContact O-N 3.31Å; M87-L91 HydrophobicContact CG-CD1 4.02Å; M87-L91 HydrophobicContact CG-CG 4.46Å; M87-L91 WeakPolarHBondContact O-CB 3.33Å; M87-L91 WeakPolarHBondContact O-CG 3.38Å; M87-L91 PolarHBondContact O-N 3.44Å; M87-L158 HydrophobicContact SD-CD1 3.57Å; M87-L158 VanDerWaalsContact SD-CD1 3.57Å; M87-C161 HydrophobicContact CE-CB 4.17Å; M87-V162 HydrophobicContact SD-CG2 3.73Å; M87-W778 HydrophobicContact CE-CE3 3.73Å; M87-W778 HydrophobicContact CE-CZ3 3.56Å |
| 88 | L | 94.8 | Very high | 94.2 | Very high | 19 Ų | 19 | 17 Ų | 17 | 10% | 0.099 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.3 | -41.3 | -177.4 | -168 | 67.5 | 0 | 0 | 0 | 111.6 | W84 N85 A86 A92 A165 F169 W778 | W84-L88 WeakPolarHBondContact O-CB 3.49Å; W84-L88 PolarHBondContact O-N 2.9Å; N85-L88 PolarHBondContact O-N 3.28Å; A86-L88 PolarHBondContact O-N 2.96Å; L88-A92 WeakPolarHBondContact O-CB 3.43Å; L88-A92 PolarHBondContact O-N 3.16Å; L88-A165 HydrophobicContact CD1-CB 3.86Å; L88-F169 HydrophobicContact CD1-CE2 3.92Å; L88-F169 HydrophobicContact CD1-CZ 3.67Å; L88-F169 HydrophobicContact CG-CZ 4.01Å; L88-F169 WeakPolarHBondContact O-CZ 3.47Å; L88-W778 HydrophobicContact CD1-CD2 4.09Å; L88-W778 HydrophobicContact CD1-CE3 4.11Å; L88-W778 HydrophobicContact CD1-CH2 4.15Å; L88-W778 HydrophobicContact CD1-CZ2 4.1Å; L88-W778 HydrophobicContact CD1-CZ3 4.14Å; L88-W778 HydrophobicContact CD2-CB 4.33Å; L88-W778 HydrophobicContact CD2-CD2 3.94Å; L88-W778 HydrophobicContact CD2-CG 3.79Å; L88-W778 HydrophobicContact CG-CD2 4.44Å |
| 89 | G | 93.8 | Very high | 94.1 | Very high | 41 Ų | 41 | 21.4 Ų | 21.4 | 42% | 0.423 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -64.6 | -43.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N85 A86 M87 A92 A93 | N85-G89 PolarHBondContact O-N 3.5Å; A86-G89 PolarHBondContact O-N 2.83Å; M87-G89 VanDerWaalsContact C-N 3.34Å; M87-G89 PolarHBondContact O-N 3.47Å; G89-A92 WeakPolarHBondContact O-CB 3.07Å; G89-A92 PolarHBondContact O-N 3.43Å; G89-A93 WeakPolarHBondContact O-CB 3.06Å; G89-A93 PolarHBondContact O-N 3.16Å |
| 90 | Y | 94.3 | Very high | 93.8 | Very high | 30 Ų | 30 | 28.7 Ų | 28.7 | 12% | 0.118 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.5 | -45.5 | 175 | 173 | -100.1 | 0 | 0 | 0 | 112.2 | R69 A86 M87 A92 A93 L94 L219 | R69-Y90 WeakPolarHBondContact O-CE1 3.48Å; R69-Y90 PolarHBondContact O-OH 3.31Å; A86-Y90 WeakPolarHBondContact O-CB 3.31Å; A86-Y90 PolarHBondContact O-N 2.72Å; M87-Y90 PolarHBondContact O-N 3.31Å; Y90-A92 VanDerWaalsContact C-N 3.34Å; Y90-A92 PolarHBondContact O-N 3.03Å; Y90-A93 PolarHBondContact O-N 3.18Å; Y90-L94 HydrophobicContact CE1-CD2 4.26Å; Y90-L94 WeakPolarHBondContact O-CB 3.39Å; Y90-L94 PolarHBondContact O-N 3.13Å; Y90-L219 HydrophobicContact CE2-CB 4.34Å |
| 91 | L | 95.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.1 | -34.7 | 177.9 | -71.3 | 179.5 | 0 | 0 | 0 | 112.4 | L70 M87 L94 S95 V162 A165 M166 F169 | L70-L91 HydrophobicContact CB-CD2 4.27Å; L70-L91 HydrophobicContact CD2-CD2 4.13Å; L70-L91 VanDerWaalsContact O-CD2 3.29Å; L70-L91 WeakPolarHBondContact O-CD2 3.27Å; L70-L91 WeakPolarHBondContact O-CG 3.26Å; M87-L91 HydrophobicContact CG-CD1 4.02Å; M87-L91 HydrophobicContact CG-CG 4.46Å; M87-L91 WeakPolarHBondContact O-CB 3.33Å; M87-L91 WeakPolarHBondContact O-CG 3.38Å; M87-L91 PolarHBondContact O-N 3.44Å; L91-L94 HydrophobicContact CD2-CD2 4.41Å; L91-S95 WeakPolarHBondContact O-CB 3.18Å; L91-S95 PolarHBondContact O-N 3.1Å; L91-V162 HydrophobicContact CD1-CG1 4.15Å; L91-V162 HydrophobicContact CD1-CG2 4.41Å; L91-A165 HydrophobicContact CD1-CB 3.72Å; L91-M166 HydrophobicContact CD1-CE 4.42Å; L91-M166 HydrophobicContact CD2-CE 3.63Å; L91-F169 HydrophobicContact CB-CD2 4.12Å; L91-F169 HydrophobicContact CB-CE2 3.7Å |
| 92 | A | 95.2 | Very high | 92.9 | Very high | 26 Ų | 26 | 32 Ų | 32 | 22% | 0.215 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60 | -54.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L88 G89 Y90 L94 S95 Q96 F169 | L88-A92 WeakPolarHBondContact O-CB 3.43Å; L88-A92 PolarHBondContact O-N 3.16Å; G89-A92 WeakPolarHBondContact O-CB 3.07Å; G89-A92 PolarHBondContact O-N 3.43Å; Y90-A92 VanDerWaalsContact C-N 3.34Å; Y90-A92 PolarHBondContact O-N 3.03Å; A92-L94 VanDerWaalsContact C-N 3.32Å; A92-L94 PolarHBondContact O-N 2.98Å; A92-S95 PolarHBondContact O-N 3.45Å; A92-Q96 WeakPolarHBondContact O-CB 2.95Å; A92-Q96 WeakPolarHBondContact O-CG 3.26Å; A92-Q96 PolarHBondContact O-N 2.91Å; A92-F169 HydrophobicContact CB-CD1 4.19Å; A92-F169 HydrophobicContact CB-CE1 3.52Å; A92-F169 HydrophobicContact CB-CE2 4.21Å; A92-F169 HydrophobicContact CB-CZ 3.53Å |
| 93 | A | 94.8 | Very high | 92.5 | Very high | 46 Ų | 46 | 33.7 Ų | 33.7 | 38% | 0.38 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.1 | -41.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G89 Y90 A97 L219 | G89-A93 WeakPolarHBondContact O-CB 3.06Å; G89-A93 PolarHBondContact O-N 3.16Å; Y90-A93 PolarHBondContact O-N 3.18Å; A93-A97 VanDerWaalsContact O-CB 3.24Å; A93-A97 WeakPolarHBondContact O-CB 3.36Å; A93-A97 PolarHBondContact O-N 3.13Å; A93-L219 HydrophobicContact CB-CD2 3.76Å |
| 94 | L | 95.4 | Very high | 92.3 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.5 | -49.5 | 175.2 | -179.9 | 62 | 0 | 0 | 0 | 111.8 | L70 Y90 L91 A92 Q96 A97 C98 L106 L219 L226 | L70-L94 HydrophobicContact CD2-CD2 4.27Å; Y90-L94 HydrophobicContact CE1-CD2 4.26Å; Y90-L94 WeakPolarHBondContact O-CB 3.39Å; Y90-L94 PolarHBondContact O-N 3.13Å; L91-L94 HydrophobicContact CD2-CD2 4.41Å; A92-L94 VanDerWaalsContact C-N 3.32Å; A92-L94 PolarHBondContact O-N 2.98Å; L94-Q96 PolarHBondContact O-N 2.82Å; L94-A97 PolarHBondContact O-N 2.86Å; L94-C98 PolarHBondContact O-N 3.34Å; L94-C98 PolarHBondContact O-SG 3.28Å; L94-L106 HydrophobicContact CG-CD1 4.3Å; L94-L219 HydrophobicContact CB-CD2 4.46Å; L94-L226 HydrophobicContact CD1-CD1 3.75Å; L94-L226 HydrophobicContact CD1-CD2 3.8Å; L94-L226 HydrophobicContact CD1-CG 4.46Å |
| 95 | S | 94.8 | Very high | 92.2 | Very high | 12 Ų | 12 | 35.1 Ų | 35.1 | 8% | 0.084 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.5 | -40.5 | 179.4 | -168.8 | 0 | 0 | 0 | 0 | 112.2 | L91 A92 L99 V171 | L91-S95 WeakPolarHBondContact O-CB 3.18Å; L91-S95 PolarHBondContact O-N 3.1Å; A92-S95 PolarHBondContact O-N 3.45Å; S95-L99 WeakPolarHBondContact O-CB 3.45Å; S95-L99 PolarHBondContact O-N 3.38Å; S95-V171 VanDerWaalsContact OG-CG2 3.3Å; S95-V171 WeakPolarHBondContact OG-CG2 3.47Å |
| 96 | Q | 94.1 | Very high | 92.2 | Very high | 101 Ų | 101 | 34.5 Ų | 34.5 | 47% | 0.472 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.9 | -42.7 | 178.5 | -66.8 | -75.4 | -32 | 0 | 0 | 111.5 | A92 L94 Y100 | A92-Q96 WeakPolarHBondContact O-CB 2.95Å; A92-Q96 WeakPolarHBondContact O-CG 3.26Å; A92-Q96 PolarHBondContact O-N 2.91Å; L94-Q96 PolarHBondContact O-N 2.82Å; Q96-Y100 WeakPolarHBondContact O-CB 3.29Å; Q96-Y100 WeakPolarHBondContact O-CD2 3.28Å; Q96-Y100 PolarHBondContact O-N 2.89Å; Q96-Y100 VanDerWaalsContact OE1-CD2 3.25Å |
| 97 | A | 94.3 | Very high | 92.4 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -63 | -47.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L24 A93 L94 Q101 G102 L219 G223 | L24-A97 HydrophobicContact CD1-CB 4.31Å; A93-A97 VanDerWaalsContact O-CB 3.24Å; A93-A97 WeakPolarHBondContact O-CB 3.36Å; A93-A97 PolarHBondContact O-N 3.13Å; L94-A97 PolarHBondContact O-N 2.86Å; A97-Q101 CarbonylContact O-C 3.6Å; A97-Q101 WeakPolarHBondContact O-CA 3.39Å; A97-Q101 VanDerWaalsContact O-CB 3.25Å; A97-Q101 WeakPolarHBondContact O-CB 3.23Å; A97-Q101 PolarHBondContact O-N 3.11Å; A97-G102 PolarHBondContact O-N 3.32Å; A97-L219 HydrophobicContact CB-CD1 3.61Å; A97-G223 WeakPolarHBondContact CB-O 3.46Å |
| 98 | C | 93.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -60.1 | -50.5 | 177.4 | -68.9 | 0 | 0 | 0 | 0 | 111.8 | L94 G102 G103 L104 L106 | L94-C98 PolarHBondContact O-N 3.34Å; L94-C98 PolarHBondContact O-SG 3.28Å; C98-G102 CarbonylContact O-C 3.52Å; C98-G102 WeakPolarHBondContact O-CA 3.5Å; C98-G102 PolarHBondContact O-N 3.44Å; C98-G103 PolarHBondContact O-N 3.31Å; C98-L104 CarbonylContact C-O 3.56Å; C98-L104 HydrophobicContact CB-CB 4.19Å; C98-L104 HydrophobicContact CB-CD2 4.11Å; C98-L104 HydrophobicContact CB-CG 4.4Å; C98-L104 WeakPolarHBondContact O-CB 3.23Å; C98-L104 PolarHBondContact O-N 3.23Å; C98-L106 HydrophobicContact CB-CD1 4.05Å; C98-L106 HydrophobicContact CB-CD2 4.14Å; C98-L106 HydrophobicContact CB-CG 3.84Å |
| 99 | L | 89.4 | Confident | 92.7 | Very high | 93 Ų | 93 | 32.7 Ų | 32.7 | 49% | 0.487 | 19% | 0.185 | S | C | . | . | I | π-helix | trans | -66.8 | -56.5 | -177.1 | -176.8 | 57.5 | 0 | 0 | 0 | 112.5 | S95 G103 | S95-L99 WeakPolarHBondContact O-CB 3.45Å; S95-L99 PolarHBondContact O-N 3.38Å; L99-G103 PolarHBondContact O-N 2.87Å |
| 100 | Y | 88.5 | Confident | 92.8 | Very high | 157 Ų | 157 | 30.9 Ų | 30.9 | 62% | 0.616 | 17% | 0.165 | S | C | * | . | I | π-helix | trans | -94.2 | -26.4 | -168.4 | -60.9 | -75.9 | 0 | 0 | 0 | 114.7 | Q96 | Q96-Y100 WeakPolarHBondContact O-CB 3.29Å; Q96-Y100 WeakPolarHBondContact O-CD2 3.28Å; Q96-Y100 PolarHBondContact O-N 2.89Å; Q96-Y100 VanDerWaalsContact OE1-CD2 3.25Å |
| 101 | Q | 86.1 | Confident | 92.9 | Very high | 82 Ų | 82 | 32 Ų | 32 | 38% | 0.383 | 17% | 0.173 | S | C | . | . | I | π-helix | trans | -97.3 | -31 | 176.9 | -57.5 | -66.1 | -49.1 | 0 | 0 | 112.3 | L24 R28 A97 | L24-Q101 HydrophobicContact CD1-CB 4.21Å; R28-Q101 VanDerWaalsContact CD-O 3.25Å; R28-Q101 WeakPolarHBondContact CD-O 3.45Å; R28-Q101 PolarHBondContact NE-O 3.17Å; R28-Q101 PolarHBondContact NH1-O 3.49Å; A97-Q101 CarbonylContact O-C 3.6Å; A97-Q101 WeakPolarHBondContact O-CA 3.39Å; A97-Q101 VanDerWaalsContact O-CB 3.25Å; A97-Q101 WeakPolarHBondContact O-CB 3.23Å; A97-Q101 PolarHBondContact O-N 3.11Å |
| 102 | G | 82.6 | Confident | 92.7 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -98.7 | -29.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | A27 A97 C98 | A27-G102 WeakPolarHBondContact CB-O 3.26Å; A97-G102 PolarHBondContact O-N 3.32Å; C98-G102 CarbonylContact O-C 3.52Å; C98-G102 WeakPolarHBondContact O-CA 3.5Å; C98-G102 PolarHBondContact O-N 3.44Å |
| 103 | G | 86.6 | Confident | 92.6 | Very high | 35 Ų | 35 | 31.5 Ų | 31.5 | 36% | 0.361 | 17% | 0.169 | S | C | . | . | trans | 68.1 | 38.6 | -166 | 0 | 0 | 0 | 0 | 0 | 112.2 | P56 A57 C98 L99 | P56-G103 WeakPolarHBondContact CA-O 3.23Å; P56-G103 WeakPolarHBondContact CB-O 3.42Å; A57-G103 PolarHBondContact N-O 3.02Å; C98-G103 PolarHBondContact O-N 3.31Å; L99-G103 PolarHBondContact O-N 2.87Å | ||
| 104 | L | 90.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 116.5 | -168 | -180 | 71.7 | 0 | 0 | 0 | 111.1 | A27 A57 I59 C98 L106 | A27-L104 HydrophobicContact CB-CB 4.24Å; A27-L104 HydrophobicContact CB-CD1 4.23Å; A57-L104 HydrophobicContact CB-CD1 3.96Å; A57-L104 CarbonylContact O-C 3.59Å; A57-L104 WeakPolarHBondContact O-CA 3.25Å; I59-L104 HydrophobicContact CB-CD1 4.01Å; I59-L104 HydrophobicContact CD1-CD1 3.85Å; I59-L104 HydrophobicContact CD1-CD2 4.07Å; I59-L104 HydrophobicContact CG1-CD1 3.8Å; C98-L104 CarbonylContact C-O 3.56Å; C98-L104 HydrophobicContact CB-CB 4.19Å; C98-L104 HydrophobicContact CB-CD2 4.11Å; C98-L104 HydrophobicContact CB-CG 4.4Å; C98-L104 WeakPolarHBondContact O-CB 3.23Å; C98-L104 PolarHBondContact O-N 3.23Å; L104-L106 HydrophobicContact CD2-CD2 4.09Å; L104-L106 HydrophobicContact CG-CD2 4.37Å |
| 105 | E | 91.6 | Very high | 91.8 | Very high | 37 Ų | 37 | 30 Ų | 30 | 17% | 0.173 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 123.8 | 167 | -170.5 | -168.7 | -164 | 0 | 0 | 109.3 | P56 A57 R58 I59 V107 R172 | P56-E105 HydrophobicContact CG-CB 4.44Å; A57-E105 PolarHBondContact O-N 2.79Å; R58-E105 WeakPolarHBondContact CA-O 3.36Å; R58-E105 HydrophobicContact CG-CB 4.47Å; R58-E105 IonicContact CZ-OE2 3.74Å; R58-E105 VanDerWaalsContact CZ-OE2 3.24Å; R58-E105 IonicContact NE-OE2 2.79Å; R58-E105 PolarHBondContact NE-OE2 3.47Å; R58-E105 IonicContact NH2-OE1 3.32Å; R58-E105 IonicContact NH2-OE2 3.29Å; R58-E105 PolarHBondContact NH2-OE2 3.39Å; I59-E105 PolarHBondContact N-O 2.85Å; E105-V107 HydrophobicContact CG-CG2 4.32Å; E105-R172 IonicContact OE1-CZ 3.35Å; E105-R172 IonicContact OE1-NE 3.76Å; E105-R172 PolarHBondContact OE1-NE 2.87Å; E105-R172 IonicContact OE1-NH2 3.83Å; E105-R172 PolarHBondContact OE1-NH2 2.84Å; E105-R172 IonicContact OE2-NH2 3.31Å; E105-R172 PolarHBondContact OE2-NH2 3.27Å |
| 106 | L | 94.2 | Very high | 91.3 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 6% | 0.058 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 136.6 | 166.2 | -64.1 | -173.8 | 0 | 0 | 0 | 110.6 | I61 L94 C98 L104 V171 | I61-L106 HydrophobicContact CD1-CD1 4.45Å; I61-L106 HydrophobicContact CD1-CD2 4.18Å; L94-L106 HydrophobicContact CG-CD1 4.3Å; C98-L106 HydrophobicContact CB-CD1 4.05Å; C98-L106 HydrophobicContact CB-CD2 4.14Å; C98-L106 HydrophobicContact CB-CG 3.84Å; L104-L106 HydrophobicContact CD2-CD2 4.09Å; L104-L106 HydrophobicContact CG-CD2 4.37Å; L106-V171 HydrophobicContact CB-CG1 3.94Å; L106-V171 HydrophobicContact CB-CG2 4.44Å |
| 107 | V | 95.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 129.9 | 168.7 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | I59 L60 I61 E105 R172 V174 F193 F363 | I59-V107 PolarHBondContact O-N 3.26Å; L60-V107 CarbonylContact C-O 3.58Å; L60-V107 WeakPolarHBondContact CA-O 3.44Å; L60-V107 HydrophobicContact CD1-CB 3.96Å; L60-V107 HydrophobicContact CD1-CG1 3.74Å; I61-V107 PolarHBondContact N-O 3.47Å; E105-V107 HydrophobicContact CG-CG2 4.32Å; V107-R172 CarbonylContact C-O 3.54Å; V107-R172 WeakPolarHBondContact CA-O 3.46Å; V107-R172 HydrophobicContact CB-CB 4.49Å; V107-R172 HydrophobicContact CG1-CB 4.28Å; V107-R172 HydrophobicContact CG2-CB 4.03Å; V107-V174 HydrophobicContact CG1-CG2 4.23Å; V107-F193 HydrophobicContact CB-CE1 3.66Å; V107-F193 HydrophobicContact CB-CZ 3.86Å; V107-F193 HydrophobicContact CG1-CE1 4.31Å; V107-F193 HydrophobicContact CG1-CZ 4Å; V107-F193 HydrophobicContact CG2-CE1 3.51Å; V107-F193 HydrophobicContact CG2-CZ 3.76Å; V107-F363 HydrophobicContact CG1-CZ 3.83Å |
| 108 | V | 97.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 124 | -172.1 | -178 | 0 | 0 | 0 | 0 | 109.6 | I61 A63 F110 M166 V171 R172 V173 V174 | I61-V108 HydrophobicContact CB-CG2 4.28Å; I61-V108 HydrophobicContact CD1-CG2 4.38Å; I61-V108 WeakPolarHBondContact O-CA 3.49Å; A63-V108 HydrophobicContact CB-CG1 3.75Å; V108-F110 HydrophobicContact CB-CE2 4.31Å; V108-F110 HydrophobicContact CG1-CD2 4.21Å; V108-F110 HydrophobicContact CG1-CE2 3.53Å; V108-F110 HydrophobicContact CG1-CZ 3.89Å; V108-M166 HydrophobicContact CB-CG 4.37Å; V108-M166 HydrophobicContact CG1-CG 4.49Å; V108-M166 HydrophobicContact CG2-CE 3.99Å; V108-M166 HydrophobicContact CG2-CG 4.17Å; V108-M166 HydrophobicContact CG2-SD 3.93Å; V108-V171 HydrophobicContact CB-CG1 4.49Å; V108-V171 HydrophobicContact CG2-CG1 3.67Å; V108-R172 PolarHBondContact N-O 3.46Å; V108-V173 CarbonylContact O-C 3.36Å; V108-V173 WeakPolarHBondContact O-CA 3.41Å; V108-V174 PolarHBondContact O-N 3.18Å |
| 109 | V | 97.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 130.3 | -179.2 | -166.5 | 0 | 0 | 0 | 0 | 109.6 | L60 I61 A63 V174 T176 V184 L187 | L60-V109 HydrophobicContact CD1-CG2 3.4Å; L60-V109 VanDerWaalsContact CD1-CG2 3.4Å; L60-V109 HydrophobicContact CD2-CG2 4.21Å; L60-V109 HydrophobicContact CG-CG2 3.82Å; I61-V109 PolarHBondContact O-N 3.32Å; A63-V109 VanDerWaalsContact CB-O 3.24Å; A63-V109 WeakPolarHBondContact CB-O 3.42Å; A63-V109 PolarHBondContact N-O 3.33Å; V109-V174 CarbonylContact C-O 3.54Å; V109-V174 WeakPolarHBondContact CA-O 3.47Å; V109-V174 HydrophobicContact CG1-CB 4.29Å; V109-V174 HydrophobicContact CG1-CG1 4.28Å; V109-V174 HydrophobicContact CG2-CB 4.3Å; V109-T176 HydrophobicContact CG1-CG2 3.72Å; V109-V184 HydrophobicContact CB-CG2 4.15Å; V109-V184 HydrophobicContact CG1-CG2 3.81Å; V109-V184 HydrophobicContact CG2-CG2 4.43Å; V109-L187 HydrophobicContact CG1-CD1 4.27Å; V109-L187 HydrophobicContact CG2-CD1 4.11Å |
| 110 | F | 97.1 | Very high | 90.2 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 148.9 | 174.3 | -68.1 | -96.2 | 0 | 0 | 0 | 111 | A63 V108 G112 S159 V162 R163 V173 V174 Q175 T176 | A63-F110 HydrophobicContact CB-CD1 3.44Å; A63-F110 VanDerWaalsContact CB-CD1 3.44Å; A63-F110 HydrophobicContact CB-CD2 4.17Å; A63-F110 HydrophobicContact CB-CE1 3.4Å; A63-F110 HydrophobicContact CB-CE2 4.13Å; A63-F110 HydrophobicContact CB-CG 3.85Å; A63-F110 HydrophobicContact CB-CZ 3.75Å; V108-F110 HydrophobicContact CB-CE2 4.31Å; V108-F110 HydrophobicContact CG1-CD2 4.21Å; V108-F110 HydrophobicContact CG1-CE2 3.53Å; V108-F110 HydrophobicContact CG1-CZ 3.89Å; F110-G112 PolarHBondContact O-N 3.49Å; F110-G112 VanDerWaalsContact O-N 3.15Å; F110-S159 WeakPolarHBondContact CD1-OG 3.41Å; F110-S159 WeakPolarHBondContact CE1-O 3.41Å; F110-V162 HydrophobicContact CE1-CG1 4.42Å; F110-V162 HydrophobicContact CZ-CB 4.48Å; F110-V162 HydrophobicContact CZ-CG1 4.11Å; F110-R163 HydrophobicContact CD1-CB 4.49Å; F110-R163 HydrophobicContact CD2-CB 4.33Å; F110-R163 HydrophobicContact CD2-CG 4.19Å; F110-R163 HydrophobicContact CE1-CB 3.93Å; F110-R163 HydrophobicContact CE2-CB 3.76Å; F110-R163 HydrophobicContact CE2-CG 3.87Å; F110-R163 VanDerWaalsContact CZ-CA 3.46Å; F110-R163 HydrophobicContact CZ-CB 3.54Å; F110-R163 HydrophobicContact CZ-CG 4.2Å; F110-V173 HydrophobicContact CD2-CG1 3.99Å; F110-V173 HydrophobicContact CE2-CG1 4.14Å; F110-V173 HydrophobicContact CE2-CG2 4.47Å; F110-V174 PolarHBondContact N-O 3.18Å; F110-Q175 HydrophobicContact CB-CG 4.21Å; F110-Q175 WeakPolarHBondContact O-CA 3.12Å; F110-T176 PolarHBondContact O-N 3.05Å; F110-T176 VanDerWaalsContact O-N 3.1Å; F110-T176 PolarHBondContact O-OG1 2.79Å |
| 111 | N | 95 | Very high | 90.1 | Very high | 53 Ų | 53 | 30.1 Ų | 30.1 | 28% | 0.283 | 16% | 0.162 | S | C | . | . | trans | -76.8 | 102.2 | 173.5 | -168.3 | -11.5 | 0 | 0 | 0 | 110.7 | D64 T113 H180 | D64-N111 HydrophobicContact CB-CB 4.27Å; D64-N111 VanDerWaalsContact CG-CB 3.46Å; D64-N111 PolarHBondContact OD1-N 2.72Å; D64-N111 WeakPolarHBondContact OD2-CB 3.5Å; N111-T113 WeakPolarHBondContact OD1-CB 3.24Å; N111-T113 WeakPolarHBondContact OD1-CG2 3.4Å; N111-T113 PolarHBondContact OD1-N 3.35Å; N111-T113 PolarHBondContact OD1-OG1 2.95Å; N111-H180 WeakPolarHBondContact CA-ND1 3.49Å; N111-H180 HydrophobicContact CB-CB 4.44Å | ||
| 112 | G | 93.2 | Very high | 90.3 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 6% | 0.062 | 15% | 0.151 | C | C | . | . | trans | -91.1 | 4.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | F110 T176 H543 H554 | F110-G112 PolarHBondContact O-N 3.49Å; F110-G112 VanDerWaalsContact O-N 3.15Å; G112-T176 CarbonylContact C-O 3.6Å; G112-T176 WeakPolarHBondContact CA-O 3.38Å; G112-T176 PolarHBondContact N-O 3.5Å; G112-T176 PolarHBondContact N-OG1 2.85Å; G112-H543 PolarHBondContact O-CE1 3.42Å; G112-H543 VanDerWaalsContact O-CE1 3.28Å; G112-H554 PolarHBondContact O-CD2 3.44Å | ||
| 113 | T | 91.6 | Very high | 90.6 | Very high | 14 Ų | 14 | 28.3 Ų | 28.3 | 9% | 0.086 | 15% | 0.153 | C | C | . | . | trans | -93.5 | 148.1 | -161.3 | 75 | 0 | 0 | 0 | 0 | 114.3 | N111 G115 T176 E178 H180 K562 | N111-T113 WeakPolarHBondContact OD1-CB 3.24Å; N111-T113 WeakPolarHBondContact OD1-CG2 3.4Å; N111-T113 PolarHBondContact OD1-N 3.35Å; N111-T113 PolarHBondContact OD1-OG1 2.95Å; T113-G115 VanDerWaalsContact C-N 3.33Å; T113-T176 WeakPolarHBondContact CG2-OG1 3.39Å; T113-E178 WeakPolarHBondContact CB-O 3.45Å; T113-E178 WeakPolarHBondContact CG2-O 3.33Å; T113-H180 HydrophobicContact CG2-CB 4.1Å; T113-K562 PolarHBondContact O-NZ 3.2Å | ||
| 114 | L | 88.2 | Confident | 90.6 | Very high | 5 Ų | 5 | 31.5 Ų | 31.5 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | trans | -70.4 | -30.5 | 161.3 | -69.4 | -170.8 | 0 | 0 | 0 | 112.3 | K116 W119 H554 K558 E560 K562 | L114-K116 PolarHBondContact O-N 3.31Å; L114-W119 PolarHBondContact O-NE1 2.97Å; L114-H554 HydrophobicContact CD1-CB 4.03Å; L114-H554 HydrophobicContact CD2-CB 4Å; L114-H554 HydrophobicContact CG-CB 3.78Å; L114-K558 HydrophobicContact CD1-CB 4.09Å; L114-K558 HydrophobicContact CD1-CD 3.66Å; L114-K558 HydrophobicContact CD1-CG 4.49Å; L114-E560 HydrophobicContact CD1-CB 3.86Å; L114-E560 HydrophobicContact CD1-CG 4.38Å; L114-K562 VanDerWaalsContact O-CE 3.22Å; L114-K562 WeakPolarHBondContact O-CE 3.45Å; L114-K562 PolarHBondContact O-NZ 3.08Å | ||
| 115 | G | 85.9 | Confident | 90.5 | Very high | 13 Ų | 13 | 36.2 Ų | 36.2 | 13% | 0.134 | 17% | 0.172 | C | C | . | . | trans | 45.5 | 58.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T113 E117 R118 W119 | T113-G115 VanDerWaalsContact C-N 3.33Å; G115-E117 PolarHBondContact O-N 3.03Å; G115-R118 CarbonylContact O-C 3.53Å; G115-R118 WeakPolarHBondContact O-CA 3.37Å; G115-R118 PolarHBondContact O-N 3.04Å; G115-W119 VanDerWaalsContact O-CD1 3.27Å | ||
| 116 | K | 84.7 | Confident | 90.5 | Very high | 93 Ų | 93 | 34.5 Ų | 34.5 | 40% | 0.404 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -56.3 | -37.4 | -170.9 | -74.5 | -153.8 | 168.3 | -165.7 | 0 | 113.5 | L114 R118 W119 E560 | L114-K116 PolarHBondContact O-N 3.31Å; K116-R118 VanDerWaalsContact C-N 3.25Å; K116-R118 PolarHBondContact O-N 3.24Å; K116-W119 HydrophobicContact CD-CH2 4.15Å; K116-W119 HydrophobicContact CD-CZ2 4.06Å; K116-W119 HydrophobicContact CG-CH2 4.3Å; K116-W119 HydrophobicContact CG-CZ2 3.73Å; K116-W119 WeakPolarHBondContact O-CB 3.15Å; K116-W119 PolarHBondContact O-N 3.01Å; K116-E560 WeakPolarHBondContact CE-OE1 3.47Å; K116-E560 WeakPolarHBondContact CE-OE2 3.34Å; K116-E560 VanDerWaalsContact NZ-CD 3.33Å; K116-E560 IonicContact NZ-OE1 3.87Å; K116-E560 PolarHBondContact NZ-OE1 3.37Å; K116-E560 IonicContact NZ-OE2 2.72Å; K116-E560 PolarHBondContact NZ-OE2 3.32Å |
| 117 | E | 85.6 | Confident | 90.4 | Very high | 158 Ų | 158 | 38.8 Ų | 38.8 | 74% | 0.738 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -65 | -30.4 | 177.9 | -57.1 | -177.2 | 165.8 | 0 | 0 | 112 | G115 W119 | G115-E117 PolarHBondContact O-N 3.03Å; E117-W119 PolarHBondContact O-N 3.41Å |
| 118 | R | 88.6 | Confident | 90.2 | Very high | 20 Ų | 20 | 40 Ų | 40 | 8% | 0.075 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -89.1 | 13.1 | 176.9 | -55.7 | -171.2 | -176.1 | -113.7 | 5.9 | 113.9 | G115 K116 E121 W122 D179 H181 E202 H257 Y341 | G115-R118 CarbonylContact O-C 3.53Å; G115-R118 WeakPolarHBondContact O-CA 3.37Å; G115-R118 PolarHBondContact O-N 3.04Å; K116-R118 VanDerWaalsContact C-N 3.25Å; K116-R118 PolarHBondContact O-N 3.24Å; R118-E121 IonicContact NH1-OE2 3.39Å; R118-E121 WeakPolarHBondContact O-CB 3.49Å; R118-E121 PolarHBondContact O-N 3.35Å; R118-W122 PolarHBondContact O-N 3.47Å; R118-D179 IonicContact CZ-OD2 3.69Å; R118-D179 IonicContact NE-OD2 2.74Å; R118-D179 PolarHBondContact NE-OD2 3.03Å; R118-D179 IonicContact NH2-OD1 2.68Å; R118-D179 PolarHBondContact NH2-OD1 2.87Å; R118-D179 IonicContact NH2-OD2 3.82Å; R118-D179 PolarHBondContact NH2-OD2 3.21Å; R118-D179 VanDerWaalsContact NH2-OD2 3.09Å; R118-H181 PolarHBondContact NH2-ND1 3.33Å; R118-E202 IonicContact CZ-OE1 3.24Å; R118-E202 IonicContact CZ-OE2 3.21Å; R118-E202 IonicContact NH1-OE1 3.81Å; R118-E202 PolarHBondContact NH1-OE1 3.24Å; R118-E202 IonicContact NH1-OE2 2.78Å; R118-E202 PolarHBondContact NH1-OE2 3.48Å; R118-E202 IonicContact NH2-OE1 2.71Å; R118-E202 PolarHBondContact NH2-OE1 3.28Å; R118-E202 IonicContact NH2-OE2 3.32Å; R118-H257 HydrophobicContact CG-CB 4.01Å; R118-H257 PolarHBondContact NH1-ND1 2.93Å; R118-H257 PolarHBondContact NH2-CE1 2.78Å; R118-Y341 PolarHBondContact NH2-OH 2.88Å |
| 119 | W | 87.3 | Confident | 90 | Very high | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.4 | -38.5 | -179.2 | -82.6 | 14.6 | 0 | 0 | 0 | 115.7 | L114 G115 K116 E117 E121 W122 A123 M521 E560 W624 L633 | L114-W119 PolarHBondContact O-NE1 2.97Å; G115-W119 VanDerWaalsContact O-CD1 3.27Å; K116-W119 HydrophobicContact CD-CH2 4.15Å; K116-W119 HydrophobicContact CD-CZ2 4.06Å; K116-W119 HydrophobicContact CG-CH2 4.3Å; K116-W119 HydrophobicContact CG-CZ2 3.73Å; K116-W119 WeakPolarHBondContact O-CB 3.15Å; K116-W119 PolarHBondContact O-N 3.01Å; E117-W119 PolarHBondContact O-N 3.41Å; W119-E121 PolarHBondContact O-N 3.04Å; W119-W122 PolarHBondContact O-N 2.96Å; W119-A123 VanDerWaalsContact O-CB 3.32Å; W119-A123 WeakPolarHBondContact O-CB 3.34Å; W119-A123 PolarHBondContact O-N 2.74Å; W119-M521 HydrophobicContact CD2-CE 4.34Å; W119-M521 HydrophobicContact CE3-CE 3.56Å; W119-M521 HydrophobicContact CE3-CG 3.84Å; W119-M521 HydrophobicContact CE3-SD 3.98Å; W119-M521 HydrophobicContact CZ3-CB 4.17Å; W119-M521 HydrophobicContact CZ3-CE 3.93Å; W119-M521 HydrophobicContact CZ3-CG 3.89Å; W119-M521 HydrophobicContact CZ3-SD 4.5Å; W119-E560 VanDerWaalsContact CH2-OE2 3.3Å; W119-E560 WeakPolarHBondContact CH2-OE2 3.44Å; W119-E560 VanDerWaalsContact CZ2-OE2 3.27Å; W119-E560 WeakPolarHBondContact CZ2-OE2 3.31Å; W119-W624 HydrophobicContact CE3-CE3 4.45Å; W119-W624 HydrophobicContact CE3-CH2 4.19Å; W119-W624 HydrophobicContact CE3-CZ2 4.4Å; W119-W624 HydrophobicContact CE3-CZ3 4.18Å; W119-W624 HydrophobicContact CH2-CD2 4.06Å; W119-W624 AromaticContact CH2-CE2 3.28Å; W119-W624 HydrophobicContact CH2-CE3 4.48Å; W119-W624 AromaticContact CH2-CH2 3.65Å; W119-W624 HydrophobicContact CH2-CH2 3.65Å; W119-W624 AromaticContact CH2-CZ2 3.09Å; W119-W624 HydrophobicContact CH2-CZ2 3.09Å; W119-W624 HydrophobicContact CH2-CZ3 4.28Å; W119-W624 AromaticContact CH2-NE1 3.6Å; W119-W624 HydrophobicContact CZ2-CD2 4.4Å; W119-W624 AromaticContact CZ2-CE2 3.83Å; W119-W624 HydrophobicContact CZ2-CZ2 4.1Å; W119-W624 AromaticContact CZ2-NE1 3.74Å; W119-W624 HydrophobicContact CZ3-CD2 4.19Å; W119-W624 AromaticContact CZ3-CE2 3.71Å; W119-W624 HydrophobicContact CZ3-CE3 4.14Å; W119-W624 AromaticContact CZ3-CH2 3.26Å; W119-W624 HydrophobicContact CZ3-CH2 3.26Å; W119-W624 AromaticContact CZ3-CZ2 3.28Å; W119-W624 HydrophobicContact CZ3-CZ2 3.28Å; W119-W624 AromaticContact CZ3-CZ3 3.68Å; W119-W624 HydrophobicContact CZ3-CZ3 3.68Å; W119-L633 HydrophobicContact CB-CD2 4.04Å |
| 120 | P | 86.7 | Confident | 89.7 | Confident | 64 Ų | 64 | 46.2 Ų | 46.2 | 42% | 0.416 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.5 | -33.3 | 172.9 | -24.7 | 35.6 | 0 | 0 | 0 | 112.8 | R124 | P120-R124 WeakPolarHBondContact O-CB 3.43Å; P120-R124 VanDerWaalsContact O-CG 3.32Å; P120-R124 WeakPolarHBondContact O-CG 3.49Å; P120-R124 PolarHBondContact O-N 2.74Å; P120-R124 VanDerWaalsContact O-N 3.1Å; P120-R124 PolarHBondContact O-NE 3.43Å |
| 121 | E | 86.3 | Confident | 89.5 | Confident | 31 Ų | 31 | 51.9 Ų | 51.9 | 15% | 0.145 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -70.7 | -45.4 | 174.8 | -168.1 | -145 | 106.5 | 0 | 0 | 111.4 | R118 W119 R124 R125 | R118-E121 IonicContact NH1-OE2 3.39Å; R118-E121 WeakPolarHBondContact O-CB 3.49Å; R118-E121 PolarHBondContact O-N 3.35Å; W119-E121 PolarHBondContact O-N 3.04Å; E121-R124 PolarHBondContact O-N 3.17Å; E121-R125 WeakPolarHBondContact O-CB 3.37Å; E121-R125 PolarHBondContact O-N 3.31Å; E121-R125 IonicContact OE1-CZ 2.85Å; E121-R125 IonicContact OE1-NH1 3.09Å; E121-R125 PolarHBondContact OE1-NH1 2.84Å; E121-R125 IonicContact OE1-NH2 2.73Å; E121-R125 PolarHBondContact OE1-NH2 3.31Å |
| 122 | W | 89.5 | Confident | 89.5 | Confident | 36 Ų | 36 | 51.1 Ų | 51.1 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.3 | -42.5 | 173.2 | 172.4 | 79.2 | 0 | 0 | 0 | 112.5 | R118 W119 R125 A126 K562 W624 A632 | R118-W122 PolarHBondContact O-N 3.47Å; W119-W122 PolarHBondContact O-N 2.96Å; W122-R125 PolarHBondContact O-N 2.73Å; W122-A126 WeakPolarHBondContact O-CB 3.46Å; W122-A126 PolarHBondContact O-N 3.39Å; W122-K562 HydrophobicContact CD2-CD 4.4Å; W122-K562 HydrophobicContact CZ2-CB 4.23Å; W122-K562 HydrophobicContact CZ2-CG 4.22Å; W122-W624 HydrophobicContact CH2-CB 3.69Å; W122-W624 HydrophobicContact CZ2-CB 4.45Å; W122-W624 HydrophobicContact CZ3-CB 4.08Å; W122-A632 HydrophobicContact CH2-CB 4.39Å; W122-A632 HydrophobicContact CZ3-CB 4.03Å; W122-A632 WeakPolarHBondContact CZ3-O 3.18Å |
| 123 | A | 88.9 | Confident | 89.6 | Confident | 11 Ų | 11 | 51 Ų | 51 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.8 | -46.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W119 R125 A126 Q127 A632 L633 | W119-A123 VanDerWaalsContact O-CB 3.32Å; W119-A123 WeakPolarHBondContact O-CB 3.34Å; W119-A123 PolarHBondContact O-N 2.74Å; A123-R125 PolarHBondContact O-N 2.92Å; A123-A126 PolarHBondContact O-N 2.74Å; A123-Q127 WeakPolarHBondContact O-CB 3.29Å; A123-Q127 PolarHBondContact O-N 3.35Å; A123-A632 HydrophobicContact CB-CB 3.9Å; A123-L633 HydrophobicContact CB-CD2 3.81Å; A123-L633 HydrophobicContact CB-CG 3.93Å |
| 124 | R | 87.7 | Confident | 89.7 | Confident | 102 Ų | 102 | 52.3 Ų | 52.3 | 39% | 0.385 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 173.7 | -73.1 | -175.1 | -66.5 | -171.6 | 6.9 | 111.5 | P120 E121 Q127 G128 E262 | P120-R124 WeakPolarHBondContact O-CB 3.43Å; P120-R124 VanDerWaalsContact O-CG 3.32Å; P120-R124 WeakPolarHBondContact O-CG 3.49Å; P120-R124 PolarHBondContact O-N 2.74Å; P120-R124 VanDerWaalsContact O-N 3.1Å; P120-R124 PolarHBondContact O-NE 3.43Å; E121-R124 PolarHBondContact O-N 3.17Å; R124-Q127 PolarHBondContact O-N 3.03Å; R124-G128 PolarHBondContact O-N 3.29Å; R124-E262 IonicContact CZ-OE1 3.74Å; R124-E262 IonicContact CZ-OE2 3.49Å; R124-E262 IonicContact NH1-OE1 2.7Å; R124-E262 PolarHBondContact NH1-OE1 2.95Å; R124-E262 IonicContact NH1-OE2 2.8Å; R124-E262 PolarHBondContact NH1-OE2 2.98Å |
| 125 | R | 88.8 | Confident | 90 | Very high | 103 Ų | 103 | 55.9 Ų | 55.9 | 39% | 0.389 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 176 | -176.2 | -173.6 | -76.4 | 99.4 | -11.9 | 112.2 | E121 W122 A123 G128 Q129 | E121-R125 WeakPolarHBondContact O-CB 3.37Å; E121-R125 PolarHBondContact O-N 3.31Å; E121-R125 IonicContact OE1-CZ 2.85Å; E121-R125 IonicContact OE1-NH1 3.09Å; E121-R125 PolarHBondContact OE1-NH1 2.84Å; E121-R125 IonicContact OE1-NH2 2.73Å; E121-R125 PolarHBondContact OE1-NH2 3.31Å; W122-R125 PolarHBondContact O-N 2.73Å; A123-R125 PolarHBondContact O-N 2.92Å; R125-G128 PolarHBondContact O-N 2.81Å; R125-Q129 WeakPolarHBondContact O-CG 3.14Å; R125-Q129 PolarHBondContact O-N 3.49Å |
| 126 | A | 91.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 2% | 0.017 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | W122 A123 Q129 R130 V565 | W122-A126 WeakPolarHBondContact O-CB 3.46Å; W122-A126 PolarHBondContact O-N 3.39Å; A123-A126 PolarHBondContact O-N 2.74Å; A126-Q129 PolarHBondContact O-N 2.89Å; A126-R130 WeakPolarHBondContact O-CB 3.45Å; A126-R130 PolarHBondContact O-N 3.3Å; A126-V565 HydrophobicContact CB-CG2 4.1Å |
| 127 | Q | 90.4 | Very high | 91 | Very high | 100 Ų | 100 | 51.5 Ų | 51.5 | 47% | 0.467 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.4 | -42.3 | 174 | -176 | 176.5 | -2.6 | 0 | 0 | 112 | A123 R124 R130 Q131 | A123-Q127 WeakPolarHBondContact O-CB 3.29Å; A123-Q127 PolarHBondContact O-N 3.35Å; R124-Q127 PolarHBondContact O-N 3.03Å; Q127-R130 PolarHBondContact O-N 2.93Å; Q127-Q131 WeakPolarHBondContact O-CG 3.37Å; Q127-Q131 PolarHBondContact O-N 3.01Å |
| 128 | G | 91.8 | Very high | 91.5 | Very high | 27 Ų | 27 | 48 Ų | 48 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.2 | -43.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R124 R125 R130 Q131 T132 | R124-G128 PolarHBondContact O-N 3.29Å; R125-G128 PolarHBondContact O-N 2.81Å; G128-R130 VanDerWaalsContact C-N 3.31Å; G128-R130 PolarHBondContact O-N 3.21Å; G128-Q131 PolarHBondContact O-N 2.91Å; G128-T132 PolarHBondContact O-N 3.45Å; G128-T132 PolarHBondContact O-OG1 3.5Å |
| 129 | Q | 93.4 | Very high | 91.8 | Very high | 63 Ų | 63 | 49.9 Ų | 49.9 | 29% | 0.294 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59 | -40.7 | 173.8 | -77.3 | 175 | -27.6 | 0 | 0 | 112.3 | R125 A126 T132 A133 L153 V565 | R125-Q129 WeakPolarHBondContact O-CG 3.14Å; R125-Q129 PolarHBondContact O-N 3.49Å; A126-Q129 PolarHBondContact O-N 2.89Å; Q129-T132 WeakPolarHBondContact O-CB 3.42Å; Q129-T132 PolarHBondContact O-N 2.89Å; Q129-A133 PolarHBondContact O-N 3.35Å; Q129-L153 HydrophobicContact CB-CD1 3.69Å; Q129-L153 HydrophobicContact CG-CD1 3.83Å; Q129-V565 HydrophobicContact CB-CB 4.04Å; Q129-V565 HydrophobicContact CB-CG1 4.04Å; Q129-V565 HydrophobicContact CB-CG2 4.12Å |
| 130 | R | 92.2 | Very high | 92.2 | Very high | 66 Ų | 66 | 50 Ų | 50 | 25% | 0.249 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.9 | -39 | 176.6 | 178.1 | -177 | 151.6 | -124.2 | -22 | 112.4 | A126 Q127 G128 T132 A133 Q134 V565 E570 | A126-R130 WeakPolarHBondContact O-CB 3.45Å; A126-R130 PolarHBondContact O-N 3.3Å; Q127-R130 PolarHBondContact O-N 2.93Å; G128-R130 VanDerWaalsContact C-N 3.31Å; G128-R130 PolarHBondContact O-N 3.21Å; R130-T132 VanDerWaalsContact C-N 3.33Å; R130-A133 WeakPolarHBondContact O-CB 3.16Å; R130-A133 PolarHBondContact O-N 3.34Å; R130-Q134 PolarHBondContact O-N 2.94Å; R130-V565 HydrophobicContact CB-CG1 4.17Å; R130-E570 IonicContact CZ-OE1 3.18Å; R130-E570 IonicContact CZ-OE2 2.69Å; R130-E570 IonicContact NE-OE1 2.73Å; R130-E570 PolarHBondContact NE-OE1 3.36Å; R130-E570 IonicContact NE-OE2 3.32Å; R130-E570 PolarHBondContact NE-OE2 3.17Å; R130-E570 IonicContact NH2-OE1 2.7Å; R130-E570 IonicContact NH2-OE2 3.29Å; R130-E570 PolarHBondContact NH2-OE2 3.26Å |
| 131 | Q | 92.6 | Very high | 92.6 | Very high | 122 Ų | 122 | 49.7 Ų | 49.7 | 57% | 0.57 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61.7 | -42.6 | 171.1 | -72.7 | 172.5 | -7.3 | 0 | 0 | 111.3 | Q127 G128 Q134 L135 | Q127-Q131 WeakPolarHBondContact O-CG 3.37Å; Q127-Q131 PolarHBondContact O-N 3.01Å; G128-Q131 PolarHBondContact O-N 2.91Å; Q131-Q134 PolarHBondContact O-N 2.94Å; Q131-L135 PolarHBondContact O-N 2.94Å; Q131-L135 VanDerWaalsContact O-N 3.11Å |
| 132 | T | 94.9 | Very high | 93 | Very high | 37 Ų | 37 | 52 Ų | 52 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 173.5 | -52.5 | 0 | 0 | 0 | 0 | 111.3 | G128 Q129 R130 Q134 L135 I136 W151 | G128-T132 PolarHBondContact O-N 3.45Å; G128-T132 PolarHBondContact O-OG1 3.5Å; Q129-T132 WeakPolarHBondContact O-CB 3.42Å; Q129-T132 PolarHBondContact O-N 2.89Å; R130-T132 VanDerWaalsContact C-N 3.33Å; T132-Q134 VanDerWaalsContact C-N 3.34Å; T132-Q134 PolarHBondContact O-N 3.33Å; T132-L135 WeakPolarHBondContact O-CB 3.36Å; T132-L135 PolarHBondContact O-N 2.89Å; T132-I136 HydrophobicContact CG2-CD1 3.87Å; T132-I136 HydrophobicContact CG2-CG1 4.39Å; T132-I136 VanDerWaalsContact O-CD1 3.29Å; T132-I136 WeakPolarHBondContact O-CD1 3.45Å; T132-I136 VanDerWaalsContact O-CG1 3.22Å; T132-I136 WeakPolarHBondContact O-CG1 3.48Å; T132-I136 PolarHBondContact O-N 2.99Å; T132-W151 HydrophobicContact CG2-CB 3.73Å; T132-W151 HydrophobicContact CG2-CG 4.36Å |
| 133 | A | 94.8 | Very high | 93.3 | Very high | 4 Ų | 4 | 56.5 Ų | 56.5 | 3% | 0.033 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -54 | -46 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q129 R130 L135 I136 V137 L153 | Q129-A133 PolarHBondContact O-N 3.35Å; R130-A133 WeakPolarHBondContact O-CB 3.16Å; R130-A133 PolarHBondContact O-N 3.34Å; A133-L135 PolarHBondContact O-N 3.46Å; A133-I136 WeakPolarHBondContact O-CB 3.27Å; A133-I136 PolarHBondContact O-N 3.3Å; A133-V137 WeakPolarHBondContact O-CG2 3.21Å; A133-V137 PolarHBondContact O-N 3.3Å; A133-L153 HydrophobicContact CB-CD2 4.02Å |
| 134 | Q | 93.8 | Very high | 93.6 | Very high | 40 Ų | 40 | 57.6 Ų | 57.6 | 19% | 0.187 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.1 | -34.6 | 176.5 | -163 | 73.3 | 60.8 | 0 | 0 | 112.6 | R130 Q131 T132 I136 N138 D569 | R130-Q134 PolarHBondContact O-N 2.94Å; Q131-Q134 PolarHBondContact O-N 2.94Å; T132-Q134 VanDerWaalsContact C-N 3.34Å; T132-Q134 PolarHBondContact O-N 3.33Å; Q134-I136 VanDerWaalsContact C-N 3.33Å; Q134-N138 PolarHBondContact NE2-OD1 3.46Å; Q134-N138 VanDerWaalsContact O-CB 3.22Å; Q134-N138 WeakPolarHBondContact O-CB 3.24Å; Q134-N138 PolarHBondContact O-N 3.02Å; Q134-N138 PolarHBondContact O-ND2 3.05Å; Q134-N138 PolarHBondContact O-OD1 3.3Å; Q134-D569 PolarHBondContact NE2-OD1 3.34Å |
| 135 | L | 95.5 | Very high | 93.8 | Very high | 81 Ų | 81 | 55.5 Ų | 55.5 | 42% | 0.424 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 172.5 | -68.9 | 175.2 | 0 | 0 | 0 | 111.9 | Q131 T132 A133 H139 W151 | Q131-L135 PolarHBondContact O-N 2.94Å; Q131-L135 VanDerWaalsContact O-N 3.11Å; T132-L135 WeakPolarHBondContact O-CB 3.36Å; T132-L135 PolarHBondContact O-N 2.89Å; A133-L135 PolarHBondContact O-N 3.46Å; L135-H139 VanDerWaalsContact O-CB 3.26Å; L135-H139 WeakPolarHBondContact O-CB 3.27Å; L135-H139 PolarHBondContact O-N 3.41Å; L135-W151 HydrophobicContact CB-CD2 4.34Å; L135-W151 HydrophobicContact CB-CE3 3.97Å; L135-W151 HydrophobicContact CB-CH2 4.26Å; L135-W151 HydrophobicContact CB-CZ3 3.92Å; L135-W151 HydrophobicContact CD1-CZ2 4.43Å |
| 136 | I | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.8 | -53.7 | 175.9 | -64.5 | 152.8 | 0 | 0 | 0 | 110.3 | W78 V79 T132 A133 Q134 N138 H139 V140 P147 W151 L153 I567 | W78-I136 HydrophobicContact CH2-CD1 3.42Å; W78-I136 VanDerWaalsContact CH2-CD1 3.42Å; W78-I136 HydrophobicContact CH2-CG1 3.79Å; W78-I136 HydrophobicContact CH2-CG2 4.03Å; W78-I136 HydrophobicContact CZ2-CD1 4.37Å; W78-I136 HydrophobicContact CZ3-CD1 4.1Å; V79-I136 HydrophobicContact CG2-CG2 3.53Å; T132-I136 HydrophobicContact CG2-CD1 3.87Å; T132-I136 HydrophobicContact CG2-CG1 4.39Å; T132-I136 VanDerWaalsContact O-CD1 3.29Å; T132-I136 WeakPolarHBondContact O-CD1 3.45Å; T132-I136 VanDerWaalsContact O-CG1 3.22Å; T132-I136 WeakPolarHBondContact O-CG1 3.48Å; T132-I136 PolarHBondContact O-N 2.99Å; A133-I136 WeakPolarHBondContact O-CB 3.27Å; A133-I136 PolarHBondContact O-N 3.3Å; Q134-I136 VanDerWaalsContact C-N 3.33Å; I136-N138 PolarHBondContact O-N 2.79Å; I136-H139 PolarHBondContact O-N 2.96Å; I136-V140 WeakPolarHBondContact O-CG2 3.38Å; I136-V140 PolarHBondContact O-N 3.48Å; I136-P147 HydrophobicContact CG1-CB 4.48Å; I136-P147 HydrophobicContact CG2-CG 4.24Å; I136-W151 HydrophobicContact CG1-CB 4.32Å; I136-L153 HydrophobicContact CD1-CB 3.89Å; I136-L153 HydrophobicContact CD1-CD2 4.44Å; I136-I567 HydrophobicContact CB-CG2 4.49Å; I136-I567 HydrophobicContact CG2-CG2 3.89Å |
| 137 | V | 95.1 | Very high | 94 | Very high | 13 Ų | 13 | 54.2 Ų | 54.2 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -54.7 | -51.3 | 177.2 | 164.7 | 0 | 0 | 0 | 0 | 111 | A133 H139 V140 G141 I567 D569 | A133-V137 WeakPolarHBondContact O-CG2 3.21Å; A133-V137 PolarHBondContact O-N 3.3Å; V137-H139 VanDerWaalsContact C-N 3.29Å; V137-H139 PolarHBondContact O-N 3.15Å; V137-V140 PolarHBondContact O-N 3.12Å; V137-G141 PolarHBondContact O-N 2.73Å; V137-I567 HydrophobicContact CG2-CG2 4.08Å; V137-D569 HydrophobicContact CG1-CB 3.65Å; V137-D569 HydrophobicContact CG2-CB 4.27Å |
| 138 | N | 95.1 | Very high | 94.1 | Very high | 86 Ų | 86 | 51.9 Ų | 51.9 | 46% | 0.46 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.1 | -34 | -178.9 | -67.3 | -2.4 | 0 | 0 | 0 | 112.1 | Q134 I136 S142 | Q134-N138 PolarHBondContact NE2-OD1 3.46Å; Q134-N138 VanDerWaalsContact O-CB 3.22Å; Q134-N138 WeakPolarHBondContact O-CB 3.24Å; Q134-N138 PolarHBondContact O-N 3.02Å; Q134-N138 PolarHBondContact O-ND2 3.05Å; Q134-N138 PolarHBondContact O-OD1 3.3Å; I136-N138 PolarHBondContact O-N 2.79Å; N138-S142 VanDerWaalsContact O-CB 3.26Å; N138-S142 WeakPolarHBondContact O-CB 3.47Å; N138-S142 PolarHBondContact O-N 3.25Å; N138-S142 PolarHBondContact O-OG 3.31Å |
| 139 | H | 96.2 | Very high | 94 | Very high | 58 Ų | 58 | 56.8 Ų | 56.8 | 27% | 0.269 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.1 | -53.1 | 175 | 178.9 | 98.8 | 0 | 0 | 0 | 111.6 | L135 I136 V137 G141 S142 K143 T145 W151 | L135-H139 VanDerWaalsContact O-CB 3.26Å; L135-H139 WeakPolarHBondContact O-CB 3.27Å; L135-H139 PolarHBondContact O-N 3.41Å; I136-H139 PolarHBondContact O-N 2.96Å; V137-H139 VanDerWaalsContact C-N 3.29Å; V137-H139 PolarHBondContact O-N 3.15Å; H139-G141 VanDerWaalsContact C-N 3.34Å; H139-G141 PolarHBondContact O-N 2.98Å; H139-S142 PolarHBondContact O-N 2.92Å; H139-S142 PolarHBondContact O-OG 2.91Å; H139-K143 VanDerWaalsContact O-CB 3.28Å; H139-K143 WeakPolarHBondContact O-CB 3.36Å; H139-K143 WeakPolarHBondContact O-CG 3.31Å; H139-K143 PolarHBondContact O-N 3.38Å; H139-T145 PolarHBondContact CD2-O 2.99Å; H139-T145 VanDerWaalsContact CD2-O 3.31Å; H139-W151 HydrophobicContact CB-CZ3 3.94Å; H139-W151 AromaticContact CE1-CZ3 3.96Å |
| 140 | V | 95.6 | Very high | 93.7 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.9 | -45.2 | -179.8 | -180 | 0 | 0 | 0 | 0 | 110.2 | V79 I136 V137 S142 A144 V741 A743 V746 | V79-V140 HydrophobicContact CG2-CG2 4.1Å; I136-V140 WeakPolarHBondContact O-CG2 3.38Å; I136-V140 PolarHBondContact O-N 3.48Å; V137-V140 PolarHBondContact O-N 3.12Å; V140-S142 VanDerWaalsContact C-N 3.29Å; V140-S142 PolarHBondContact O-N 3.33Å; V140-A144 VanDerWaalsContact O-CA 3.28Å; V140-A144 WeakPolarHBondContact O-CA 3.43Å; V140-A144 PolarHBondContact O-N 3.1Å; V140-V741 HydrophobicContact CG1-CB 4.1Å; V140-V741 HydrophobicContact CG1-CG1 3.72Å; V140-V741 WeakPolarHBondContact CG1-O 3.44Å; V140-A743 HydrophobicContact CG1-CB 3.94Å; V140-V746 HydrophobicContact CG1-CG2 4.21Å |
| 141 | G | 94.5 | Very high | 93.8 | Very high | 59 Ų | 59 | 58.5 Ų | 58.5 | 61% | 0.608 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.3 | -24.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | V137 H139 | V137-G141 PolarHBondContact O-N 2.73Å; H139-G141 VanDerWaalsContact C-N 3.34Å; H139-G141 PolarHBondContact O-N 2.98Å |
| 142 | S | 95.3 | Very high | 93.8 | Very high | 80 Ų | 80 | 54.4 Ų | 54.4 | 56% | 0.559 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -107 | -10.7 | -179.2 | 68.3 | 0 | 0 | 0 | 0 | 115.3 | N138 H139 V140 | N138-S142 VanDerWaalsContact O-CB 3.26Å; N138-S142 WeakPolarHBondContact O-CB 3.47Å; N138-S142 PolarHBondContact O-N 3.25Å; N138-S142 PolarHBondContact O-OG 3.31Å; H139-S142 PolarHBondContact O-N 2.92Å; H139-S142 PolarHBondContact O-OG 2.91Å; V140-S142 VanDerWaalsContact C-N 3.29Å; V140-S142 PolarHBondContact O-N 3.33Å |
| 143 | K | 95.3 | Very high | 93.7 | Very high | 130 Ų | 130 | 52.9 Ų | 52.9 | 57% | 0.565 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -127.6 | -23.5 | -177.4 | -55.2 | -62.7 | 169.7 | -167.3 | 0 | 114.4 | H139 T145 | H139-K143 VanDerWaalsContact O-CB 3.28Å; H139-K143 WeakPolarHBondContact O-CB 3.36Å; H139-K143 WeakPolarHBondContact O-CG 3.31Å; H139-K143 PolarHBondContact O-N 3.38Å; K143-T145 VanDerWaalsContact CB-OG1 3.24Å; K143-T145 WeakPolarHBondContact CB-OG1 3.28Å; K143-T145 PolarHBondContact O-N 2.88Å |
| 144 | A | 94.8 | Very high | 93.6 | Very high | 33 Ų | 33 | 54.3 Ų | 54.3 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | trans | 53.3 | 32.2 | -171 | 0 | 0 | 0 | 0 | 0 | 113.9 | V140 K740 V741 | V140-A144 VanDerWaalsContact O-CA 3.28Å; V140-A144 WeakPolarHBondContact O-CA 3.43Å; V140-A144 PolarHBondContact O-N 3.1Å; A144-K740 HydrophobicContact CB-CB 4.11Å; A144-K740 HydrophobicContact CB-CG 4.4Å; A144-K740 CarbonylContact O-C 3.59Å; A144-K740 WeakPolarHBondContact O-CA 3.48Å; A144-V741 PolarHBondContact O-N 2.85Å | ||
| 145 | T | 93.5 | Very high | 93.6 | Very high | 59 Ų | 59 | 52.8 Ų | 52.8 | 36% | 0.362 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -123.4 | 159.2 | -179.4 | 49.1 | 0 | 0 | 0 | 0 | 111.8 | H139 K143 | H139-T145 PolarHBondContact CD2-O 2.99Å; H139-T145 VanDerWaalsContact CD2-O 3.31Å; K143-T145 VanDerWaalsContact CB-OG1 3.24Å; K143-T145 WeakPolarHBondContact CB-OG1 3.28Å; K143-T145 PolarHBondContact O-N 2.88Å |
| 146 | P | 91.1 | Very high | 93.5 | Very high | 66 Ų | 66 | 49.5 Ų | 49.5 | 43% | 0.429 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 139.8 | 170.8 | -23.9 | 34.6 | 0 | 0 | 0 | 112.2 | V741 | P146-V741 HydrophobicContact CG-CG2 4.08Š|
| 147 | P | 93 | Very high | 93.4 | Very high | 12 Ų | 12 | 49.9 Ų | 49.9 | 8% | 0.078 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 160.6 | -178.3 | 31.9 | -37.6 | 0 | 0 | 0 | 112.5 | W78 V79 I136 R149 W151 | W78-P147 HydrophobicContact CH2-CG 3.98Å; W78-P147 HydrophobicContact CZ2-CG 3.58Å; V79-P147 HydrophobicContact CB-CG 3.99Å; V79-P147 HydrophobicContact CG1-CG 4.45Å; V79-P147 HydrophobicContact CG2-CG 4Å; I136-P147 HydrophobicContact CG1-CB 4.48Å; I136-P147 HydrophobicContact CG2-CG 4.24Å; P147-R149 PolarHBondContact O-N 2.67Å; P147-W151 HydrophobicContact CB-CE3 4.2Å |
| 148 | P | 91.9 | Very high | 93.4 | Very high | 50 Ų | 50 | 49.3 Ų | 49.3 | 33% | 0.325 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 136.9 | 173 | -28.6 | 35.2 | 0 | 0 | 0 | 114.1 | A150 W151 | P148-A150 PolarHBondContact O-N 2.87Å; P148-W151 HydrophobicContact CB-CD2 4.24Å; P148-W151 HydrophobicContact CB-CG 4.41Å; P148-W151 HydrophobicContact CG-CD2 4.13Å; P148-W151 HydrophobicContact CG-CE3 4.14Å; P148-W151 HydrophobicContact CG-CH2 4.2Å; P148-W151 HydrophobicContact CG-CZ2 4.2Å; P148-W151 HydrophobicContact CG-CZ3 4.18Å; P148-W151 WeakPolarHBondContact O-CB 3.28Å; P148-W151 PolarHBondContact O-N 2.84Å |
| 149 | R | 88.4 | Confident | 93.4 | Very high | 130 Ų | 130 | 46.9 Ų | 46.9 | 49% | 0.491 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -55 | -25.3 | -179.2 | -59.5 | -175.1 | 151.3 | -145.3 | -19.3 | 114.6 | Q68 Y74 T76 P147 W151 | Q68-R149 PolarHBondContact NE2-O 3.49Å; Y74-R149 VanDerWaalsContact O-CZ 3.27Å; Y74-R149 PolarHBondContact O-NH1 3.46Å; Y74-R149 PolarHBondContact O-NH2 2.89Å; T76-R149 HydrophobicContact CG2-CB 4.12Å; T76-R149 HydrophobicContact CG2-CG 3.7Å; T76-R149 PolarHBondContact OG1-NE 2.83Å; T76-R149 PolarHBondContact OG1-NH2 2.88Å; P147-R149 PolarHBondContact O-N 2.67Å; R149-W151 VanDerWaalsContact C-N 3.3Å |
| 150 | A | 89.1 | Confident | 93.3 | Very high | 93 Ų | 93 | 44.7 Ų | 44.7 | 77% | 0.769 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -76 | -12.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P148 F152 | P148-A150 PolarHBondContact O-N 2.87Å; A150-F152 VanDerWaalsContact C-N 3.33Å |
| 151 | W | 93.1 | Very high | 93.3 | Very high | 73 Ų | 73 | 44.5 Ų | 44.5 | 28% | 0.277 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -98.8 | 31 | 176.6 | -57.5 | -10.4 | 0 | 0 | 0 | 111.6 | W78 T132 L135 I136 H139 P147 P148 R149 L153 | W78-W151 VanDerWaalsContact CZ2-O 3.28Å; W78-W151 WeakPolarHBondContact CZ2-O 3.25Å; T132-W151 HydrophobicContact CG2-CB 3.73Å; T132-W151 HydrophobicContact CG2-CG 4.36Å; L135-W151 HydrophobicContact CB-CD2 4.34Å; L135-W151 HydrophobicContact CB-CE3 3.97Å; L135-W151 HydrophobicContact CB-CH2 4.26Å; L135-W151 HydrophobicContact CB-CZ3 3.92Å; L135-W151 HydrophobicContact CD1-CZ2 4.43Å; I136-W151 HydrophobicContact CG1-CB 4.32Å; H139-W151 HydrophobicContact CB-CZ3 3.94Å; H139-W151 AromaticContact CE1-CZ3 3.96Å; P147-W151 HydrophobicContact CB-CE3 4.2Å; P148-W151 HydrophobicContact CB-CD2 4.24Å; P148-W151 HydrophobicContact CB-CG 4.41Å; P148-W151 HydrophobicContact CG-CD2 4.13Å; P148-W151 HydrophobicContact CG-CE3 4.14Å; P148-W151 HydrophobicContact CG-CH2 4.2Å; P148-W151 HydrophobicContact CG-CZ2 4.2Å; P148-W151 HydrophobicContact CG-CZ3 4.18Å; P148-W151 WeakPolarHBondContact O-CB 3.28Å; P148-W151 PolarHBondContact O-N 2.84Å; R149-W151 VanDerWaalsContact C-N 3.3Å; W151-L153 PolarHBondContact O-N 3.38Å |
| 152 | F | 92.6 | Very high | 93.4 | Very high | 36 Ų | 36 | 41.7 Ų | 41.7 | 16% | 0.158 | 24% | 0.24 | C | C | . | . | trans | -61.3 | 111.9 | 178.4 | 177.5 | -93.7 | 0 | 0 | 0 | 110.6 | Q68 Y71 W78 A150 P154 L158 | Q68-F152 HydrophobicContact CB-CD1 3.74Å; Q68-F152 HydrophobicContact CB-CE1 3.71Å; Q68-F152 HydrophobicContact CB-CG 4.24Å; Q68-F152 HydrophobicContact CB-CZ 4.18Å; Q68-F152 HydrophobicContact CG-CB 4.27Å; Q68-F152 HydrophobicContact CG-CD1 3.79Å; Q68-F152 HydrophobicContact CG-CD2 4Å; Q68-F152 HydrophobicContact CG-CE1 4.09Å; Q68-F152 HydrophobicContact CG-CE2 4.29Å; Q68-F152 HydrophobicContact CG-CG 3.74Å; Q68-F152 HydrophobicContact CG-CZ 4.33Å; Q68-F152 VanDerWaalsContact NE2-CB 3.3Å; Y71-F152 HydrophobicContact CD1-CE2 4.02Å; Y71-F152 HydrophobicContact CG-CE2 4.39Å; W78-F152 HydrophobicContact CB-CE2 4.23Å; W78-F152 AromaticContact CD1-CD2 3.46Å; W78-F152 VanDerWaalsContact CD1-CD2 3.46Å; W78-F152 AromaticContact CD1-CE2 3.89Å; W78-F152 HydrophobicContact CD2-CD2 4.19Å; W78-F152 AromaticContact CG-CD2 3.82Å; W78-F152 HydrophobicContact CG-CD2 3.82Å; W78-F152 AromaticContact CG-CE2 3.93Å; W78-F152 HydrophobicContact CG-CE2 3.93Å; W78-F152 AromaticContact NE1-CD2 3.72Å; A150-F152 VanDerWaalsContact C-N 3.33Å; F152-P154 HydrophobicContact CE1-CB 3.94Å; F152-P154 HydrophobicContact CZ-CB 4.18Å; F152-L158 HydrophobicContact CZ-CD2 4.02Å | ||
| 153 | L | 93.6 | Very high | 93.5 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | trans | -106.6 | 122.3 | 164.9 | -171.5 | 71.8 | 0 | 0 | 0 | 106.5 | W78 Q129 A133 I136 W151 I567 | W78-L153 HydrophobicContact CH2-CB 4.3Å; W78-L153 HydrophobicContact CZ3-CB 4.05Å; W78-L153 WeakPolarHBondContact CZ3-O 3.33Å; Q129-L153 HydrophobicContact CB-CD1 3.69Å; Q129-L153 HydrophobicContact CG-CD1 3.83Å; A133-L153 HydrophobicContact CB-CD2 4.02Å; I136-L153 HydrophobicContact CD1-CB 3.89Å; I136-L153 HydrophobicContact CD1-CD2 4.44Å; W151-L153 PolarHBondContact O-N 3.38Å; L153-I567 HydrophobicContact CD2-CG1 4.05Å | ||
| 154 | P | 92.8 | Very high | 93.5 | Very high | 35 Ų | 35 | 32.5 Ų | 32.5 | 23% | 0.227 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 135.1 | -177 | 26.1 | -34.4 | 0 | 0 | 0 | 110.3 | F152 L158 | F152-P154 HydrophobicContact CE1-CB 3.94Å; F152-P154 HydrophobicContact CZ-CB 4.18Å; P154-L158 HydrophobicContact CB-CB 4.27Å; P154-L158 HydrophobicContact CB-CD2 3.57Å |
| 155 | P | 93.6 | Very high | 93.5 | Very high | 8 Ų | 8 | 30.9 Ų | 30.9 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -52.7 | 146.5 | 169.1 | -27.8 | 36.1 | 0 | 0 | 0 | 111.4 | W78 W84 L158 | W78-P155 HydrophobicContact CB-CG 4.02Å; W84-P155 HydrophobicContact CH2-CB 3.96Å; W84-P155 HydrophobicContact CZ2-CB 3.71Å; W84-P155 HydrophobicContact CZ2-CG 4.48Å; P155-L158 WeakPolarHBondContact O-CB 3.25Å; P155-L158 PolarHBondContact O-N 3.33Å |
| 156 | A | 93.2 | Very high | 93.7 | Very high | 12 Ų | 12 | 28.3 Ų | 28.3 | 10% | 0.099 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 149.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L158 M753 A754 | A156-L158 PolarHBondContact O-N 2.89Å; A156-M753 HydrophobicContact CB-CB 3.96Å; A156-A754 HydrophobicContact CB-CB 4.08Å |
| 157 | C | 93.1 | Very high | 93.8 | Very high | 7 Ų | 7 | 28 Ų | 28 | 5% | 0.047 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 3.8 | -166.5 | 84.3 | 0 | 0 | 0 | 0 | 118.1 | S159 H160 C161 M753 D757 L760 | C157-S159 PolarHBondContact O-N 3.14Å; C157-H160 HydrophobicContact CB-CB 4.44Å; C157-H160 WeakPolarHBondContact O-CA 3.39Å; C157-H160 WeakPolarHBondContact O-CB 3.34Å; C157-H160 PolarHBondContact O-N 2.88Å; C157-C161 PolarHBondContact O-N 3.45Å; C157-C161 PolarHBondContact O-SG 3.44Å; C157-C161 VanDerWaalsContact O-SG 3.32Å; C157-C161 PolarHBondContact SG-SG 3.33Å; C157-M753 WeakPolarHBondContact SG-CE 3.28Å; C157-D757 VanDerWaalsContact CA-OD1 3.25Å; C157-D757 WeakPolarHBondContact CA-OD1 3.44Å; C157-D757 HydrophobicContact CB-CB 3.7Å; C157-D757 VanDerWaalsContact CB-OD1 3.26Å; C157-D757 WeakPolarHBondContact CB-OD1 3.49Å; C157-L760 HydrophobicContact CB-CD1 3.89Å |
| 158 | L | 95.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -52 | -52.2 | -178.3 | 176.4 | 64.9 | 0 | 0 | 0 | 113.4 | L67 Y71 W84 M87 F152 P154 P155 A156 H160 C161 V162 | L67-L158 HydrophobicContact CB-CD2 4.19Å; Y71-L158 HydrophobicContact CD2-CD1 3.63Å; Y71-L158 HydrophobicContact CD2-CD2 4.41Å; Y71-L158 HydrophobicContact CE2-CD1 4.44Å; Y71-L158 HydrophobicContact CG-CD1 4.44Å; W84-L158 HydrophobicContact CH2-CB 4.17Å; W84-L158 HydrophobicContact CH2-CD1 4.24Å; W84-L158 HydrophobicContact CZ3-CB 4.44Å; W84-L158 HydrophobicContact CZ3-CD1 3.82Å; M87-L158 HydrophobicContact SD-CD1 3.57Å; M87-L158 VanDerWaalsContact SD-CD1 3.57Å; F152-L158 HydrophobicContact CZ-CD2 4.02Å; P154-L158 HydrophobicContact CB-CB 4.27Å; P154-L158 HydrophobicContact CB-CD2 3.57Å; P155-L158 WeakPolarHBondContact O-CB 3.25Å; P155-L158 PolarHBondContact O-N 3.33Å; A156-L158 PolarHBondContact O-N 2.89Å; L158-H160 VanDerWaalsContact C-N 3.28Å; L158-H160 PolarHBondContact O-N 3.03Å; L158-C161 PolarHBondContact O-N 3.1Å; L158-C161 VanDerWaalsContact O-N 3.1Å; L158-V162 HydrophobicContact CD1-CG2 3.78Å; L158-V162 HydrophobicContact CG-CG2 4.19Å; L158-V162 WeakPolarHBondContact O-CG2 3.29Å; L158-V162 PolarHBondContact O-N 2.94Å |
| 159 | S | 95.1 | Very high | 94 | Very high | 35 Ų | 35 | 33.4 Ų | 33.4 | 25% | 0.245 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.3 | -39.7 | -179.7 | 179.8 | 0 | 0 | 0 | 0 | 111.9 | F110 C157 R163 | F110-S159 WeakPolarHBondContact CD1-OG 3.41Å; F110-S159 WeakPolarHBondContact CE1-O 3.41Å; C157-S159 PolarHBondContact O-N 3.14Å; S159-R163 WeakPolarHBondContact O-CB 3.43Å; S159-R163 PolarHBondContact O-N 2.81Å |
| 160 | H | 94.9 | Very high | 94.3 | Very high | 11 Ų | 11 | 34.4 Ų | 34.4 | 5% | 0.051 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | 174.2 | -161.6 | 126.7 | 0 | 0 | 0 | 111.6 | C157 L158 R163 L164 Y549 L760 | C157-H160 HydrophobicContact CB-CB 4.44Å; C157-H160 WeakPolarHBondContact O-CA 3.39Å; C157-H160 WeakPolarHBondContact O-CB 3.34Å; C157-H160 PolarHBondContact O-N 2.88Å; L158-H160 VanDerWaalsContact C-N 3.28Å; L158-H160 PolarHBondContact O-N 3.03Å; H160-R163 PolarHBondContact CD2-NH2 2.88Å; H160-R163 PolarHBondContact CE1-NH2 3.14Å; H160-R163 PolarHBondContact ND1-NH2 3.25Å; H160-R163 PolarHBondContact NE2-NH2 2.87Å; H160-R163 WeakPolarHBondContact O-CB 3.3Å; H160-R163 PolarHBondContact O-N 2.76Å; H160-L164 WeakPolarHBondContact O-CG 3.44Å; H160-L164 PolarHBondContact O-N 2.94Å; H160-Y549 AromaticContact CE1-CD2 3.65Å; H160-Y549 AromaticContact ND1-CD2 3.34Å; H160-Y549 VanDerWaalsContact ND1-CD2 3.34Å; H160-Y549 WeakPolarHBondContact ND1-CD2 3.49Å; H160-Y549 AromaticContact ND1-CE2 3.87Å; H160-L760 HydrophobicContact CB-CD1 4.44Å |
| 161 | C | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -71.8 | -39.5 | -177.6 | -65.9 | 0 | 0 | 0 | 0 | 112.7 | W84 M87 C157 L158 R163 L164 A165 P777 W778 | W84-C161 HydrophobicContact CE3-CB 4.14Å; W84-C161 HydrophobicContact CZ3-CB 3.7Å; M87-C161 HydrophobicContact CE-CB 4.17Å; C157-C161 PolarHBondContact O-N 3.45Å; C157-C161 PolarHBondContact O-SG 3.44Å; C157-C161 VanDerWaalsContact O-SG 3.32Å; C157-C161 PolarHBondContact SG-SG 3.33Å; L158-C161 PolarHBondContact O-N 3.1Å; L158-C161 VanDerWaalsContact O-N 3.1Å; C161-R163 VanDerWaalsContact C-N 3.32Å; C161-R163 PolarHBondContact O-N 3.09Å; C161-L164 PolarHBondContact O-N 3.21Å; C161-A165 WeakPolarHBondContact O-CB 3.41Å; C161-A165 PolarHBondContact O-N 3.48Å; C161-P777 WeakPolarHBondContact SG-CD 3.49Å; C161-W778 HydrophobicContact CB-CZ3 4.01Å; C161-W778 WeakPolarHBondContact O-CH2 3.45Å; C161-W778 WeakPolarHBondContact O-CZ3 3.22Å |
| 162 | V | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.7 | -44.5 | 170.3 | 175.9 | 0 | 0 | 0 | 0 | 109.7 | L70 M87 L91 F110 L158 L164 A165 M166 | L70-V162 HydrophobicContact CB-CG1 4.02Å; L70-V162 HydrophobicContact CD1-CG1 4.01Å; M87-V162 HydrophobicContact SD-CG2 3.73Å; L91-V162 HydrophobicContact CD1-CG1 4.15Å; L91-V162 HydrophobicContact CD1-CG2 4.41Å; F110-V162 HydrophobicContact CE1-CG1 4.42Å; F110-V162 HydrophobicContact CZ-CB 4.48Å; F110-V162 HydrophobicContact CZ-CG1 4.11Å; L158-V162 HydrophobicContact CD1-CG2 3.78Å; L158-V162 HydrophobicContact CG-CG2 4.19Å; L158-V162 WeakPolarHBondContact O-CG2 3.29Å; L158-V162 PolarHBondContact O-N 2.94Å; V162-L164 PolarHBondContact O-N 2.82Å; V162-A165 PolarHBondContact O-N 2.9Å; V162-M166 HydrophobicContact CG1-CE 3.94Å; V162-M166 WeakPolarHBondContact O-CG 3.29Å; V162-M166 PolarHBondContact O-N 2.86Å |
| 163 | R | 96.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.015 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.6 | -43.1 | 175.8 | -175.3 | 174.7 | 52 | 57.6 | 11.8 | 112.7 | F110 S159 H160 C161 M166 F167 V173 G546 | F110-R163 HydrophobicContact CD1-CB 4.49Å; F110-R163 HydrophobicContact CD2-CB 4.33Å; F110-R163 HydrophobicContact CD2-CG 4.19Å; F110-R163 HydrophobicContact CE1-CB 3.93Å; F110-R163 HydrophobicContact CE2-CB 3.76Å; F110-R163 HydrophobicContact CE2-CG 3.87Å; F110-R163 VanDerWaalsContact CZ-CA 3.46Å; F110-R163 HydrophobicContact CZ-CB 3.54Å; F110-R163 HydrophobicContact CZ-CG 4.2Å; S159-R163 WeakPolarHBondContact O-CB 3.43Å; S159-R163 PolarHBondContact O-N 2.81Å; H160-R163 PolarHBondContact CD2-NH2 2.88Å; H160-R163 PolarHBondContact CE1-NH2 3.14Å; H160-R163 PolarHBondContact ND1-NH2 3.25Å; H160-R163 PolarHBondContact NE2-NH2 2.87Å; H160-R163 WeakPolarHBondContact O-CB 3.3Å; H160-R163 PolarHBondContact O-N 2.76Å; C161-R163 VanDerWaalsContact C-N 3.32Å; C161-R163 PolarHBondContact O-N 3.09Å; R163-M166 PolarHBondContact O-N 3.31Å; R163-F167 HydrophobicContact CG-CE2 3.95Å; R163-F167 VanDerWaalsContact O-CD2 3.25Å; R163-F167 WeakPolarHBondContact O-CD2 3.46Å; R163-F167 PolarHBondContact O-N 3.06Å; R163-V173 HydrophobicContact CG-CG1 3.78Å; R163-V173 HydrophobicContact CG-CG2 4.25Å; R163-G546 WeakPolarHBondContact CD-O 3.15Å; R163-G546 PolarHBondContact NH1-O 3.21Å |
| 164 | L | 95 | Very high | 94.7 | Very high | 12 Ų | 12 | 28.3 Ų | 28.3 | 6% | 0.063 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.5 | -37.1 | 176.8 | -69.3 | 180 | 0 | 0 | 0 | 112.8 | H160 C161 V162 M166 F167 R168 L760 W772 C776 W778 | H160-L164 WeakPolarHBondContact O-CG 3.44Å; H160-L164 PolarHBondContact O-N 2.94Å; C161-L164 PolarHBondContact O-N 3.21Å; V162-L164 PolarHBondContact O-N 2.82Å; L164-M166 VanDerWaalsContact C-N 3.33Å; L164-M166 PolarHBondContact O-N 3.3Å; L164-F167 HydrophobicContact CD2-CD2 4.24Å; L164-F167 PolarHBondContact O-N 3.37Å; L164-R168 PolarHBondContact O-N 2.77Å; L164-R168 VanDerWaalsContact O-N 3.1Å; L164-L760 HydrophobicContact CD1-CD2 4.31Å; L164-W772 HydrophobicContact CB-CE3 3.87Å; L164-W772 HydrophobicContact CB-CZ3 4.22Å; L164-W772 HydrophobicContact CD1-CB 4.25Å; L164-W772 HydrophobicContact CD1-CE3 4.35Å; L164-W772 HydrophobicContact CD2-CB 4.11Å; L164-W772 HydrophobicContact CD2-CD2 4.34Å; L164-W772 HydrophobicContact CD2-CE3 4.16Å; L164-W772 HydrophobicContact CD2-CG 4.32Å; L164-W772 HydrophobicContact CG-CE3 4.34Å; L164-C776 WeakPolarHBondContact CD1-SG 3.27Å; L164-W778 HydrophobicContact CB-CH2 4.27Å |
| 165 | A | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.9 | -39.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | L88 L91 C161 V162 F167 R168 F169 W778 | L88-A165 HydrophobicContact CD1-CB 3.86Å; L91-A165 HydrophobicContact CD1-CB 3.72Å; C161-A165 WeakPolarHBondContact O-CB 3.41Å; C161-A165 PolarHBondContact O-N 3.48Å; V162-A165 PolarHBondContact O-N 2.9Å; A165-F167 VanDerWaalsContact C-N 3.34Å; A165-F167 PolarHBondContact O-N 3.46Å; A165-R168 VanDerWaalsContact O-CB 3.29Å; A165-R168 WeakPolarHBondContact O-CB 3.03Å; A165-R168 PolarHBondContact O-N 3.37Å; A165-R168 VanDerWaalsContact O-N 3.1Å; A165-F169 HydrophobicContact CB-CE2 4.15Å; A165-F169 WeakPolarHBondContact O-CD2 3.4Å; A165-F169 PolarHBondContact O-N 3.37Å; A165-F169 VanDerWaalsContact O-N 3.09Å; A165-W778 HydrophobicContact CB-CH2 3.94Å; A165-W778 HydrophobicContact CB-CZ3 4.13Å |
| 166 | M | 96.1 | Very high | 95 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.02 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.9 | -42.8 | 174.7 | -67.2 | -54.7 | 171.4 | 0 | 0 | 112 | L70 L91 V108 V162 R163 L164 R168 F169 R170 V171 V173 | L70-M166 HydrophobicContact CD1-CE 4.43Å; L70-M166 HydrophobicContact CD2-CE 3.98Å; L91-M166 HydrophobicContact CD1-CE 4.42Å; L91-M166 HydrophobicContact CD2-CE 3.63Å; V108-M166 HydrophobicContact CB-CG 4.37Å; V108-M166 HydrophobicContact CG1-CG 4.49Å; V108-M166 HydrophobicContact CG2-CE 3.99Å; V108-M166 HydrophobicContact CG2-CG 4.17Å; V108-M166 HydrophobicContact CG2-SD 3.93Å; V162-M166 HydrophobicContact CG1-CE 3.94Å; V162-M166 WeakPolarHBondContact O-CG 3.29Å; V162-M166 PolarHBondContact O-N 2.86Å; R163-M166 PolarHBondContact O-N 3.31Å; L164-M166 VanDerWaalsContact C-N 3.33Å; L164-M166 PolarHBondContact O-N 3.3Å; M166-R168 PolarHBondContact O-N 2.85Å; M166-F169 CarbonylContact O-C 3.36Å; M166-F169 PolarHBondContact O-N 3.14Å; M166-R170 PolarHBondContact O-N 2.78Å; M166-R170 VanDerWaalsContact O-N 3.13Å; M166-V171 HydrophobicContact CB-CB 3.96Å; M166-V171 HydrophobicContact CB-CG1 4.17Å; M166-V171 HydrophobicContact CG-CB 4.44Å; M166-V171 HydrophobicContact CG-CG1 4.27Å; M166-V171 WeakPolarHBondContact O-CB 3.48Å; M166-V171 PolarHBondContact O-N 3.32Å; M166-V171 HydrophobicContact SD-CB 3.93Å; M166-V171 HydrophobicContact SD-CG1 3.74Å; M166-V171 HydrophobicContact SD-CG2 4.12Å; M166-V173 HydrophobicContact CB-CG2 3.72Å |
| 167 | F | 93.7 | Very high | 94.9 | Very high | 59 Ų | 59 | 26.1 Ų | 26.1 | 26% | 0.259 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -63.4 | -39.5 | 173.3 | -65.8 | -60.7 | 0 | 0 | 0 | 112.9 | R163 L164 A165 F169 R170 V173 R545 G546 L547 | R163-F167 HydrophobicContact CG-CE2 3.95Å; R163-F167 VanDerWaalsContact O-CD2 3.25Å; R163-F167 WeakPolarHBondContact O-CD2 3.46Å; R163-F167 PolarHBondContact O-N 3.06Å; L164-F167 HydrophobicContact CD2-CD2 4.24Å; L164-F167 PolarHBondContact O-N 3.37Å; A165-F167 VanDerWaalsContact C-N 3.34Å; A165-F167 PolarHBondContact O-N 3.46Å; F167-F169 PolarHBondContact O-N 3.48Å; F167-R170 PolarHBondContact O-N 2.69Å; F167-V173 HydrophobicContact CD1-CG2 4.19Å; F167-V173 HydrophobicContact CD2-CG2 4.47Å; F167-V173 HydrophobicContact CE1-CB 3.72Å; F167-V173 HydrophobicContact CE1-CG2 3.8Å; F167-V173 HydrophobicContact CE2-CB 4.35Å; F167-V173 HydrophobicContact CE2-CG1 4.48Å; F167-V173 HydrophobicContact CE2-CG2 4.1Å; F167-V173 HydrophobicContact CZ-CB 3.59Å; F167-V173 HydrophobicContact CZ-CG1 3.93Å; F167-V173 HydrophobicContact CZ-CG2 3.75Å; F167-R545 WeakPolarHBondContact CZ-O 3.29Å; F167-G546 WeakPolarHBondContact CE2-O 3.46Å; F167-G546 WeakPolarHBondContact CZ-O 3.43Å; F167-L547 HydrophobicContact CE1-CD2 3.92Å; F167-L547 HydrophobicContact CE2-CD2 4.38Å; F167-L547 HydrophobicContact CZ-CD2 3.76Å |
| 168 | R | 94.9 | Very high | 94.7 | Very high | 138 Ų | 138 | 31.2 Ų | 31.2 | 52% | 0.521 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -55 | -41.2 | 175 | -166.7 | 177.2 | 172.5 | 76 | -2.3 | 111.7 | L164 A165 M166 R170 W772 | L164-R168 PolarHBondContact O-N 2.77Å; L164-R168 VanDerWaalsContact O-N 3.1Å; A165-R168 VanDerWaalsContact O-CB 3.29Å; A165-R168 WeakPolarHBondContact O-CB 3.03Å; A165-R168 PolarHBondContact O-N 3.37Å; A165-R168 VanDerWaalsContact O-N 3.1Å; M166-R168 PolarHBondContact O-N 2.85Å; R168-R170 VanDerWaalsContact C-N 3.31Å; R168-W772 HydrophobicContact CB-CH2 3.74Å; R168-W772 HydrophobicContact CB-CZ3 4.35Å; R168-W772 HydrophobicContact CG-CH2 4.08Å |
| 169 | F | 95.4 | Very high | 94.4 | Very high | 38 Ų | 38 | 32.8 Ų | 32.8 | 17% | 0.167 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 10.9 | 179.2 | -51.9 | -51.1 | 0 | 0 | 0 | 113.9 | L88 L91 A92 A165 M166 F167 V171 | L88-F169 HydrophobicContact CD1-CE2 3.92Å; L88-F169 HydrophobicContact CD1-CZ 3.67Å; L88-F169 HydrophobicContact CG-CZ 4.01Å; L88-F169 WeakPolarHBondContact O-CZ 3.47Å; L91-F169 HydrophobicContact CB-CD2 4.12Å; L91-F169 HydrophobicContact CB-CE2 3.7Å; A92-F169 HydrophobicContact CB-CD1 4.19Å; A92-F169 HydrophobicContact CB-CE1 3.52Å; A92-F169 HydrophobicContact CB-CE2 4.21Å; A92-F169 HydrophobicContact CB-CZ 3.53Å; A165-F169 HydrophobicContact CB-CE2 4.15Å; A165-F169 WeakPolarHBondContact O-CD2 3.4Å; A165-F169 PolarHBondContact O-N 3.37Å; A165-F169 VanDerWaalsContact O-N 3.09Å; M166-F169 CarbonylContact O-C 3.36Å; M166-F169 PolarHBondContact O-N 3.14Å; F167-F169 PolarHBondContact O-N 3.48Å; F169-V171 HydrophobicContact CB-CG2 4.3Å; F169-V171 PolarHBondContact O-N 2.74Å |
| 170 | R | 92.9 | Very high | 94.4 | Very high | 151 Ų | 151 | 31.3 Ų | 31.3 | 57% | 0.57 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 17.6 | -179.6 | -54.2 | -179.9 | -179.3 | -178.8 | 0.7 | 114.6 | M166 F167 R168 F368 | M166-R170 PolarHBondContact O-N 2.78Å; M166-R170 VanDerWaalsContact O-N 3.13Å; F167-R170 PolarHBondContact O-N 2.69Å; R168-R170 VanDerWaalsContact C-N 3.31Å; R170-F368 HydrophobicContact CB-CE2 4.21Å; R170-F368 HydrophobicContact CB-CZ 3.88Å; R170-F368 HydrophobicContact CG-CZ 4.36Å |
| 171 | V | 94.5 | Very high | 94.3 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 6% | 0.061 | 13% | 0.133 | C | C | . | . | P | Polyproline II helix | trans | -69.1 | 136.5 | 173.3 | 173.9 | 0 | 0 | 0 | 0 | 109.3 | S95 L106 V108 M166 F169 V173 | S95-V171 VanDerWaalsContact OG-CG2 3.3Å; S95-V171 WeakPolarHBondContact OG-CG2 3.47Å; L106-V171 HydrophobicContact CB-CG1 3.94Å; L106-V171 HydrophobicContact CB-CG2 4.44Å; V108-V171 HydrophobicContact CB-CG1 4.49Å; V108-V171 HydrophobicContact CG2-CG1 3.67Å; M166-V171 HydrophobicContact CB-CB 3.96Å; M166-V171 HydrophobicContact CB-CG1 4.17Å; M166-V171 HydrophobicContact CG-CB 4.44Å; M166-V171 HydrophobicContact CG-CG1 4.27Å; M166-V171 WeakPolarHBondContact O-CB 3.48Å; M166-V171 PolarHBondContact O-N 3.32Å; M166-V171 HydrophobicContact SD-CB 3.93Å; M166-V171 HydrophobicContact SD-CG1 3.74Å; M166-V171 HydrophobicContact SD-CG2 4.12Å; F169-V171 HydrophobicContact CB-CG2 4.3Å; F169-V171 PolarHBondContact O-N 2.74Å; V171-V173 PolarHBondContact O-N 2.91Å |
| 172 | R | 93 | Very high | 94.1 | Very high | 54 Ų | 54 | 33 Ų | 33 | 20% | 0.204 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 119.4 | -174.9 | -160.2 | -166.8 | -60 | -147.5 | -1.9 | 110.1 | R58 E105 V107 V108 F363 | R58-R172 VanDerWaalsContact NH2-CZ 3.31Å; E105-R172 IonicContact OE1-CZ 3.35Å; E105-R172 IonicContact OE1-NE 3.76Å; E105-R172 PolarHBondContact OE1-NE 2.87Å; E105-R172 IonicContact OE1-NH2 3.83Å; E105-R172 PolarHBondContact OE1-NH2 2.84Å; E105-R172 IonicContact OE2-NH2 3.31Å; E105-R172 PolarHBondContact OE2-NH2 3.27Å; V107-R172 CarbonylContact C-O 3.54Å; V107-R172 WeakPolarHBondContact CA-O 3.46Å; V107-R172 HydrophobicContact CB-CB 4.49Å; V107-R172 HydrophobicContact CG1-CB 4.28Å; V107-R172 HydrophobicContact CG2-CB 4.03Å; V108-R172 PolarHBondContact N-O 3.46Å; R172-F363 HydrophobicContact CG-CE2 3.96Å; R172-F363 HydrophobicContact CG-CZ 4.46Å; R172-F363 PolarHBondContact NH1-O 2.82Å |
| 173 | V | 95.2 | Very high | 93.9 | Very high | 10 Ų | 10 | 33.3 Ų | 33.3 | 6% | 0.061 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 139.5 | 176.9 | 173.7 | 0 | 0 | 0 | 0 | 111 | V108 F110 R163 M166 F167 V171 | V108-V173 CarbonylContact O-C 3.36Å; V108-V173 WeakPolarHBondContact O-CA 3.41Å; F110-V173 HydrophobicContact CD2-CG1 3.99Å; F110-V173 HydrophobicContact CE2-CG1 4.14Å; F110-V173 HydrophobicContact CE2-CG2 4.47Å; R163-V173 HydrophobicContact CG-CG1 3.78Å; R163-V173 HydrophobicContact CG-CG2 4.25Å; M166-V173 HydrophobicContact CB-CG2 3.72Å; F167-V173 HydrophobicContact CD1-CG2 4.19Å; F167-V173 HydrophobicContact CD2-CG2 4.47Å; F167-V173 HydrophobicContact CE1-CB 3.72Å; F167-V173 HydrophobicContact CE1-CG2 3.8Å; F167-V173 HydrophobicContact CE2-CB 4.35Å; F167-V173 HydrophobicContact CE2-CG1 4.48Å; F167-V173 HydrophobicContact CE2-CG2 4.1Å; F167-V173 HydrophobicContact CZ-CB 3.59Å; F167-V173 HydrophobicContact CZ-CG1 3.93Å; F167-V173 HydrophobicContact CZ-CG2 3.75Å; V171-V173 PolarHBondContact O-N 2.91Å |
| 174 | V | 95.7 | Very high | 93.8 | Very high | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.03 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 153.9 | 164.6 | -178.3 | 0 | 0 | 0 | 0 | 109 | V107 V108 V109 F110 L187 L360 F363 | V107-V174 HydrophobicContact CG1-CG2 4.23Å; V108-V174 PolarHBondContact O-N 3.18Å; V109-V174 CarbonylContact C-O 3.54Å; V109-V174 WeakPolarHBondContact CA-O 3.47Å; V109-V174 HydrophobicContact CG1-CB 4.29Å; V109-V174 HydrophobicContact CG1-CG1 4.28Å; V109-V174 HydrophobicContact CG2-CB 4.3Å; F110-V174 PolarHBondContact N-O 3.18Å; V174-L187 HydrophobicContact CB-CD1 4.49Å; V174-L187 HydrophobicContact CG1-CD1 3.78Å; V174-L360 HydrophobicContact CG1-CD1 3.86Å; V174-L360 HydrophobicContact CG2-CD1 3.99Å; V174-F363 HydrophobicContact CG2-CD2 4.42Å; V174-F363 HydrophobicContact CG2-CE1 4.39Å; V174-F363 HydrophobicContact CG2-CE2 3.28Å; V174-F363 HydrophobicContact CG2-CZ 3.26Å |
| 175 | Q | 96 | Very high | 93.7 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 127.1 | 173.5 | -168.8 | 177.4 | -79.5 | 0 | 0 | 109.8 | F110 H543 R544 | F110-Q175 HydrophobicContact CB-CG 4.21Å; F110-Q175 WeakPolarHBondContact O-CA 3.12Å; Q175-H543 VanDerWaalsContact CB-O 3.31Å; Q175-H543 WeakPolarHBondContact CB-O 3.15Å; Q175-H543 PolarHBondContact NE2-CE1 3.16Å; Q175-H543 PolarHBondContact NE2-ND1 3.28Å; Q175-H543 PolarHBondContact NE2-O 3.05Å; Q175-R544 PolarHBondContact N-O 3.37Å; Q175-R544 WeakPolarHBondContact O-CA 3.22Å |
| 176 | T | 95.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | trans | -74.5 | 156.6 | -173.3 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | V109 F110 G112 T113 H180 E183 H543 | V109-T176 HydrophobicContact CG1-CG2 3.72Å; F110-T176 PolarHBondContact O-N 3.05Å; F110-T176 VanDerWaalsContact O-N 3.1Å; F110-T176 PolarHBondContact O-OG1 2.79Å; G112-T176 CarbonylContact C-O 3.6Å; G112-T176 WeakPolarHBondContact CA-O 3.38Å; G112-T176 PolarHBondContact N-O 3.5Å; G112-T176 PolarHBondContact N-OG1 2.85Å; T113-T176 WeakPolarHBondContact CG2-OG1 3.39Å; T176-H180 HydrophobicContact CG2-CB 4.42Å; T176-H180 WeakPolarHBondContact CG2-ND1 3.43Å; T176-H180 PolarHBondContact OG1-ND1 3.35Å; T176-E183 WeakPolarHBondContact CA-OE1 3.04Å; T176-E183 VanDerWaalsContact CB-OE1 3.29Å; T176-E183 WeakPolarHBondContact CB-OE1 3.49Å; T176-E183 HydrophobicContact CG2-CB 3.59Å; T176-H543 PolarHBondContact O-NE2 3.41Å | ||
| 177 | L | 91.9 | Very high | 93 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -116.6 | -31.4 | -174.4 | -158 | 77.2 | 0 | 0 | 0 | 113.7 | E183 E540 H543 R544 Y553 H554 | L177-E183 PolarHBondContact N-OE1 3.13Å; L177-E540 HydrophobicContact CD1-CG 4.44Å; L177-E540 HydrophobicContact CD2-CG 4.11Å; L177-H543 WeakPolarHBondContact CD1-CD2 3.23Å; L177-R544 VanDerWaalsContact CD2-NH2 3.29Å; L177-Y553 HydrophobicContact CD1-CD1 3.51Å; L177-Y553 HydrophobicContact CD1-CE1 3.54Å; L177-Y553 HydrophobicContact CD1-CG 4.15Å; L177-Y553 HydrophobicContact CD2-CE1 4.03Å; L177-Y553 HydrophobicContact CG-CD1 4.37Å; L177-Y553 HydrophobicContact CG-CE1 3.97Å; L177-H554 PolarHBondContact O-NE2 3.37Å |
| 178 | E | 87.6 | Confident | 92.9 | Very high | 114 Ų | 114 | 32.5 Ų | 32.5 | 53% | 0.533 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -122 | -92.1 | -167 | -62.6 | -171.9 | 158.2 | 0 | 0 | 113.7 | T113 E183 | T113-E178 WeakPolarHBondContact CB-O 3.45Å; T113-E178 WeakPolarHBondContact CG2-O 3.33Å; E178-E183 PolarHBondContact N-OE1 2.99Å |
| 179 | D | 90.6 | Very high | 92.5 | Very high | 34 Ų | 34 | 29.4 Ų | 29.4 | 18% | 0.182 | 13% | 0.128 | C | C | . | . | trans | -104.1 | 119.2 | 163.7 | -179.3 | -111.1 | 0 | 0 | 0 | 109.2 | R118 H181 Q182 E183 Y341 | R118-D179 IonicContact CZ-OD2 3.69Å; R118-D179 IonicContact NE-OD2 2.74Å; R118-D179 PolarHBondContact NE-OD2 3.03Å; R118-D179 IonicContact NH2-OD1 2.68Å; R118-D179 PolarHBondContact NH2-OD1 2.87Å; R118-D179 IonicContact NH2-OD2 3.82Å; R118-D179 PolarHBondContact NH2-OD2 3.21Å; R118-D179 VanDerWaalsContact NH2-OD2 3.09Å; D179-H181 PolarHBondContact O-N 2.8Å; D179-H181 PolarHBondContact OD1-N 2.78Å; D179-Q182 HydrophobicContact CB-CB 4.34Å; D179-Q182 WeakPolarHBondContact OD1-CG 3.38Å; D179-Q182 PolarHBondContact OD1-N 3.3Å; D179-E183 WeakPolarHBondContact O-CB 3.43Å; D179-E183 PolarHBondContact O-N 3.04Å; D179-Y341 PolarHBondContact OD1-OH 3.33Å | ||
| 180 | H | 93.9 | Very high | 91.9 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.019 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63 | -41.6 | -173.5 | 171.1 | 79.5 | 0 | 0 | 0 | 112.4 | D62 N111 T113 T176 E183 V184 | D62-H180 IonicContact OD1-CE1 2.73Å; D62-H180 PolarHBondContact OD1-CE1 2.81Å; D62-H180 IonicContact OD1-NE2 2.87Å; D62-H180 PolarHBondContact OD1-NE2 3.48Å; N111-H180 WeakPolarHBondContact CA-ND1 3.49Å; N111-H180 HydrophobicContact CB-CB 4.44Å; T113-H180 HydrophobicContact CG2-CB 4.1Å; T176-H180 HydrophobicContact CG2-CB 4.42Å; T176-H180 WeakPolarHBondContact CG2-ND1 3.43Å; T176-H180 PolarHBondContact OG1-ND1 3.35Å; H180-E183 PolarHBondContact O-N 3.06Å; H180-V184 WeakPolarHBondContact O-CB 3.34Å; H180-V184 VanDerWaalsContact O-CG2 3.29Å; H180-V184 WeakPolarHBondContact O-CG2 3.13Å; H180-V184 PolarHBondContact O-N 3.29Å |
| 181 | H | 93.4 | Very high | 91.5 | Very high | 11 Ų | 11 | 23.7 Ų | 23.7 | 5% | 0.051 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.7 | -43.5 | -176.9 | -63.4 | 67.8 | 0 | 0 | 0 | 112.1 | R118 D179 V184 L185 D200 E202 F203 | R118-H181 PolarHBondContact NH2-ND1 3.33Å; D179-H181 PolarHBondContact O-N 2.8Å; D179-H181 PolarHBondContact OD1-N 2.78Å; H181-V184 PolarHBondContact O-N 3.32Å; H181-L185 WeakPolarHBondContact O-CB 3.34Å; H181-L185 VanDerWaalsContact O-CG 3.3Å; H181-L185 WeakPolarHBondContact O-CG 3.46Å; H181-L185 PolarHBondContact O-N 3.21Å; H181-D200 IonicContact CD2-OD2 3.36Å; H181-D200 IonicContact CE1-OD2 3.04Å; H181-D200 IonicContact NE2-OD2 2.68Å; H181-D200 PolarHBondContact NE2-OD2 2.99Å; H181-E202 WeakPolarHBondContact CB-OE1 3.44Å; H181-E202 IonicContact CD2-OE1 3.95Å; H181-E202 PolarHBondContact CD2-OE1 3.35Å; H181-E202 VanDerWaalsContact CD2-OE1 3.32Å; H181-E202 IonicContact CG-OE1 2.72Å; H181-F203 HydrophobicContact CB-CE1 3.93Å; H181-F203 HydrophobicContact CB-CZ 4.33Å; H181-F203 AromaticContact CD2-CE1 3.75Å; H181-F203 AromaticContact CD2-CZ 3.63Å |
| 182 | Q | 91.3 | Very high | 90.8 | Very high | 35 Ų | 35 | 25.8 Ų | 25.8 | 16% | 0.164 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.9 | -38.2 | 173.3 | -69.4 | -65.6 | -22.7 | 0 | 0 | 112.5 | D179 S186 Y341 | D179-Q182 HydrophobicContact CB-CB 4.34Å; D179-Q182 WeakPolarHBondContact OD1-CG 3.38Å; D179-Q182 PolarHBondContact OD1-N 3.3Å; Q182-S186 WeakPolarHBondContact O-CB 3.31Å; Q182-S186 PolarHBondContact O-N 3.25Å; Q182-S186 PolarHBondContact O-OG 3.07Å; Q182-Y341 HydrophobicContact CG-CD2 4.48Å; Q182-Y341 HydrophobicContact CG-CE2 3.6Å |
| 183 | E | 92.3 | Very high | 90.7 | Very high | 8 Ų | 8 | 23.7 Ų | 23.7 | 4% | 0.037 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.2 | -40.1 | 173.5 | -81.6 | -177.4 | -73.9 | 0 | 0 | 111.7 | T176 L177 E178 D179 H180 S186 L187 F358 R544 | T176-E183 WeakPolarHBondContact CA-OE1 3.04Å; T176-E183 VanDerWaalsContact CB-OE1 3.29Å; T176-E183 WeakPolarHBondContact CB-OE1 3.49Å; T176-E183 HydrophobicContact CG2-CB 3.59Å; L177-E183 PolarHBondContact N-OE1 3.13Å; E178-E183 PolarHBondContact N-OE1 2.99Å; D179-E183 WeakPolarHBondContact O-CB 3.43Å; D179-E183 PolarHBondContact O-N 3.04Å; H180-E183 PolarHBondContact O-N 3.06Å; E183-S186 PolarHBondContact O-N 2.92Å; E183-L187 VanDerWaalsContact O-CB 3.31Å; E183-L187 WeakPolarHBondContact O-CB 3.37Å; E183-L187 WeakPolarHBondContact O-CD1 3.2Å; E183-L187 WeakPolarHBondContact O-CG 3.44Å; E183-L187 PolarHBondContact O-N 2.99Å; E183-F358 HydrophobicContact CG-CD1 3.6Å; E183-F358 HydrophobicContact CG-CD2 4.29Å; E183-F358 HydrophobicContact CG-CE1 3.71Å; E183-F358 HydrophobicContact CG-CE2 4.38Å; E183-F358 HydrophobicContact CG-CG 3.91Å; E183-F358 HydrophobicContact CG-CZ 4.11Å; E183-R544 IonicContact OE2-CZ 3.45Å; E183-R544 IonicContact OE2-NH1 3.75Å; E183-R544 PolarHBondContact OE2-NH1 3.18Å |
| 184 | V | 94.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.5 | -45.7 | 174.6 | 166.2 | 0 | 0 | 0 | 0 | 112 | L60 V109 H180 H181 L187 Y188 L196 F203 | L60-V184 HydrophobicContact CD2-CG1 4.21Å; V109-V184 HydrophobicContact CB-CG2 4.15Å; V109-V184 HydrophobicContact CG1-CG2 3.81Å; V109-V184 HydrophobicContact CG2-CG2 4.43Å; H180-V184 WeakPolarHBondContact O-CB 3.34Å; H180-V184 VanDerWaalsContact O-CG2 3.29Å; H180-V184 WeakPolarHBondContact O-CG2 3.13Å; H180-V184 PolarHBondContact O-N 3.29Å; H181-V184 PolarHBondContact O-N 3.32Å; V184-L187 PolarHBondContact O-N 3.3Å; V184-Y188 WeakPolarHBondContact O-CB 3.41Å; V184-Y188 PolarHBondContact O-N 3.04Å; V184-L196 HydrophobicContact CG1-CD1 3.88Å; V184-L196 HydrophobicContact CG1-CD2 4.11Å; V184-F203 HydrophobicContact CB-CE1 4.06Å; V184-F203 HydrophobicContact CB-CZ 3.97Å; V184-F203 HydrophobicContact CG1-CE1 3.79Å; V184-F203 HydrophobicContact CG1-CE2 4.39Å; V184-F203 HydrophobicContact CG1-CZ 3.67Å; V184-F203 HydrophobicContact CG2-CZ 4.42Å |
| 185 | L | 92.4 | Very high | 90.4 | Very high | 10 Ų | 10 | 25.8 Ų | 25.8 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.5 | -38.6 | 178.1 | -71.8 | 169.3 | 0 | 0 | 0 | 112.2 | H181 Y188 R189 F203 C206 V208 A345 | H181-L185 WeakPolarHBondContact O-CB 3.34Å; H181-L185 VanDerWaalsContact O-CG 3.3Å; H181-L185 WeakPolarHBondContact O-CG 3.46Å; H181-L185 PolarHBondContact O-N 3.21Å; L185-Y188 PolarHBondContact O-N 3.03Å; L185-R189 WeakPolarHBondContact O-CB 3.49Å; L185-R189 PolarHBondContact O-N 3.26Å; L185-F203 HydrophobicContact CD1-CD1 4.34Å; L185-F203 HydrophobicContact CD2-CD1 3.95Å; L185-F203 HydrophobicContact CG-CD1 3.98Å; L185-F203 HydrophobicContact CG-CE1 4.11Å; L185-C206 HydrophobicContact CD1-CB 3.9Å; L185-C206 HydrophobicContact CD2-CB 4.14Å; L185-V208 HydrophobicContact CD2-CG2 3.44Å; L185-V208 VanDerWaalsContact CD2-CG2 3.44Å; L185-A345 HydrophobicContact CD1-CB 3.79Å |
| 186 | S | 89.4 | Confident | 90.5 | Very high | 9 Ų | 9 | 25.7 Ų | 25.7 | 6% | 0.063 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.8 | -43.3 | 173.8 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | Q182 E183 Y188 R189 D190 | Q182-S186 WeakPolarHBondContact O-CB 3.31Å; Q182-S186 PolarHBondContact O-N 3.25Å; Q182-S186 PolarHBondContact O-OG 3.07Å; E183-S186 PolarHBondContact O-N 2.92Å; S186-Y188 PolarHBondContact O-N 2.65Å; S186-R189 PolarHBondContact O-N 3.09Å; S186-D190 WeakPolarHBondContact O-CA 3.4Å; S186-D190 WeakPolarHBondContact O-CB 3.27Å; S186-D190 PolarHBondContact O-N 3.48Å |
| 187 | L | 89.1 | Confident | 90.5 | Very high | 10 Ų | 10 | 25.8 Ų | 25.8 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.5 | -49.1 | 173.7 | -77.1 | 162.8 | 0 | 0 | 0 | 111.4 | L60 V109 V174 E183 V184 Y191 F193 F363 | L60-L187 HydrophobicContact CD2-CB 3.98Å; V109-L187 HydrophobicContact CG1-CD1 4.27Å; V109-L187 HydrophobicContact CG2-CD1 4.11Å; V174-L187 HydrophobicContact CB-CD1 4.49Å; V174-L187 HydrophobicContact CG1-CD1 3.78Å; E183-L187 VanDerWaalsContact O-CB 3.31Å; E183-L187 WeakPolarHBondContact O-CB 3.37Å; E183-L187 WeakPolarHBondContact O-CD1 3.2Å; E183-L187 WeakPolarHBondContact O-CG 3.44Å; E183-L187 PolarHBondContact O-N 2.99Å; V184-L187 PolarHBondContact O-N 3.3Å; L187-Y191 HydrophobicContact CD2-CD2 4.01Å; L187-Y191 HydrophobicContact CD2-CE2 3.97Å; L187-Y191 WeakPolarHBondContact O-CB 3.3Å; L187-Y191 PolarHBondContact O-N 3.41Å; L187-F193 VanDerWaalsContact O-CD2 3.25Å; L187-F193 WeakPolarHBondContact O-CD2 3.24Å; L187-F193 WeakPolarHBondContact O-CE2 3.28Å; L187-F363 HydrophobicContact CD2-CE1 4.16Å |
| 188 | Y | 90.9 | Very high | 90.8 | Very high | 33 Ų | 33 | 25.5 Ų | 25.5 | 13% | 0.129 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -54.3 | -53.9 | 177.6 | 173.6 | -95.2 | 0 | 0 | 0 | 111.9 | V184 L185 S186 G192 F193 L196 V208 | V184-Y188 WeakPolarHBondContact O-CB 3.41Å; V184-Y188 PolarHBondContact O-N 3.04Å; L185-Y188 PolarHBondContact O-N 3.03Å; S186-Y188 PolarHBondContact O-N 2.65Å; Y188-G192 PolarHBondContact O-N 3.1Å; Y188-F193 HydrophobicContact CD2-CB 3.75Å; Y188-F193 HydrophobicContact CE2-CB 4.23Å; Y188-F193 HydrophobicContact CG-CB 4.47Å; Y188-F193 PolarHBondContact O-N 3.1Å; Y188-F193 VanDerWaalsContact O-N 3.09Å; Y188-L196 HydrophobicContact CD2-CB 3.93Å; Y188-L196 HydrophobicContact CE2-CB 4.17Å; Y188-V208 HydrophobicContact CD1-CG1 4.42Å; Y188-V208 HydrophobicContact CE1-CG1 3.94Å; Y188-V208 HydrophobicContact CE2-CG1 4.07Å |
| 189 | R | 87 | Confident | 91.1 | Very high | 73 Ų | 73 | 22.6 Ų | 22.6 | 28% | 0.275 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -73.2 | -42.1 | -175.5 | -178 | -178.5 | 65.9 | -151.3 | -12.3 | 113.5 | L185 S186 K347 R349 | L185-R189 WeakPolarHBondContact O-CB 3.49Å; L185-R189 PolarHBondContact O-N 3.26Å; S186-R189 PolarHBondContact O-N 3.09Å; R189-K347 PolarHBondContact NH1-O 2.85Å; R189-K347 VanDerWaalsContact NH1-O 3.12Å; R189-R349 HydrophobicContact CG-CB 3.79Å; R189-R349 HydrophobicContact CG-CG 4.43Å |
| 190 | D | 83.9 | Confident | 91.2 | Very high | 25 Ų | 25 | 21.5 Ų | 21.5 | 13% | 0.134 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -88.8 | -17.5 | -165.6 | -55.4 | -13.4 | 0 | 0 | 0 | 112 | S186 R349 S356 | S186-D190 WeakPolarHBondContact O-CA 3.4Å; S186-D190 WeakPolarHBondContact O-CB 3.27Å; S186-D190 PolarHBondContact O-N 3.48Å; D190-R349 VanDerWaalsContact C-NH1 3.27Å; D190-R349 PolarHBondContact O-NH1 2.95Å; D190-S356 WeakPolarHBondContact OD2-CB 3.46Å; D190-S356 PolarHBondContact OD2-OG 2.85Å |
| 191 | Y | 82.6 | Confident | 91.1 | Very high | 44 Ų | 44 | 21.5 Ų | 21.5 | 17% | 0.173 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | 12.8 | 174.8 | -66 | -86.6 | 0 | 0 | 0 | 114.9 | R58 L187 I359 L360 F363 | R58-Y191 PolarHBondContact NH1-O 3.46Å; R58-Y191 VanDerWaalsContact NH1-O 3.13Å; L187-Y191 HydrophobicContact CD2-CD2 4.01Å; L187-Y191 HydrophobicContact CD2-CE2 3.97Å; L187-Y191 WeakPolarHBondContact O-CB 3.3Å; L187-Y191 PolarHBondContact O-N 3.41Å; Y191-I359 WeakPolarHBondContact OH-CA 3.48Å; Y191-L360 PolarHBondContact OH-N 3.4Å; Y191-F363 AromaticContact CD1-CD1 3.72Å; Y191-F363 HydrophobicContact CD1-CD1 3.72Å; Y191-F363 WeakPolarHBondContact CD1-O 3.47Å; Y191-F363 HydrophobicContact CD2-CD1 4.19Å; Y191-F363 HydrophobicContact CE1-CB 3.88Å; Y191-F363 AromaticContact CE1-CD1 3.69Å; Y191-F363 HydrophobicContact CE1-CD1 3.69Å; Y191-F363 HydrophobicContact CE1-CG 4.27Å; Y191-F363 HydrophobicContact CE2-CD1 4.15Å; Y191-F363 AromaticContact CG-CD1 3.96Å; Y191-F363 HydrophobicContact CG-CD1 3.96Å; Y191-F363 HydrophobicContact CG-CE1 4.37Å; Y191-F363 AromaticContact CZ-CD1 3.89Å |
| 192 | G | 80.1 | Confident | 91 | Very high | 53 Ų | 53 | 21.1 Ų | 21.1 | 55% | 0.546 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 42.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y188 | Y188-G192 PolarHBondContact O-N 3.1Š|
| 193 | F | 90.6 | Very high | 91.1 | Very high | 11 Ų | 11 | 19.5 Ų | 19.5 | 5% | 0.048 | 11% | 0.109 | C | C | . | . | trans | -71.1 | 136.5 | 177.1 | -75.1 | -86.7 | 0 | 0 | 0 | 111.6 | R58 L60 V107 L187 Y188 G195 F363 | R58-F193 HydrophobicContact CB-CD1 3.69Å; R58-F193 HydrophobicContact CB-CE1 3.93Å; R58-F193 CarbonylContact O-C 3.5Å; L60-F193 HydrophobicContact CB-CB 4.41Å; L60-F193 HydrophobicContact CB-CD1 3.83Å; L60-F193 HydrophobicContact CB-CD2 4.49Å; L60-F193 HydrophobicContact CB-CE1 4.2Å; L60-F193 HydrophobicContact CB-CG 3.99Å; L60-F193 HydrophobicContact CD1-CD1 4.39Å; L60-F193 HydrophobicContact CD1-CE1 3.95Å; L60-F193 HydrophobicContact CD1-CE2 4.04Å; L60-F193 HydrophobicContact CD1-CZ 3.76Å; L60-F193 HydrophobicContact CD2-CD2 4.48Å; V107-F193 HydrophobicContact CB-CE1 3.66Å; V107-F193 HydrophobicContact CB-CZ 3.86Å; V107-F193 HydrophobicContact CG1-CE1 4.31Å; V107-F193 HydrophobicContact CG1-CZ 4Å; V107-F193 HydrophobicContact CG2-CE1 3.51Å; V107-F193 HydrophobicContact CG2-CZ 3.76Å; L187-F193 VanDerWaalsContact O-CD2 3.25Å; L187-F193 WeakPolarHBondContact O-CD2 3.24Å; L187-F193 WeakPolarHBondContact O-CE2 3.28Å; Y188-F193 HydrophobicContact CD2-CB 3.75Å; Y188-F193 HydrophobicContact CE2-CB 4.23Å; Y188-F193 HydrophobicContact CG-CB 4.47Å; Y188-F193 PolarHBondContact O-N 3.1Å; Y188-F193 VanDerWaalsContact O-N 3.09Å; F193-G195 PolarHBondContact O-N 3.26Å; F193-F363 HydrophobicContact CZ-CE1 4.35Å | ||
| 194 | S | 91.3 | Very high | 91.1 | Very high | 59 Ų | 59 | 19.4 Ų | 19.4 | 41% | 0.413 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -77.9 | -5.9 | 178.3 | -41.3 | 0 | 0 | 0 | 0 | 113.1 | R58 A210 | R58-S194 PolarHBondContact N-OG 3.21Å; R58-S194 WeakPolarHBondContact O-CB 3.36Å; R58-S194 PolarHBondContact O-N 3.09Å; R58-S194 PolarHBondContact O-OG 2.95Å; S194-A210 VanDerWaalsContact O-CB 3.25Å; S194-A210 WeakPolarHBondContact O-CB 3.41Å |
| 195 | G | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.9 | 157.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L60 F193 A210 | L60-G195 PolarHBondContact N-O 2.91Å; F193-G195 PolarHBondContact O-N 3.26Å; G195-A210 VanDerWaalsContact CA-O 3.29Å; G195-A210 WeakPolarHBondContact CA-O 3.26Å |
| 196 | L | 97.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 121.4 | 173.3 | 173.3 | 61.2 | 0 | 0 | 0 | 109.1 | L60 V184 Y188 F203 V208 A210 Y211 F212 | L60-L196 HydrophobicContact CB-CD1 4.13Å; L60-L196 HydrophobicContact CD2-CD1 4.26Å; L60-L196 HydrophobicContact CG-CD1 4.24Å; L60-L196 CarbonylContact O-C 3.5Å; L60-L196 WeakPolarHBondContact O-CA 3.29Å; V184-L196 HydrophobicContact CG1-CD1 3.88Å; V184-L196 HydrophobicContact CG1-CD2 4.11Å; Y188-L196 HydrophobicContact CD2-CB 3.93Å; Y188-L196 HydrophobicContact CE2-CB 4.17Å; L196-F203 HydrophobicContact CD2-CB 4.12Å; L196-F203 HydrophobicContact CD2-CD1 4.16Å; L196-F203 HydrophobicContact CD2-CD2 4.16Å; L196-F203 HydrophobicContact CD2-CG 3.9Å; L196-V208 HydrophobicContact CB-CG1 4.09Å; L196-V208 HydrophobicContact CD2-CG1 4.33Å; L196-A210 PolarHBondContact N-O 3.37Å; L196-Y211 HydrophobicContact CB-CD2 4.26Å; L196-Y211 HydrophobicContact CD2-CD2 4.17Å; L196-Y211 HydrophobicContact CD2-CE2 4.31Å; L196-Y211 HydrophobicContact CG-CD2 4.07Å; L196-Y211 HydrophobicContact CG-CE2 4.21Å; L196-Y211 WeakPolarHBondContact O-CD2 3.28Å; L196-F212 PolarHBondContact O-N 3.37Å |
| 197 | I | 97.6 | Very high | 90.7 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.015 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 120.9 | 170.4 | -60.2 | 175.3 | 0 | 0 | 0 | 108.6 | L23 I59 L60 I61 D62 F212 L217 | L23-I197 HydrophobicContact CD1-CD1 3.66Å; L23-I197 HydrophobicContact CD1-CG1 4.36Å; I59-I197 HydrophobicContact CG2-CD1 3.7Å; I59-I197 HydrophobicContact CG2-CG1 3.81Å; L60-I197 PolarHBondContact O-N 3.46Å; I61-I197 WeakPolarHBondContact CA-O 3.39Å; I61-I197 HydrophobicContact CB-CB 4.5Å; I61-I197 HydrophobicContact CD1-CD1 4.25Å; I61-I197 HydrophobicContact CG1-CB 4.21Å; I61-I197 HydrophobicContact CG1-CD1 4.18Å; I61-I197 HydrophobicContact CG2-CB 4.28Å; I61-I197 HydrophobicContact CG2-CG2 4.33Å; D62-I197 PolarHBondContact N-O 3.22Å; I197-F212 WeakPolarHBondContact CA-O 3.36Å; I197-F212 HydrophobicContact CG1-CB 4.04Å; I197-F212 HydrophobicContact CG1-CD2 4.43Å; I197-L217 HydrophobicContact CD1-CD1 4.34Å |
| 198 | A | 96.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 177.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | D62 S65 F203 Y211 F212 S213 S214 | D62-A198 HydrophobicContact CB-CB 3.91Å; S65-A198 WeakPolarHBondContact OG-CB 3.5Å; A198-F203 HydrophobicContact CB-CD2 3.76Å; A198-F203 HydrophobicContact CB-CE2 4.01Å; A198-Y211 HydrophobicContact CB-CE2 3.77Å; A198-Y211 PolarHBondContact O-OH 3.47Å; A198-F212 PolarHBondContact N-O 2.88Å; A198-F212 VanDerWaalsContact N-O 3.07Å; A198-S213 CarbonylContact O-C 3.6Å; A198-S214 PolarHBondContact O-N 2.9Å |
| 199 | Q | 93.4 | Very high | 90.7 | Very high | 52 Ų | 52 | 24.4 Ų | 24.4 | 24% | 0.243 | 14% | 0.143 | C | C | . | . | trans | -130.6 | 51.8 | 166 | -160.8 | 69 | 33.4 | 0 | 0 | 110.5 | S65 S213 S214 H215 Y231 | S65-Q199 PolarHBondContact OG-N 3.21Å; Q199-S213 PolarHBondContact OE1-OG 2.78Å; Q199-S214 WeakPolarHBondContact CB-OG 3.47Å; Q199-H215 HydrophobicContact CG-CB 4.06Å; Q199-Y231 PolarHBondContact NE2-OH 3.35Å | ||
| 200 | D | 92.8 | Very high | 91 | Very high | 12 Ų | 12 | 21.7 Ų | 21.7 | 6% | 0.064 | 14% | 0.137 | C | C | . | . | trans | -115.6 | 136.7 | 167 | -159.7 | -45 | 0 | 0 | 0 | 110.2 | Q4 Q7 H181 E202 F203 Y211 | Q4-D200 PolarHBondContact NE2-OD1 3.4Å; Q7-D200 PolarHBondContact OE1-O 3.09Å; H181-D200 IonicContact CD2-OD2 3.36Å; H181-D200 IonicContact CE1-OD2 3.04Å; H181-D200 IonicContact NE2-OD2 2.68Å; H181-D200 PolarHBondContact NE2-OD2 2.99Å; D200-E202 VanDerWaalsContact C-N 3.35Å; D200-E202 WeakPolarHBondContact OD1-CB 3.41Å; D200-E202 PolarHBondContact OD1-N 2.86Å; D200-F203 HydrophobicContact CB-CD2 3.75Å; D200-F203 HydrophobicContact CB-CE2 3.96Å; D200-Y211 PolarHBondContact N-OH 2.91Å; D200-Y211 VanDerWaalsContact N-OH 3.13Å; D200-Y211 PolarHBondContact O-OH 3.32Å | ||
| 201 | S | 91.8 | Very high | 91.6 | Very high | 3 Ų | 3 | 20.6 Ų | 20.6 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -81.4 | -13.5 | 178.9 | -67.8 | 0 | 0 | 0 | 0 | 113.5 | V3 Q7 A204 L205 | V3-S201 WeakPolarHBondContact O-CB 3.28Å; Q7-S201 WeakPolarHBondContact CB-OG 3.37Å; Q7-S201 WeakPolarHBondContact CG-OG 3.43Å; Q7-S201 PolarHBondContact N-OG 2.88Å; Q7-S201 PolarHBondContact OE1-OG 2.88Å; S201-A204 WeakPolarHBondContact O-CB 3.24Å; S201-A204 PolarHBondContact O-N 3.33Å; S201-L205 PolarHBondContact O-N 3.15Å |
| 202 | E | 92.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 2% | 0.019 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.8 | -47 | 172.5 | -152.3 | 172.7 | 92.6 | 0 | 0 | 109.8 | V3 R118 H181 D200 A204 L205 C206 H257 Y341 F342 | V3-E202 HydrophobicContact CG1-CB 4.14Å; V3-E202 HydrophobicContact CG1-CG 4.43Å; R118-E202 IonicContact CZ-OE1 3.24Å; R118-E202 IonicContact CZ-OE2 3.21Å; R118-E202 IonicContact NH1-OE1 3.81Å; R118-E202 PolarHBondContact NH1-OE1 3.24Å; R118-E202 IonicContact NH1-OE2 2.78Å; R118-E202 PolarHBondContact NH1-OE2 3.48Å; R118-E202 IonicContact NH2-OE1 2.71Å; R118-E202 PolarHBondContact NH2-OE1 3.28Å; R118-E202 IonicContact NH2-OE2 3.32Å; H181-E202 WeakPolarHBondContact CB-OE1 3.44Å; H181-E202 IonicContact CD2-OE1 3.95Å; H181-E202 PolarHBondContact CD2-OE1 3.35Å; H181-E202 VanDerWaalsContact CD2-OE1 3.32Å; H181-E202 IonicContact CG-OE1 2.72Å; D200-E202 VanDerWaalsContact C-N 3.35Å; D200-E202 WeakPolarHBondContact OD1-CB 3.41Å; D200-E202 PolarHBondContact OD1-N 2.86Å; E202-A204 VanDerWaalsContact C-N 3.26Å; E202-A204 PolarHBondContact O-N 2.97Å; E202-L205 PolarHBondContact O-N 3.31Å; E202-L205 VanDerWaalsContact O-N 3.1Å; E202-C206 PolarHBondContact O-N 2.99Å; E202-C206 VanDerWaalsContact O-N 3.17Å; E202-C206 PolarHBondContact O-SG 3.43Å; E202-H257 IonicContact OE1-CE1 3.89Å; E202-H257 IonicContact OE2-CE1 2.9Å; E202-H257 PolarHBondContact OE2-CE1 2.68Å; E202-H257 IonicContact OE2-ND1 3.86Å; E202-H257 PolarHBondContact OE2-ND1 3.13Å; E202-Y341 PolarHBondContact OE1-OH 2.89Å; E202-F342 HydrophobicContact CG-CE1 3.71Å; E202-F342 HydrophobicContact CG-CZ 4.01Å |
| 203 | F | 93.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.1 | -31.7 | 173.9 | -57.7 | -46.1 | 0 | 0 | 0 | 113.5 | D62 H181 V184 L185 L196 A198 D200 L205 C206 Y211 | D62-F203 HydrophobicContact CB-CE2 4.38Å; H181-F203 HydrophobicContact CB-CE1 3.93Å; H181-F203 HydrophobicContact CB-CZ 4.33Å; H181-F203 AromaticContact CD2-CE1 3.75Å; H181-F203 AromaticContact CD2-CZ 3.63Å; V184-F203 HydrophobicContact CB-CE1 4.06Å; V184-F203 HydrophobicContact CB-CZ 3.97Å; V184-F203 HydrophobicContact CG1-CE1 3.79Å; V184-F203 HydrophobicContact CG1-CE2 4.39Å; V184-F203 HydrophobicContact CG1-CZ 3.67Å; V184-F203 HydrophobicContact CG2-CZ 4.42Å; L185-F203 HydrophobicContact CD1-CD1 4.34Å; L185-F203 HydrophobicContact CD2-CD1 3.95Å; L185-F203 HydrophobicContact CG-CD1 3.98Å; L185-F203 HydrophobicContact CG-CE1 4.11Å; L196-F203 HydrophobicContact CD2-CB 4.12Å; L196-F203 HydrophobicContact CD2-CD1 4.16Å; L196-F203 HydrophobicContact CD2-CD2 4.16Å; L196-F203 HydrophobicContact CD2-CG 3.9Å; A198-F203 HydrophobicContact CB-CD2 3.76Å; A198-F203 HydrophobicContact CB-CE2 4.01Å; D200-F203 HydrophobicContact CB-CD2 3.75Å; D200-F203 HydrophobicContact CB-CE2 3.96Å; F203-L205 VanDerWaalsContact C-N 3.25Å; F203-L205 PolarHBondContact O-N 3.45Å; F203-C206 PolarHBondContact O-N 3.03Å; F203-Y211 HydrophobicContact CB-CD2 4.3Å; F203-Y211 HydrophobicContact CB-CE1 4.36Å; F203-Y211 HydrophobicContact CB-CE2 3.9Å; F203-Y211 HydrophobicContact CD2-CE2 4.44Å |
| 204 | A | 92.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 15.9 Ų | 15.9 | 4% | 0.041 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.3 | -25.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F6 Q7 S201 E202 Y211 L233 | F6-A204 HydrophobicContact CD1-CB 4.02Å; F6-A204 HydrophobicContact CE1-CB 4.41Å; Q7-A204 HydrophobicContact CG-CB 4.02Å; S201-A204 WeakPolarHBondContact O-CB 3.24Å; S201-A204 PolarHBondContact O-N 3.33Å; E202-A204 VanDerWaalsContact C-N 3.26Å; E202-A204 PolarHBondContact O-N 2.97Å; A204-Y211 HydrophobicContact CB-CD1 3.97Å; A204-Y211 HydrophobicContact CB-CE1 3.74Å; A204-L233 WeakPolarHBondContact O-CD1 3.35Å; A204-L233 WeakPolarHBondContact O-CD2 3.49Å |
| 205 | L | 91.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -94.2 | -25.2 | 178.6 | -70 | 168.6 | 0 | 0 | 0 | 113 | V3 F6 S201 E202 F203 N207 L233 F250 A251 L254 | V3-L205 HydrophobicContact CB-CD1 4.21Å; V3-L205 HydrophobicContact CG1-CD1 3.86Å; V3-L205 HydrophobicContact CG2-CD1 3.73Å; F6-L205 HydrophobicContact CD1-CD1 4.48Å; F6-L205 HydrophobicContact CD1-CD2 3.63Å; F6-L205 HydrophobicContact CD1-CG 3.78Å; F6-L205 HydrophobicContact CD2-CD2 4.09Å; F6-L205 HydrophobicContact CE1-CD2 3.43Å; F6-L205 VanDerWaalsContact CE1-CD2 3.43Å; F6-L205 HydrophobicContact CE1-CG 4Å; F6-L205 HydrophobicContact CE2-CD2 3.92Å; F6-L205 HydrophobicContact CG-CD1 4.44Å; F6-L205 HydrophobicContact CG-CD2 3.96Å; F6-L205 HydrophobicContact CG-CG 4.19Å; F6-L205 HydrophobicContact CZ-CD2 3.58Å; S201-L205 PolarHBondContact O-N 3.15Å; E202-L205 PolarHBondContact O-N 3.31Å; E202-L205 VanDerWaalsContact O-N 3.1Å; F203-L205 VanDerWaalsContact C-N 3.25Å; F203-L205 PolarHBondContact O-N 3.45Å; L205-N207 PolarHBondContact O-N 3.44Å; L205-L233 HydrophobicContact CD2-CD1 4.39Å; L205-L233 WeakPolarHBondContact O-CD2 3.22Å; L205-F250 HydrophobicContact CD2-CD1 4.11Å; L205-F250 HydrophobicContact CD2-CE1 3.87Å; L205-A251 HydrophobicContact CB-CB 4.17Å; L205-A251 HydrophobicContact CD1-CB 3.88Å; L205-A251 HydrophobicContact CG-CB 4.47Å; L205-L254 HydrophobicContact CD1-CD1 4.02Å |
| 206 | C | 89.6 | Confident | 93.2 | Very high | 4 Ų | 4 | 17.6 Ų | 17.6 | 3% | 0.027 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 25.2 | -179.1 | -64.8 | 0 | 0 | 0 | 0 | 114.9 | L185 E202 F203 V208 A345 | L185-C206 HydrophobicContact CD1-CB 3.9Å; L185-C206 HydrophobicContact CD2-CB 4.14Å; E202-C206 PolarHBondContact O-N 2.99Å; E202-C206 VanDerWaalsContact O-N 3.17Å; E202-C206 PolarHBondContact O-SG 3.43Å; F203-C206 PolarHBondContact O-N 3.03Å; C206-V208 VanDerWaalsContact C-N 3.29Å; C206-V208 PolarHBondContact O-N 2.95Å; C206-A345 HydrophobicContact CB-CB 3.91Å; C206-A345 WeakPolarHBondContact SG-CB 3.41Å |
| 207 | N | 84.8 | Confident | 93.1 | Very high | 63 Ų | 63 | 17.8 Ų | 17.8 | 34% | 0.337 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 36.9 | 174.4 | -167.1 | 45.4 | 0 | 0 | 0 | 115.3 | L205 P209 L233 | L205-N207 PolarHBondContact O-N 3.44Å; N207-P209 WeakPolarHBondContact O-CD 3.44Å; N207-L233 HydrophobicContact CB-CD2 4.17Å |
| 208 | V | 91.3 | Very high | 92.9 | Very high | 11 Ų | 11 | 22.6 Ų | 22.6 | 7% | 0.067 | 12% | 0.121 | C | C | . | . | trans | -75 | 109.2 | 174.9 | 178.4 | 0 | 0 | 0 | 0 | 109.3 | L185 Y188 L196 C206 A210 Y211 | L185-V208 HydrophobicContact CD2-CG2 3.44Å; L185-V208 VanDerWaalsContact CD2-CG2 3.44Å; Y188-V208 HydrophobicContact CD1-CG1 4.42Å; Y188-V208 HydrophobicContact CE1-CG1 3.94Å; Y188-V208 HydrophobicContact CE2-CG1 4.07Å; L196-V208 HydrophobicContact CB-CG1 4.09Å; L196-V208 HydrophobicContact CD2-CG1 4.33Å; C206-V208 VanDerWaalsContact C-N 3.29Å; C206-V208 PolarHBondContact O-N 2.95Å; V208-A210 PolarHBondContact O-N 3.41Å; V208-Y211 WeakPolarHBondContact O-CB 3.27Å; V208-Y211 PolarHBondContact O-N 3.5Å | ||
| 209 | P | 89.1 | Confident | 92.7 | Very high | 89 Ų | 89 | 24.3 Ų | 24.3 | 58% | 0.578 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -32.2 | -166.9 | -23 | 35.9 | 0 | 0 | 0 | 114.4 | N207 Q230 | N207-P209 WeakPolarHBondContact O-CD 3.44Å; P209-Q230 PolarHBondContact O-NE2 3.39Å |
| 210 | A | 93.9 | Very high | 92.6 | Very high | 16 Ų | 16 | 23.3 Ų | 23.3 | 13% | 0.132 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 54.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S194 G195 L196 V208 F212 | S194-A210 VanDerWaalsContact O-CB 3.25Å; S194-A210 WeakPolarHBondContact O-CB 3.41Å; G195-A210 VanDerWaalsContact CA-O 3.29Å; G195-A210 WeakPolarHBondContact CA-O 3.26Å; L196-A210 PolarHBondContact N-O 3.37Å; V208-A210 PolarHBondContact O-N 3.41Å; A210-F212 HydrophobicContact CB-CE2 4.07Å; A210-F212 HydrophobicContact CB-CZ 4.11Å; A210-F212 WeakPolarHBondContact O-CD2 3.32Å; A210-F212 WeakPolarHBondContact O-CE2 3.48Å |
| 211 | Y | 96.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 124.4 | 175.4 | -172.9 | -132.7 | 0 | 0 | 0 | 111.4 | Q7 L196 A198 D200 F203 A204 V208 Q230 Y231 | Q7-Y211 PolarHBondContact NE2-OH 2.96Å; L196-Y211 HydrophobicContact CB-CD2 4.26Å; L196-Y211 HydrophobicContact CD2-CD2 4.17Å; L196-Y211 HydrophobicContact CD2-CE2 4.31Å; L196-Y211 HydrophobicContact CG-CD2 4.07Å; L196-Y211 HydrophobicContact CG-CE2 4.21Å; L196-Y211 WeakPolarHBondContact O-CD2 3.28Å; A198-Y211 HydrophobicContact CB-CE2 3.77Å; A198-Y211 PolarHBondContact O-OH 3.47Å; D200-Y211 PolarHBondContact N-OH 2.91Å; D200-Y211 VanDerWaalsContact N-OH 3.13Å; D200-Y211 PolarHBondContact O-OH 3.32Å; F203-Y211 HydrophobicContact CB-CD2 4.3Å; F203-Y211 HydrophobicContact CB-CE1 4.36Å; F203-Y211 HydrophobicContact CB-CE2 3.9Å; F203-Y211 HydrophobicContact CD2-CE2 4.44Å; A204-Y211 HydrophobicContact CB-CD1 3.97Å; A204-Y211 HydrophobicContact CB-CE1 3.74Å; V208-Y211 WeakPolarHBondContact O-CB 3.27Å; V208-Y211 PolarHBondContact O-N 3.5Å; Y211-Q230 CarbonylContact O-C 3.51Å; Y211-Q230 WeakPolarHBondContact O-CA 3.43Å; Y211-Q230 WeakPolarHBondContact O-CG 3.25Å; Y211-Y231 AromaticContact CD1-CD2 3.56Å; Y211-Y231 HydrophobicContact CD1-CD2 3.56Å; Y211-Y231 HydrophobicContact CD1-CE2 4.42Å; Y211-Y231 HydrophobicContact CD1-CG 4.23Å; Y211-Y231 AromaticContact CE1-CD2 3.68Å; Y211-Y231 HydrophobicContact CE1-CD2 3.68Å; Y211-Y231 HydrophobicContact CE1-CE2 4.11Å; Y211-Y231 HydrophobicContact CG-CD2 4.39Å; Y211-Y231 PolarHBondContact O-N 2.82Å |
| 212 | F | 97.3 | Very high | 92 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 139.6 | -174.1 | -59.1 | -62 | 0 | 0 | 0 | 111 | V21 L23 L26 I59 L196 I197 A198 A210 T228 H229 Q230 | V21-F212 HydrophobicContact CG2-CD1 3.9Å; V21-F212 HydrophobicContact CG2-CE1 3.85Å; L23-F212 HydrophobicContact CD2-CD1 3.91Å; L23-F212 HydrophobicContact CD2-CD2 3.87Å; L23-F212 HydrophobicContact CD2-CE1 3.83Å; L23-F212 HydrophobicContact CD2-CE2 3.76Å; L23-F212 HydrophobicContact CD2-CG 3.95Å; L23-F212 HydrophobicContact CD2-CZ 3.76Å; L26-F212 HydrophobicContact CD1-CE1 4.24Å; L26-F212 HydrophobicContact CD1-CZ 4.07Å; I59-F212 HydrophobicContact CD1-CE2 4.22Å; L196-F212 PolarHBondContact O-N 3.37Å; I197-F212 WeakPolarHBondContact CA-O 3.36Å; I197-F212 HydrophobicContact CG1-CB 4.04Å; I197-F212 HydrophobicContact CG1-CD2 4.43Å; A198-F212 PolarHBondContact N-O 2.88Å; A198-F212 VanDerWaalsContact N-O 3.07Å; A210-F212 HydrophobicContact CB-CE2 4.07Å; A210-F212 HydrophobicContact CB-CZ 4.11Å; A210-F212 WeakPolarHBondContact O-CD2 3.32Å; A210-F212 WeakPolarHBondContact O-CE2 3.48Å; F212-T228 HydrophobicContact CB-CG2 3.95Å; F212-T228 HydrophobicContact CD1-CG2 4.24Å; F212-T228 HydrophobicContact CG-CG2 4.33Å; F212-H229 CarbonylContact C-O 3.51Å; F212-H229 WeakPolarHBondContact CA-O 3.35Å; F212-Q230 HydrophobicContact CD1-CB 3.7Å; F212-Q230 HydrophobicContact CD1-CG 3.89Å; F212-Q230 HydrophobicContact CE1-CB 3.69Å; F212-Q230 HydrophobicContact CE1-CG 3.66Å |
| 213 | S | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 133.5 | 173.2 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | A198 Q199 H215 A216 T228 H229 Y231 | A198-S213 CarbonylContact O-C 3.6Å; Q199-S213 PolarHBondContact OE1-OG 2.78Å; S213-H215 PolarHBondContact OG-N 2.77Å; S213-A216 PolarHBondContact OG-N 3.29Å; S213-T228 PolarHBondContact O-OG1 3.02Å; S213-H229 PolarHBondContact N-O 2.98Å; S213-Y231 WeakPolarHBondContact CB-OH 3.43Å; S213-Y231 PolarHBondContact OG-OH 2.74Å |
| 214 | S | 94.9 | Very high | 91.7 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -77 | -36.9 | 159.9 | 82.2 | 0 | 0 | 0 | 0 | 110.2 | S65 S66 R69 A198 Q199 A216 L217 | S65-S214 PolarHBondContact O-OG 3.24Å; S66-S214 WeakPolarHBondContact OG-CB 3.46Å; S66-S214 PolarHBondContact OG-OG 2.92Å; R69-S214 VanDerWaalsContact CG-O 3.28Å; R69-S214 WeakPolarHBondContact CG-O 3.18Å; A198-S214 PolarHBondContact O-N 2.9Å; Q199-S214 WeakPolarHBondContact CB-OG 3.47Å; S214-A216 VanDerWaalsContact C-N 3.3Å; S214-A216 PolarHBondContact O-N 3.3Å; S214-L217 WeakPolarHBondContact O-CB 3.36Å; S214-L217 PolarHBondContact O-N 3.12Å |
| 215 | H | 91.4 | Very high | 91.7 | Very high | 85 Ų | 85 | 45.7 Ų | 45.7 | 39% | 0.394 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -29.7 | -177.4 | -168.7 | 88 | 0 | 0 | 0 | 114 | R69 Y74 Q199 S213 | R69-H215 PolarHBondContact NE-O 3.08Å; R69-H215 PolarHBondContact NH2-CE1 3.21Å; R69-H215 PolarHBondContact NH2-NE2 2.84Å; R69-H215 VanDerWaalsContact NH2-NE2 3.12Å; R69-H215 PolarHBondContact NH2-O 2.77Å; Y74-H215 PolarHBondContact OH-O 2.99Å; Q199-H215 HydrophobicContact CG-CB 4.06Å; S213-H215 PolarHBondContact OG-N 2.77Å |
| 216 | A | 93.3 | Very high | 91.9 | Very high | 10 Ų | 10 | 45.7 Ų | 45.7 | 8% | 0.083 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -2.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S213 S214 K218 H229 | S213-A216 PolarHBondContact OG-N 3.29Å; S214-A216 VanDerWaalsContact C-N 3.3Å; S214-A216 PolarHBondContact O-N 3.3Å; A216-K218 PolarHBondContact O-N 3.39Å; A216-H229 HydrophobicContact CB-CB 4.25Å |
| 217 | L | 93.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | trans | -65.7 | 122.5 | -172.4 | -166.7 | 70.5 | 0 | 0 | 0 | 112.5 | L23 I197 S214 L226 T227 T228 | L23-L217 HydrophobicContact CD1-CD1 4.07Å; I197-L217 HydrophobicContact CD1-CD1 4.34Å; S214-L217 WeakPolarHBondContact O-CB 3.36Å; S214-L217 PolarHBondContact O-N 3.12Å; L217-L226 HydrophobicContact CD1-CD1 3.75Å; L217-L226 HydrophobicContact CD1-CD2 4.34Å; L217-L226 HydrophobicContact CD1-CG 3.88Å; L217-L226 HydrophobicContact CG-CD1 4.01Å; L217-T227 CarbonylContact C-O 3.57Å; L217-T227 WeakPolarHBondContact CA-O 3.25Å; L217-T228 HydrophobicContact CD1-CG2 4.35Å | ||
| 218 | K | 93.7 | Very high | 92.8 | Very high | 105 Ų | 105 | 45.4 Ų | 45.4 | 46% | 0.457 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 117.4 | -179.2 | -69.2 | 166.3 | -172.8 | 169.9 | 0 | 110.6 | Y74 A216 L226 T227 | Y74-K218 HydrophobicContact CD2-CG 4.16Å; Y74-K218 HydrophobicContact CE2-CD 4.27Å; Y74-K218 HydrophobicContact CE2-CG 3.44Å; Y74-K218 VanDerWaalsContact CE2-CG 3.44Å; Y74-K218 WeakPolarHBondContact OH-CE 3.36Å; A216-K218 PolarHBondContact O-N 3.39Å; K218-L226 CarbonylContact O-C 3.58Å; K218-L226 WeakPolarHBondContact O-CA 3.42Å; K218-T227 PolarHBondContact N-O 3.48Å; K218-T227 PolarHBondContact O-N 3.27Å |
| 219 | L | 93 | Very high | 93 | Very high | 36 Ų | 36 | 48 Ų | 48 | 19% | 0.188 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 128.9 | 165.1 | -174.9 | 65.7 | 0 | 0 | 0 | 109 | Y90 A93 L94 A97 L226 | Y90-L219 HydrophobicContact CE2-CB 4.34Å; A93-L219 HydrophobicContact CB-CD2 3.76Å; L94-L219 HydrophobicContact CB-CD2 4.46Å; A97-L219 HydrophobicContact CB-CD1 3.61Å; L219-L226 HydrophobicContact CB-CD1 4.07Å; L219-L226 HydrophobicContact CD1-CD1 4.13Å |
| 220 | S | 91.9 | Very high | 93.4 | Very high | 31 Ų | 31 | 45.7 Ų | 45.7 | 22% | 0.217 | 22% | 0.22 | C | C | . | . | trans | -70.6 | 143.8 | 170.8 | 59.4 | 0 | 0 | 0 | 0 | 110.8 | N222 G223 K224 N225 | S220-N222 PolarHBondContact O-N 2.87Å; S220-N222 PolarHBondContact OG-OD1 3.45Å; S220-G223 WeakPolarHBondContact O-CA 3.34Å; S220-G223 PolarHBondContact O-N 3.37Å; S220-K224 PolarHBondContact OG-N 3.1Å; S220-N225 PolarHBondContact N-O 2.9Å; S220-N225 PolarHBondContact OG-N 3.43Å; S220-N225 PolarHBondContact OG-ND2 2.97Å; S220-N225 PolarHBondContact OG-O 3.35Å | ||
| 221 | W | 84.9 | Confident | 93.5 | Very high | 245 Ų | 245 | 45.2 Ų | 45.2 | 93% | 0.928 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -34.7 | -174.8 | 78.2 | -95.8 | 0 | 0 | 0 | 114.9 | G223 | W221-G223 VanDerWaalsContact C-N 3.35Š|
| 222 | N | 87.8 | Confident | 93.5 | Very high | 66 Ų | 66 | 47.5 Ų | 47.5 | 35% | 0.353 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 10 | 179.9 | 64.7 | 15 | 0 | 0 | 0 | 114.5 | S220 K224 | S220-N222 PolarHBondContact O-N 2.87Å; S220-N222 PolarHBondContact OG-OD1 3.45Å; N222-K224 PolarHBondContact O-N 3.01Å; N222-K224 VanDerWaalsContact O-N 3.13Å; N222-K224 WeakPolarHBondContact OD1-CB 3.39Å; N222-K224 PolarHBondContact OD1-N 2.96Å |
| 223 | G | 88.6 | Confident | 93.3 | Very high | 14 Ų | 14 | 47.9 Ų | 47.9 | 14% | 0.144 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 69.8 | -0.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | L24 A97 S220 W221 | L24-G223 WeakPolarHBondContact CD1-O 3.4Å; A97-G223 WeakPolarHBondContact CB-O 3.46Å; S220-G223 WeakPolarHBondContact O-CA 3.34Å; S220-G223 PolarHBondContact O-N 3.37Å; W221-G223 VanDerWaalsContact C-N 3.35Å |
| 224 | K | 90.6 | Very high | 93.2 | Very high | 118 Ų | 118 | 52.1 Ų | 52.1 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -81.1 | -17 | -168.3 | -64 | -175.7 | -179.9 | -178.4 | 0 | 115.6 | R28 S220 N222 | R28-K224 PolarHBondContact NH2-O 2.69Å; S220-K224 PolarHBondContact OG-N 3.1Å; N222-K224 PolarHBondContact O-N 3.01Å; N222-K224 VanDerWaalsContact O-N 3.13Å; N222-K224 WeakPolarHBondContact OD1-CB 3.39Å; N222-K224 PolarHBondContact OD1-N 2.96Å |
| 225 | N | 93 | Very high | 93.2 | Very high | 51 Ų | 51 | 54.2 Ų | 54.2 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | trans | -136.3 | 136.1 | -178 | -44.4 | -96.4 | 0 | 0 | 0 | 109.5 | D22 K25 S220 T227 | D22-N225 WeakPolarHBondContact OD2-CA 3.34Å; D22-N225 VanDerWaalsContact OD2-CB 3.29Å; D22-N225 WeakPolarHBondContact OD2-CB 3.38Å; D22-N225 PolarHBondContact OD2-OD1 3.22Å; K25-N225 PolarHBondContact NZ-OD1 3.16Å; S220-N225 PolarHBondContact N-O 2.9Å; S220-N225 PolarHBondContact OG-N 3.43Å; S220-N225 PolarHBondContact OG-ND2 2.97Å; S220-N225 PolarHBondContact OG-O 3.35Å; N225-T227 HydrophobicContact CB-CG2 4.41Å | ||
| 226 | L | 95.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 91.9 | 170.6 | -177.6 | 62.1 | 0 | 0 | 0 | 108.1 | D22 L23 L24 L94 L217 K218 L219 | D22-L226 WeakPolarHBondContact CA-O 3.46Å; D22-L226 PolarHBondContact OD1-N 3.15Å; D22-L226 VanDerWaalsContact OD1-N 3.07Å; L23-L226 HydrophobicContact CB-CB 4.5Å; L23-L226 HydrophobicContact CB-CD2 4.41Å; L23-L226 HydrophobicContact CD1-CD2 4.09Å; L23-L226 HydrophobicContact CD1-CG 4.28Å; L23-L226 PolarHBondContact N-O 3.49Å; L24-L226 HydrophobicContact CD1-CB 4.08Å; L24-L226 HydrophobicContact CD2-CB 4.09Å; L24-L226 HydrophobicContact CD2-CD2 4.46Å; L24-L226 HydrophobicContact CG-CB 3.71Å; L94-L226 HydrophobicContact CD1-CD1 3.75Å; L94-L226 HydrophobicContact CD1-CD2 3.8Å; L94-L226 HydrophobicContact CD1-CG 4.46Å; L217-L226 HydrophobicContact CD1-CD1 3.75Å; L217-L226 HydrophobicContact CD1-CD2 4.34Å; L217-L226 HydrophobicContact CD1-CG 3.88Å; L217-L226 HydrophobicContact CG-CD1 4.01Å; K218-L226 CarbonylContact O-C 3.58Å; K218-L226 WeakPolarHBondContact O-CA 3.42Å; L219-L226 HydrophobicContact CB-CD1 4.07Å; L219-L226 HydrophobicContact CD1-CD1 4.13Å |
| 227 | T | 96.1 | Very high | 93.4 | Very high | 56 Ų | 56 | 50 Ų | 50 | 34% | 0.344 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 145.9 | -172.3 | 58.2 | 0 | 0 | 0 | 0 | 112.4 | V21 D22 L217 K218 N225 | V21-T227 CarbonylContact O-C 3.56Å; V21-T227 WeakPolarHBondContact O-CA 3.22Å; D22-T227 HydrophobicContact CB-CG2 4.13Å; L217-T227 CarbonylContact C-O 3.57Å; L217-T227 WeakPolarHBondContact CA-O 3.25Å; K218-T227 PolarHBondContact N-O 3.48Å; K218-T227 PolarHBondContact O-N 3.27Å; N225-T227 HydrophobicContact CB-CG2 4.41Å |
| 228 | T | 96.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 57.5 Ų | 57.5 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | -174.3 | 172.1 | -169.4 | 0 | 0 | 0 | 0 | 110.2 | P20 V21 L23 F212 S213 L217 | P20-T228 WeakPolarHBondContact CA-O 3.44Å; V21-T228 HydrophobicContact CG2-CG2 3.89Å; V21-T228 WeakPolarHBondContact CG2-O 3.18Å; V21-T228 PolarHBondContact N-O 2.92Å; V21-T228 PolarHBondContact O-N 2.89Å; L23-T228 HydrophobicContact CD1-CG2 4.1Å; L23-T228 HydrophobicContact CD2-CG2 4.07Å; L23-T228 HydrophobicContact CG-CG2 4.11Å; F212-T228 HydrophobicContact CB-CG2 3.95Å; F212-T228 HydrophobicContact CD1-CG2 4.24Å; F212-T228 HydrophobicContact CG-CG2 4.33Å; S213-T228 PolarHBondContact O-OG1 3.02Å; L217-T228 HydrophobicContact CD1-CG2 4.35Å |
| 229 | H | 96.3 | Very high | 93.5 | Very high | 67 Ų | 67 | 56 Ų | 56 | 31% | 0.31 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 136.8 | 168 | -57.6 | 153 | 0 | 0 | 0 | 110.8 | V19 F212 S213 A216 | V19-H229 CarbonylContact O-C 3.58Å; V19-H229 VanDerWaalsContact O-CA 3.3Å; V19-H229 WeakPolarHBondContact O-CA 3.27Å; F212-H229 CarbonylContact C-O 3.51Å; F212-H229 WeakPolarHBondContact CA-O 3.35Å; S213-H229 PolarHBondContact N-O 2.98Å; A216-H229 HydrophobicContact CB-CB 4.25Å |
| 230 | Q | 96.8 | Very high | 93.7 | Very high | 40 Ų | 40 | 54.9 Ų | 54.9 | 19% | 0.187 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 136.4 | 161.8 | -170.8 | 175.5 | -11.3 | 0 | 0 | 109.4 | A18 V19 V21 P209 Y211 F212 L232 | A18-Q230 WeakPolarHBondContact CA-O 3.21Å; V19-Q230 PolarHBondContact N-O 2.91Å; V19-Q230 PolarHBondContact O-N 2.58Å; V21-Q230 HydrophobicContact CG1-CB 3.99Å; V21-Q230 HydrophobicContact CG2-CB 4.31Å; P209-Q230 PolarHBondContact O-NE2 3.39Å; Y211-Q230 CarbonylContact O-C 3.51Å; Y211-Q230 WeakPolarHBondContact O-CA 3.43Å; Y211-Q230 WeakPolarHBondContact O-CG 3.25Å; F212-Q230 HydrophobicContact CD1-CB 3.7Å; F212-Q230 HydrophobicContact CD1-CG 3.89Å; F212-Q230 HydrophobicContact CE1-CB 3.69Å; F212-Q230 HydrophobicContact CE1-CG 3.66Å; Q230-L232 HydrophobicContact CG-CD2 4.06Å |
| 231 | Y | 96.5 | Very high | 93.9 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 2% | 0.02 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 126.5 | 173.4 | -60.1 | -74.3 | 0 | 0 | 0 | 110.3 | Q7 L10 E11 A17 A18 Q199 Y211 S213 | Q7-Y231 HydrophobicContact CB-CE1 4.46Å; Q7-Y231 HydrophobicContact CG-CE1 4.42Å; Q7-Y231 HydrophobicContact CG-CE2 4.28Å; L10-Y231 HydrophobicContact CB-CD1 4.35Å; L10-Y231 HydrophobicContact CD1-CD1 3.81Å; L10-Y231 HydrophobicContact CD1-CG 4.24Å; E11-Y231 HydrophobicContact CG-CE1 3.98Å; E11-Y231 WeakPolarHBondContact OE1-CE1 3.32Å; E11-Y231 PolarHBondContact OE1-OH 3.44Å; A17-Y231 CarbonylContact O-C 3.53Å; A17-Y231 WeakPolarHBondContact O-CA 3.23Å; A18-Y231 HydrophobicContact CB-CD1 4.25Å; A18-Y231 HydrophobicContact CB-CE1 4.37Å; Q199-Y231 PolarHBondContact NE2-OH 3.35Å; Y211-Y231 AromaticContact CD1-CD2 3.56Å; Y211-Y231 HydrophobicContact CD1-CD2 3.56Å; Y211-Y231 HydrophobicContact CD1-CE2 4.42Å; Y211-Y231 HydrophobicContact CD1-CG 4.23Å; Y211-Y231 AromaticContact CE1-CD2 3.68Å; Y211-Y231 HydrophobicContact CE1-CD2 3.68Å; Y211-Y231 HydrophobicContact CE1-CE2 4.11Å; Y211-Y231 HydrophobicContact CG-CD2 4.39Å; Y211-Y231 PolarHBondContact O-N 2.82Å; S213-Y231 WeakPolarHBondContact CB-OH 3.43Å; S213-Y231 PolarHBondContact OG-OH 2.74Å |
| 232 | L | 95.1 | Very high | 94.4 | Very high | 51 Ų | 51 | 44.6 Ų | 44.6 | 27% | 0.267 | 24% | 0.238 | S | C | . | . | trans | -107 | 88.6 | -177.5 | -59 | -176.6 | 0 | 0 | 0 | 110.3 | A17 V19 Q230 S234 E235 A236 | A17-L232 PolarHBondContact O-N 3.44Å; V19-L232 HydrophobicContact CG2-CD1 3.65Å; V19-L232 HydrophobicContact CG2-CG 4.26Å; Q230-L232 HydrophobicContact CG-CD2 4.06Å; L232-S234 PolarHBondContact O-N 2.92Å; L232-E235 HydrophobicContact CB-CB 4.12Å; L232-E235 PolarHBondContact O-N 2.92Å; L232-E235 VanDerWaalsContact O-N 3.08Å; L232-A236 PolarHBondContact O-N 3.4Å; L232-A236 VanDerWaalsContact O-N 3.08Å | ||
| 233 | L | 93.9 | Very high | 94.6 | Very high | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.068 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.1 | -30.7 | -179.4 | -177.9 | 60.9 | 0 | 0 | 0 | 113 | F6 A204 L205 N207 A236 A237 L247 | F6-L233 HydrophobicContact CE1-CD1 3.88Å; F6-L233 HydrophobicContact CZ-CD1 3.91Å; A204-L233 WeakPolarHBondContact O-CD1 3.35Å; A204-L233 WeakPolarHBondContact O-CD2 3.49Å; L205-L233 HydrophobicContact CD2-CD1 4.39Å; L205-L233 WeakPolarHBondContact O-CD2 3.22Å; N207-L233 HydrophobicContact CB-CD2 4.17Å; L233-A236 PolarHBondContact O-N 3.48Å; L233-A237 VanDerWaalsContact O-CB 3.22Å; L233-A237 WeakPolarHBondContact O-CB 3.43Å; L233-A237 PolarHBondContact O-N 3.42Å; L233-L247 HydrophobicContact CD1-CD2 4.29Å; L233-L247 HydrophobicContact CD2-CD1 3.82Å; L233-L247 HydrophobicContact CG-CD1 4.17Å; L233-L247 HydrophobicContact CG-CD2 4.49Å |
| 234 | S | 93.1 | Very high | 94.6 | Very high | 90 Ų | 90 | 52 Ų | 52 | 63% | 0.629 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.8 | -41.9 | 174.8 | 48 | 0 | 0 | 0 | 0 | 112.8 | L232 R238 | L232-S234 PolarHBondContact O-N 2.92Å; S234-R238 WeakPolarHBondContact O-CB 3.48Å; S234-R238 PolarHBondContact O-N 3.19Å |
| 235 | E | 94.9 | Very high | 94.6 | Very high | 46 Ų | 46 | 52.4 Ų | 52.4 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -74.5 | -38.4 | 178.3 | 179.5 | 53.6 | -157.2 | 0 | 0 | 111.4 | A17 L232 R238 Q239 | A17-E235 HydrophobicContact CB-CB 4.46Å; A17-E235 HydrophobicContact CB-CG 4.35Å; L232-E235 HydrophobicContact CB-CB 4.12Å; L232-E235 PolarHBondContact O-N 2.92Å; L232-E235 VanDerWaalsContact O-N 3.08Å; E235-R238 WeakPolarHBondContact O-CB 3.41Å; E235-R238 PolarHBondContact O-N 3.28Å; E235-R238 IonicContact OE1-CZ 3.2Å; E235-R238 IonicContact OE1-NE 3.26Å; E235-R238 PolarHBondContact OE1-NE 3.45Å; E235-R238 IonicContact OE1-NH2 3.81Å; E235-R238 PolarHBondContact OE1-NH2 3.4Å; E235-R238 IonicContact OE2-CZ 2.74Å; E235-R238 IonicContact OE2-NE 2.78Å; E235-R238 PolarHBondContact OE2-NE 3.19Å; E235-R238 IonicContact OE2-NH2 2.77Å; E235-Q239 WeakPolarHBondContact O-CG 3.46Å; E235-Q239 PolarHBondContact O-N 3.48Å; E235-Q239 PolarHBondContact OE1-NE2 3.31Å |
| 236 | A | 94 | Very high | 94.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.1 | -48 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F6 L10 A17 L232 L233 R238 Q239 L240 | F6-A236 HydrophobicContact CZ-CB 4.35Å; L10-A236 HydrophobicContact CD2-CB 3.33Å; A17-A236 HydrophobicContact CB-CB 4.15Å; L232-A236 PolarHBondContact O-N 3.4Å; L232-A236 VanDerWaalsContact O-N 3.08Å; L233-A236 PolarHBondContact O-N 3.48Å; A236-R238 VanDerWaalsContact C-N 3.35Å; A236-R238 PolarHBondContact O-N 2.9Å; A236-Q239 PolarHBondContact O-N 3.39Å; A236-L240 WeakPolarHBondContact O-CB 3.38Å; A236-L240 WeakPolarHBondContact O-CG 3.19Å; A236-L240 PolarHBondContact O-N 2.66Å |
| 237 | A | 95.2 | Very high | 94.6 | Very high | 6 Ų | 6 | 50.7 Ų | 50.7 | 5% | 0.05 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L233 Q239 L240 G241 L242 L247 | L233-A237 VanDerWaalsContact O-CB 3.22Å; L233-A237 WeakPolarHBondContact O-CB 3.43Å; L233-A237 PolarHBondContact O-N 3.42Å; A237-Q239 VanDerWaalsContact C-N 3.33Å; A237-Q239 PolarHBondContact O-N 3.08Å; A237-L240 CarbonylContact O-C 3.58Å; A237-L240 PolarHBondContact O-N 2.88Å; A237-L240 VanDerWaalsContact O-N 3.15Å; A237-G241 PolarHBondContact O-N 3.37Å; A237-L242 CarbonylContact C-O 3.54Å; A237-L242 HydrophobicContact CB-CB 4.13Å; A237-L242 PolarHBondContact O-N 3.35Å; A237-L247 HydrophobicContact CB-CD2 4.14Å |
| 238 | R | 95.5 | Very high | 94.5 | Very high | 162 Ų | 162 | 48.8 Ų | 48.8 | 61% | 0.611 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -56.3 | -44.1 | 175.6 | -169 | -167.9 | 70.6 | 75.7 | -1.6 | 112.2 | S234 E235 A236 G241 | S234-R238 WeakPolarHBondContact O-CB 3.48Å; S234-R238 PolarHBondContact O-N 3.19Å; E235-R238 WeakPolarHBondContact O-CB 3.41Å; E235-R238 PolarHBondContact O-N 3.28Å; E235-R238 IonicContact OE1-CZ 3.2Å; E235-R238 IonicContact OE1-NE 3.26Å; E235-R238 PolarHBondContact OE1-NE 3.45Å; E235-R238 IonicContact OE1-NH2 3.81Å; E235-R238 PolarHBondContact OE1-NH2 3.4Å; E235-R238 IonicContact OE2-CZ 2.74Å; E235-R238 IonicContact OE2-NE 2.78Å; E235-R238 PolarHBondContact OE2-NE 3.19Å; E235-R238 IonicContact OE2-NH2 2.77Å; A236-R238 VanDerWaalsContact C-N 3.35Å; A236-R238 PolarHBondContact O-N 2.9Å; R238-G241 PolarHBondContact O-N 3.25Å |
| 239 | Q | 95.5 | Very high | 94.5 | Very high | 72 Ų | 72 | 48.9 Ų | 48.9 | 34% | 0.336 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -73.8 | -27.9 | 178.7 | -66.8 | -175.2 | 31.9 | 0 | 0 | 113.3 | C14 P15 E235 A236 A237 G241 | C14-Q239 VanDerWaalsContact CA-OE1 3.28Å; P15-Q239 PolarHBondContact O-NE2 3.23Å; E235-Q239 WeakPolarHBondContact O-CG 3.46Å; E235-Q239 PolarHBondContact O-N 3.48Å; E235-Q239 PolarHBondContact OE1-NE2 3.31Å; A236-Q239 PolarHBondContact O-N 3.39Å; A237-Q239 VanDerWaalsContact C-N 3.33Å; A237-Q239 PolarHBondContact O-N 3.08Å; Q239-G241 VanDerWaalsContact C-N 3.33Å |
| 240 | L | 95.8 | Very high | 94.5 | Very high | 13 Ų | 13 | 45.7 Ų | 45.7 | 7% | 0.068 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -1.2 | 174.9 | -71.8 | 169.6 | 0 | 0 | 0 | 114.1 | F6 Y9 A236 A237 L242 F250 I297 S301 | F6-L240 HydrophobicContact CE2-CD1 4.05Å; Y9-L240 HydrophobicContact CE1-CD2 3.91Å; A236-L240 WeakPolarHBondContact O-CB 3.38Å; A236-L240 WeakPolarHBondContact O-CG 3.19Å; A236-L240 PolarHBondContact O-N 2.66Å; A237-L240 CarbonylContact O-C 3.58Å; A237-L240 PolarHBondContact O-N 2.88Å; A237-L240 VanDerWaalsContact O-N 3.15Å; L240-L242 HydrophobicContact CB-CD1 3.81Å; L240-L242 HydrophobicContact CB-CG 4.03Å; L240-L242 HydrophobicContact CD1-CD1 4.13Å; L240-L242 PolarHBondContact O-N 3.12Å; L240-F250 HydrophobicContact CD1-CE1 4.42Å; L240-F250 HydrophobicContact CD1-CZ 4.04Å; L240-I297 HydrophobicContact CD1-CG2 4.49Å; L240-I297 HydrophobicContact CD2-CG2 4.08Å; L240-S301 WeakPolarHBondContact CD2-OG 3.47Å; L240-S301 WeakPolarHBondContact O-CB 3.39Å; L240-S301 PolarHBondContact O-OG 3.4Å |
| 241 | G | 96.2 | Very high | 94.5 | Very high | 51 Ų | 51 | 43.8 Ų | 43.8 | 53% | 0.526 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 5.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | A237 R238 Q239 S305 | A237-G241 PolarHBondContact O-N 3.37Å; R238-G241 PolarHBondContact O-N 3.25Å; Q239-G241 VanDerWaalsContact C-N 3.33Å; G241-S305 PolarHBondContact O-OG 3.05Å |
| 242 | L | 95.8 | Very high | 94.4 | Very high | 10 Ų | 10 | 43.5 Ų | 43.5 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | trans | -85.7 | 144.3 | -172.4 | -65 | 167.5 | 0 | 0 | 0 | 112.3 | A237 L240 H246 L247 F250 V304 S305 | A237-L242 CarbonylContact C-O 3.54Å; A237-L242 HydrophobicContact CB-CB 4.13Å; A237-L242 PolarHBondContact O-N 3.35Å; L240-L242 HydrophobicContact CB-CD1 3.81Å; L240-L242 HydrophobicContact CB-CG 4.03Å; L240-L242 HydrophobicContact CD1-CD1 4.13Å; L240-L242 PolarHBondContact O-N 3.12Å; L242-H246 HydrophobicContact CB-CB 4.33Å; L242-H246 HydrophobicContact CD2-CB 3.67Å; L242-L247 HydrophobicContact CD1-CD2 4.47Å; L242-F250 HydrophobicContact CD1-CB 4.28Å; L242-F250 HydrophobicContact CD1-CD1 3.81Å; L242-F250 HydrophobicContact CD1-CD2 3.75Å; L242-F250 HydrophobicContact CD1-CE1 4.01Å; L242-F250 HydrophobicContact CD1-CE2 3.97Å; L242-F250 HydrophobicContact CD1-CG 3.67Å; L242-F250 HydrophobicContact CD1-CZ 4.09Å; L242-F250 HydrophobicContact CD2-CB 4.45Å; L242-F250 HydrophobicContact CD2-CD2 4.43Å; L242-V304 HydrophobicContact CD2-CB 4.29Å; L242-V304 HydrophobicContact CD2-CG1 4.18Å; L242-S305 WeakPolarHBondContact CD2-OG 3.45Å | ||
| 243 | K | 92.1 | Very high | 94.5 | Very high | 136 Ų | 136 | 41.1 Ų | 41.1 | 59% | 0.591 | 22% | 0.217 | S | C | * | . | trans | -96.5 | 160.4 | 167.1 | -62.1 | 175.7 | -177.6 | 173.8 | 0 | 109.5 | Q245 H246 | K243-Q245 HydrophobicContact CB-CG 3.96Å; K243-Q245 PolarHBondContact O-N 3.26Å; K243-Q245 VanDerWaalsContact O-N 3.15Å; K243-H246 PolarHBondContact N-ND1 2.98Å; K243-H246 WeakPolarHBondContact O-CA 3.16Å; K243-H246 VanDerWaalsContact O-CB 3.28Å; K243-H246 WeakPolarHBondContact O-CB 3.47Å; K243-H246 PolarHBondContact O-N 3.04Å | ||
| 244 | T | 88.2 | Confident | 94.5 | Very high | 98 Ų | 98 | 40.5 Ų | 40.5 | 60% | 0.601 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -53.3 | -39.3 | 178.7 | -42.6 | 0 | 0 | 0 | 0 | 112.9 | H246 L247 | T244-H246 PolarHBondContact O-N 3.04Å; T244-L247 HydrophobicContact CG2-CD1 4.15Å; T244-L247 WeakPolarHBondContact O-CB 3.47Å; T244-L247 WeakPolarHBondContact O-CG 3.28Å; T244-L247 PolarHBondContact O-N 3Å |
| 245 | Q | 90.7 | Very high | 94.4 | Very high | 127 Ų | 127 | 36.3 Ų | 36.3 | 59% | 0.593 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | -64.5 | -17.6 | 175.4 | 63.3 | 176.2 | 38.8 | 0 | 0 | 114.6 | K243 L310 | K243-Q245 HydrophobicContact CB-CG 3.96Å; K243-Q245 PolarHBondContact O-N 3.26Å; K243-Q245 VanDerWaalsContact O-N 3.15Å; Q245-L310 HydrophobicContact CB-CD1 4.38Å; Q245-L310 HydrophobicContact CG-CD1 3.91Å |
| 246 | H | 94.7 | Very high | 94.3 | Very high | 11 Ų | 11 | 34.7 Ų | 34.7 | 5% | 0.051 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -83.5 | -21.8 | 176.8 | -59 | 176.9 | 0 | 0 | 0 | 112.1 | L242 K243 T244 L249 F250 V304 | L242-H246 HydrophobicContact CB-CB 4.33Å; L242-H246 HydrophobicContact CD2-CB 3.67Å; K243-H246 PolarHBondContact N-ND1 2.98Å; K243-H246 WeakPolarHBondContact O-CA 3.16Å; K243-H246 VanDerWaalsContact O-CB 3.28Å; K243-H246 WeakPolarHBondContact O-CB 3.47Å; K243-H246 PolarHBondContact O-N 3.04Å; T244-H246 PolarHBondContact O-N 3.04Å; H246-L249 PolarHBondContact O-N 3.31Å; H246-F250 WeakPolarHBondContact O-CB 3.46Å; H246-F250 PolarHBondContact O-N 3.28Å; H246-V304 HydrophobicContact CB-CG1 3.77Å |
| 247 | L | 93.8 | Very high | 94.2 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.8 | -41.9 | -167 | -63.1 | 171.9 | 0 | 0 | 0 | 114.3 | L233 A237 L242 T244 L249 F250 A251 | L233-L247 HydrophobicContact CD1-CD2 4.29Å; L233-L247 HydrophobicContact CD2-CD1 3.82Å; L233-L247 HydrophobicContact CG-CD1 4.17Å; L233-L247 HydrophobicContact CG-CD2 4.49Å; A237-L247 HydrophobicContact CB-CD2 4.14Å; L242-L247 HydrophobicContact CD1-CD2 4.47Å; T244-L247 HydrophobicContact CG2-CD1 4.15Å; T244-L247 WeakPolarHBondContact O-CB 3.47Å; T244-L247 WeakPolarHBondContact O-CG 3.28Å; T244-L247 PolarHBondContact O-N 3Å; L247-L249 PolarHBondContact O-N 2.95Å; L247-F250 PolarHBondContact O-N 2.72Å; L247-A251 WeakPolarHBondContact O-CB 3.12Å; L247-A251 PolarHBondContact O-N 3.43Å |
| 248 | P | 94.7 | Very high | 94.1 | Very high | 15 Ų | 15 | 37.1 Ų | 37.1 | 10% | 0.097 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.1 | -39.2 | 177.6 | -23.7 | 35.9 | 0 | 0 | 0 | 113.3 | A252 F342 S343 | P248-A252 VanDerWaalsContact O-CB 3.29Å; P248-A252 WeakPolarHBondContact O-CB 3.28Å; P248-A252 PolarHBondContact O-N 2.94Å; P248-F342 HydrophobicContact CB-CB 3.94Å; P248-S343 VanDerWaalsContact CB-OG 3.24Å; P248-S343 WeakPolarHBondContact CB-OG 3.03Å |
| 249 | L | 96.4 | Very high | 94 | Very high | 6 Ų | 6 | 29.4 Ų | 29.4 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.4 | -40.7 | 178 | 178 | 56.7 | 0 | 0 | 0 | 111.7 | H246 L247 A252 L253 V304 I307 L310 I316 F335 V339 | H246-L249 PolarHBondContact O-N 3.31Å; L247-L249 PolarHBondContact O-N 2.95Å; L249-A252 PolarHBondContact O-N 2.81Å; L249-L253 HydrophobicContact CD1-CD1 3.85Å; L249-L253 HydrophobicContact CD1-CG 4.2Å; L249-L253 HydrophobicContact CG-CD1 4.22Å; L249-L253 WeakPolarHBondContact O-CB 3.46Å; L249-L253 WeakPolarHBondContact O-CG 3.35Å; L249-L253 PolarHBondContact O-N 2.79Å; L249-L253 VanDerWaalsContact O-N 3.09Å; L249-V304 HydrophobicContact CB-CG1 4.39Å; L249-V304 HydrophobicContact CD2-CG1 4.1Å; L249-V304 HydrophobicContact CG-CG1 4.16Å; L249-V304 HydrophobicContact CG-CG2 4.15Å; L249-I307 HydrophobicContact CD2-CD1 3.71Å; L249-L310 HydrophobicContact CD2-CD2 3.72Å; L249-I316 HydrophobicContact CD1-CG2 4.28Å; L249-I316 HydrophobicContact CD2-CD1 3.93Å; L249-F335 HydrophobicContact CD1-CE2 3.49Å; L249-F335 VanDerWaalsContact CD1-CE2 3.49Å; L249-F335 HydrophobicContact CD1-CZ 3.44Å; L249-F335 VanDerWaalsContact CD1-CZ 3.44Å; L249-V339 HydrophobicContact CD1-CG2 3.92Å |
| 250 | F | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.9 | -52.6 | 172.5 | 172.7 | -107.9 | 0 | 0 | 0 | 111.5 | F6 L205 L240 L242 H246 L247 A252 L253 L254 I297 V300 | F6-F250 HydrophobicContact CD2-CE1 4.41Å; F6-F250 AromaticContact CE2-CE1 3.87Å; F6-F250 HydrophobicContact CE2-CE1 3.87Å; F6-F250 HydrophobicContact CE2-CZ 4.18Å; F6-F250 HydrophobicContact CZ-CE1 4.46Å; L205-F250 HydrophobicContact CD2-CD1 4.11Å; L205-F250 HydrophobicContact CD2-CE1 3.87Å; L240-F250 HydrophobicContact CD1-CE1 4.42Å; L240-F250 HydrophobicContact CD1-CZ 4.04Å; L242-F250 HydrophobicContact CD1-CB 4.28Å; L242-F250 HydrophobicContact CD1-CD1 3.81Å; L242-F250 HydrophobicContact CD1-CD2 3.75Å; L242-F250 HydrophobicContact CD1-CE1 4.01Å; L242-F250 HydrophobicContact CD1-CE2 3.97Å; L242-F250 HydrophobicContact CD1-CG 3.67Å; L242-F250 HydrophobicContact CD1-CZ 4.09Å; L242-F250 HydrophobicContact CD2-CB 4.45Å; L242-F250 HydrophobicContact CD2-CD2 4.43Å; H246-F250 WeakPolarHBondContact O-CB 3.46Å; H246-F250 PolarHBondContact O-N 3.28Å; L247-F250 PolarHBondContact O-N 2.72Å; F250-A252 VanDerWaalsContact C-N 3.34Å; F250-A252 PolarHBondContact O-N 3.37Å; F250-L253 PolarHBondContact O-N 3.46Å; F250-L253 VanDerWaalsContact O-N 3.12Å; F250-L254 HydrophobicContact CD1-CD1 4.48Å; F250-L254 HydrophobicContact CE1-CD1 3.91Å; F250-L254 HydrophobicContact CE1-CG 4.43Å; F250-L254 HydrophobicContact CE2-CD2 3.9Å; F250-L254 HydrophobicContact CE2-CG 4.35Å; F250-L254 HydrophobicContact CZ-CD1 3.95Å; F250-L254 HydrophobicContact CZ-CD2 3.97Å; F250-L254 HydrophobicContact CZ-CG 4.22Å; F250-L254 WeakPolarHBondContact O-CG 3.49Å; F250-L254 PolarHBondContact O-N 2.94Å; F250-L254 VanDerWaalsContact O-N 3.1Å; F250-I297 WeakPolarHBondContact CE2-O 3.37Å; F250-I297 HydrophobicContact CZ-CG2 4.25Å; F250-V300 HydrophobicContact CD2-CG1 3.95Å; F250-V300 HydrophobicContact CE2-CB 4.45Å; F250-V300 HydrophobicContact CE2-CG1 4.31Å |
| 251 | A | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.7 | -38.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | L205 L247 L253 N256 F342 | L205-A251 HydrophobicContact CB-CB 4.17Å; L205-A251 HydrophobicContact CD1-CB 3.88Å; L205-A251 HydrophobicContact CG-CB 4.47Å; L247-A251 WeakPolarHBondContact O-CB 3.12Å; L247-A251 PolarHBondContact O-N 3.43Å; A251-L253 VanDerWaalsContact C-N 3.32Å; A251-L253 PolarHBondContact O-N 3.06Å; A251-N256 PolarHBondContact O-ND2 3.45Å; A251-F342 HydrophobicContact CB-CB 4.27Å; A251-F342 HydrophobicContact CB-CD1 3.71Å; A251-F342 HydrophobicContact CB-CD2 3.66Å; A251-F342 HydrophobicContact CB-CE1 3.91Å; A251-F342 HydrophobicContact CB-CE2 3.86Å; A251-F342 HydrophobicContact CB-CG 3.6Å; A251-F342 HydrophobicContact CB-CZ 4Å |
| 252 | A | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.1 | -38.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P248 L249 F250 N256 A338 V339 | P248-A252 VanDerWaalsContact O-CB 3.29Å; P248-A252 WeakPolarHBondContact O-CB 3.28Å; P248-A252 PolarHBondContact O-N 2.94Å; L249-A252 PolarHBondContact O-N 2.81Å; F250-A252 VanDerWaalsContact C-N 3.34Å; F250-A252 PolarHBondContact O-N 3.37Å; A252-N256 PolarHBondContact O-ND2 2.88Å; A252-A338 HydrophobicContact CB-CB 3.82Å; A252-V339 HydrophobicContact CB-CB 4.44Å; A252-V339 HydrophobicContact CB-CG2 3.58Å |
| 253 | L | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -88.6 | -8.3 | -176.7 | -70.2 | 176.5 | 0 | 0 | 0 | 115.3 | L249 F250 A251 L264 F267 H268 V300 Y303 V304 V320 F335 | L249-L253 HydrophobicContact CD1-CD1 3.85Å; L249-L253 HydrophobicContact CD1-CG 4.2Å; L249-L253 HydrophobicContact CG-CD1 4.22Å; L249-L253 WeakPolarHBondContact O-CB 3.46Å; L249-L253 WeakPolarHBondContact O-CG 3.35Å; L249-L253 PolarHBondContact O-N 2.79Å; L249-L253 VanDerWaalsContact O-N 3.09Å; F250-L253 PolarHBondContact O-N 3.46Å; F250-L253 VanDerWaalsContact O-N 3.12Å; A251-L253 VanDerWaalsContact C-N 3.32Å; A251-L253 PolarHBondContact O-N 3.06Å; L253-L264 HydrophobicContact CD2-CD2 3.93Å; L253-F267 HydrophobicContact CB-CE1 4.26Å; L253-F267 HydrophobicContact CD1-CE1 4.42Å; L253-F267 HydrophobicContact CD1-CZ 4.29Å; L253-F267 HydrophobicContact CD2-CE1 4.13Å; L253-H268 PolarHBondContact O-NE2 3.41Å; L253-V300 HydrophobicContact CB-CG1 3.66Å; L253-Y303 HydrophobicContact CD1-CD1 4.16Å; L253-Y303 HydrophobicContact CD1-CE1 3.99Å; L253-V304 HydrophobicContact CD1-CG2 3.87Å; L253-V320 HydrophobicContact CD1-CG2 4.27Å; L253-V320 HydrophobicContact CD2-CB 4.48Å; L253-V320 HydrophobicContact CD2-CG1 3.84Å; L253-V320 HydrophobicContact CD2-CG2 3.8Å; L253-F335 HydrophobicContact CD1-CE2 4.39Å; L253-F335 HydrophobicContact CD2-CD2 3.86Å; L253-F335 HydrophobicContact CD2-CE2 3.64Å; L253-F335 HydrophobicContact CG-CE2 3.95Å |
| 254 | L | 94.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.2 | -36.4 | 172.2 | -72.2 | -176 | 0 | 0 | 0 | 112.6 | G2 V3 F6 L205 F250 H268 I297 V300 | G2-L254 VanDerWaalsContact CA-O 3.24Å; G2-L254 WeakPolarHBondContact CA-O 3.42Å; V3-L254 HydrophobicContact CG2-CB 4.15Å; V3-L254 HydrophobicContact CG2-CD1 4.45Å; F6-L254 HydrophobicContact CD2-CD1 4.46Å; L205-L254 HydrophobicContact CD1-CD1 4.02Å; F250-L254 HydrophobicContact CD1-CD1 4.48Å; F250-L254 HydrophobicContact CE1-CD1 3.91Å; F250-L254 HydrophobicContact CE1-CG 4.43Å; F250-L254 HydrophobicContact CE2-CD2 3.9Å; F250-L254 HydrophobicContact CE2-CG 4.35Å; F250-L254 HydrophobicContact CZ-CD1 3.95Å; F250-L254 HydrophobicContact CZ-CD2 3.97Å; F250-L254 HydrophobicContact CZ-CG 4.22Å; F250-L254 WeakPolarHBondContact O-CG 3.49Å; F250-L254 PolarHBondContact O-N 2.94Å; F250-L254 VanDerWaalsContact O-N 3.1Å; L254-H268 PolarHBondContact O-CE1 2.86Å; L254-I297 HydrophobicContact CD1-CG1 4.35Å; L254-I297 HydrophobicContact CD2-CB 4.39Å; L254-I297 HydrophobicContact CD2-CG1 3.77Å; L254-V300 HydrophobicContact CD2-CB 4.21Å; L254-V300 HydrophobicContact CD2-CG1 4.31Å |
| 255 | G | 91.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 16 Ų | 16 | 2% | 0.021 | 8% | 0.081 | C | C | . | . | trans | 113.5 | 119.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | G2 V3 L259 | G2-G255 WeakPolarHBondContact CA-O 3.43Å; V3-G255 WeakPolarHBondContact CG2-O 3.45Å; V3-G255 PolarHBondContact N-O 3.41Å; G255-L259 WeakPolarHBondContact CA-O 3.38Å | ||
| 256 | N | 92.3 | Very high | 92.3 | Very high | 11 Ų | 11 | 11.9 Ų | 11.9 | 6% | 0.059 | 7% | 0.068 | C | C | . | . | trans | -149 | -171.9 | -171.3 | 59.3 | 72.4 | 0 | 0 | 0 | 110.8 | V3 A251 A252 I258 L259 P260 F342 | V3-N256 HydrophobicContact CG2-CB 4.1Å; A251-N256 PolarHBondContact O-ND2 3.45Å; A252-N256 PolarHBondContact O-ND2 2.88Å; N256-I258 PolarHBondContact O-N 3.04Å; N256-I258 PolarHBondContact OD1-N 2.74Å; N256-L259 PolarHBondContact N-O 3.29Å; N256-L259 CarbonylContact O-C 3.56Å; N256-L259 PolarHBondContact OD1-N 2.77Å; N256-P260 VanDerWaalsContact O-CA 3.27Å; N256-P260 WeakPolarHBondContact O-CA 3.34Å; N256-F342 HydrophobicContact CB-CE2 4.1Å; N256-F342 HydrophobicContact CB-CZ 4.22Å | ||
| 257 | H | 90.7 | Very high | 92.2 | Very high | 26 Ų | 26 | 11.6 Ų | 11.6 | 12% | 0.12 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -73 | -22.2 | -175.9 | 65.9 | -87.4 | 0 | 0 | 0 | 114.4 | R118 E202 Y341 | R118-H257 HydrophobicContact CG-CB 4.01Å; R118-H257 PolarHBondContact NH1-ND1 2.93Å; R118-H257 PolarHBondContact NH2-CE1 2.78Å; E202-H257 IonicContact OE1-CE1 3.89Å; E202-H257 IonicContact OE2-CE1 2.9Å; E202-H257 PolarHBondContact OE2-CE1 2.68Å; E202-H257 IonicContact OE2-ND1 3.86Å; E202-H257 PolarHBondContact OE2-ND1 3.13Å; H257-Y341 AromaticContact CE1-CE1 3.73Å; H257-Y341 AromaticContact CE1-CE2 3.99Å; H257-Y341 AromaticContact CE1-CZ 3.62Å; H257-Y341 AromaticContact NE2-CE2 3.92Å |
| 258 | I | 93 | Very high | 92.1 | Very high | 31 Ų | 31 | 11.4 Ų | 11.4 | 16% | 0.159 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -90.9 | -45.9 | 178.4 | -55.4 | 176.4 | 0 | 0 | 0 | 110.7 | N256 R334 K337 A338 Y341 | N256-I258 PolarHBondContact O-N 3.04Å; N256-I258 PolarHBondContact OD1-N 2.74Å; I258-R334 HydrophobicContact CG2-CB 4.41Å; I258-R334 WeakPolarHBondContact CG2-O 3.39Å; I258-R334 WeakPolarHBondContact O-CG 3.41Å; I258-K337 HydrophobicContact CG2-CB 3.89Å; I258-A338 HydrophobicContact CB-CB 4.18Å; I258-A338 HydrophobicContact CG2-CB 4.27Å; I258-Y341 HydrophobicContact CD1-CD2 3.87Å; I258-Y341 HydrophobicContact CD1-CG 3.79Å |
| 259 | L | 93.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -119.2 | 94.7 | 176 | -176.6 | 66.1 | 0 | 0 | 0 | 109 | G255 N256 D263 L264 F321 R334 F335 A338 | G255-L259 WeakPolarHBondContact CA-O 3.38Å; N256-L259 PolarHBondContact N-O 3.29Å; N256-L259 CarbonylContact O-C 3.56Å; N256-L259 PolarHBondContact OD1-N 2.77Å; L259-D263 HydrophobicContact CD1-CB 3.97Å; L259-L264 HydrophobicContact CD2-CD1 3.88Å; L259-L264 HydrophobicContact CD2-CD2 3.94Å; L259-L264 HydrophobicContact CD2-CG 3.96Å; L259-L264 HydrophobicContact CG-CD1 3.83Å; L259-L264 HydrophobicContact CG-CD2 4.47Å; L259-L264 HydrophobicContact CG-CG 3.95Å; L259-F321 HydrophobicContact CD1-CE1 4.4Å; L259-F321 HydrophobicContact CD1-CZ 3.94Å; L259-F321 HydrophobicContact CD2-CZ 4.07Å; L259-R334 HydrophobicContact CB-CB 4.47Å; L259-R334 HydrophobicContact CD1-CB 4.08Å; L259-F335 HydrophobicContact CD2-CB 4Å; L259-F335 HydrophobicContact CD2-CD2 4.15Å; L259-A338 HydrophobicContact CB-CB 4.21Å |
| 260 | P | 89.6 | Confident | 91.5 | Very high | 18 Ų | 18 | 12.5 Ų | 12.5 | 12% | 0.117 | 7% | 0.073 | C | C | . | . | trans | -77.3 | 159.3 | -171.2 | 31.6 | -36.7 | 0 | 0 | 0 | 113.4 | N256 E262 D263 L264 | N256-P260 VanDerWaalsContact O-CA 3.27Å; N256-P260 WeakPolarHBondContact O-CA 3.34Å; P260-E262 PolarHBondContact O-N 2.76Å; P260-E262 VanDerWaalsContact O-N 3.12Å; P260-D263 HydrophobicContact CG-CB 4.24Å; P260-D263 PolarHBondContact O-N 2.88Å; P260-L264 PolarHBondContact O-N 3.4Å | ||
| 261 | D | 87.4 | Confident | 91.3 | Very high | 15 Ų | 15 | 14.9 Ų | 14.9 | 8% | 0.08 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -49 | -37.8 | 173.6 | -53.6 | -123.6 | 0 | 0 | 0 | 112 | M1 G2 D263 L264 A265 L290 | M1-D261 WeakPolarHBondContact CB-OD1 3.47Å; G2-D261 WeakPolarHBondContact CA-OD1 3.48Å; G2-D261 PolarHBondContact N-OD1 3.49Å; D261-D263 VanDerWaalsContact C-N 3.32Å; D261-D263 PolarHBondContact O-N 2.72Å; D261-L264 CarbonylContact O-C 3.58Å; D261-L264 PolarHBondContact O-N 3.28Å; D261-A265 PolarHBondContact O-N 2.8Å; D261-L290 HydrophobicContact CB-CD1 3.63Å; D261-L290 HydrophobicContact CB-CD2 4.18Å |
| 262 | E | 85.9 | Confident | 91 | Very high | 53 Ų | 53 | 16.2 Ų | 16.2 | 25% | 0.248 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.9 | -35.1 | 177.3 | -71.1 | 86.7 | 166.9 | 0 | 0 | 114 | R124 P260 L288 L513 | R124-E262 IonicContact CZ-OE1 3.74Å; R124-E262 IonicContact CZ-OE2 3.49Å; R124-E262 IonicContact NH1-OE1 2.7Å; R124-E262 PolarHBondContact NH1-OE1 2.95Å; R124-E262 IonicContact NH1-OE2 2.8Å; R124-E262 PolarHBondContact NH1-OE2 2.98Å; P260-E262 PolarHBondContact O-N 2.76Å; P260-E262 VanDerWaalsContact O-N 3.12Å; E262-L288 HydrophobicContact CB-CD2 4.12Å; E262-L288 HydrophobicContact CG-CD2 3.88Å; E262-L513 HydrophobicContact CB-CD1 4.38Å |
| 263 | D | 88.3 | Confident | 90.5 | Very high | 9 Ų | 9 | 17.6 Ų | 17.6 | 5% | 0.048 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -81.4 | -26.8 | 178.4 | -81.2 | -30.8 | 0 | 0 | 0 | 112.4 | L259 P260 D261 K331 R334 | L259-D263 HydrophobicContact CD1-CB 3.97Å; P260-D263 HydrophobicContact CG-CB 4.24Å; P260-D263 PolarHBondContact O-N 2.88Å; D261-D263 VanDerWaalsContact C-N 3.32Å; D261-D263 PolarHBondContact O-N 2.72Å; D263-K331 HydrophobicContact CB-CD 4.31Å; D263-K331 HydrophobicContact CB-CG 4.31Å; D263-K331 PolarHBondContact O-NZ 3.37Å; D263-K331 WeakPolarHBondContact OD1-CE 3.25Å; D263-K331 IonicContact OD1-NZ 3.16Å; D263-R334 IonicContact OD2-CZ 3.51Å; D263-R334 IonicContact OD2-NH1 3.64Å; D263-R334 PolarHBondContact OD2-NH1 3.2Å |
| 264 | L | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -91.9 | -12.6 | -179.7 | -77.6 | 161.6 | 0 | 0 | 0 | 114.5 | L253 L259 P260 D261 A266 F267 H268 V320 F321 | L253-L264 HydrophobicContact CD2-CD2 3.93Å; L259-L264 HydrophobicContact CD2-CD1 3.88Å; L259-L264 HydrophobicContact CD2-CD2 3.94Å; L259-L264 HydrophobicContact CD2-CG 3.96Å; L259-L264 HydrophobicContact CG-CD1 3.83Å; L259-L264 HydrophobicContact CG-CD2 4.47Å; L259-L264 HydrophobicContact CG-CG 3.95Å; P260-L264 PolarHBondContact O-N 3.4Å; D261-L264 CarbonylContact O-C 3.58Å; D261-L264 PolarHBondContact O-N 3.28Å; L264-A266 VanDerWaalsContact C-N 3.27Å; L264-A266 PolarHBondContact O-N 2.86Å; L264-A266 VanDerWaalsContact O-N 3.09Å; L264-F267 HydrophobicContact CD2-CD1 3.83Å; L264-F267 HydrophobicContact CD2-CE1 4.5Å; L264-F267 WeakPolarHBondContact O-CA 3.19Å; L264-F267 WeakPolarHBondContact O-CB 3.16Å; L264-F267 PolarHBondContact O-N 3.38Å; L264-H268 PolarHBondContact O-N 2.82Å; L264-V320 HydrophobicContact CD2-CG1 4.06Å; L264-F321 HydrophobicContact CD2-CE1 4.43Å |
| 265 | A | 88.6 | Confident | 89.1 | Confident | 5 Ų | 5 | 30.8 Ų | 30.8 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -49.9 | -42 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D261 W269 L288 L290 | D261-A265 PolarHBondContact O-N 2.8Å; A265-W269 PolarHBondContact O-N 3Å; A265-L288 HydrophobicContact CB-CD1 3.93Å; A265-L288 HydrophobicContact CB-CD2 4.31Å; A265-L288 HydrophobicContact CB-CG 4.4Å; A265-L290 HydrophobicContact CB-CD2 3.53Å |
| 266 | A | 87.9 | Confident | 88.8 | Confident | 39 Ų | 39 | 33.4 Ų | 33.4 | 32% | 0.322 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -65.3 | -42.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L264 W269 S270 Q323 | L264-A266 VanDerWaalsContact C-N 3.27Å; L264-A266 PolarHBondContact O-N 2.86Å; L264-A266 VanDerWaalsContact O-N 3.09Å; A266-W269 PolarHBondContact O-N 3.33Å; A266-S270 WeakPolarHBondContact O-CB 3.49Å; A266-S270 PolarHBondContact O-N 3.03Å; A266-Q323 HydrophobicContact CB-CB 4.45Å |
| 267 | F | 92.2 | Very high | 88.3 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 2% | 0.022 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63 | -50.2 | 175.4 | 167.6 | -111 | 0 | 0 | 0 | 111 | L253 L264 W269 S270 L271 V300 Y303 V320 | L253-F267 HydrophobicContact CB-CE1 4.26Å; L253-F267 HydrophobicContact CD1-CE1 4.42Å; L253-F267 HydrophobicContact CD1-CZ 4.29Å; L253-F267 HydrophobicContact CD2-CE1 4.13Å; L264-F267 HydrophobicContact CD2-CD1 3.83Å; L264-F267 HydrophobicContact CD2-CE1 4.5Å; L264-F267 WeakPolarHBondContact O-CA 3.19Å; L264-F267 WeakPolarHBondContact O-CB 3.16Å; L264-F267 PolarHBondContact O-N 3.38Å; F267-W269 VanDerWaalsContact C-N 3.31Å; F267-W269 PolarHBondContact O-N 3.49Å; F267-S270 WeakPolarHBondContact O-CA 3.25Å; F267-S270 WeakPolarHBondContact O-CB 3.26Å; F267-S270 PolarHBondContact O-N 2.85Å; F267-S270 PolarHBondContact O-OG 3.02Å; F267-L271 HydrophobicContact CD1-CD1 4.47Å; F267-L271 HydrophobicContact CD2-CD2 4.46Å; F267-L271 HydrophobicContact CD2-CG 4.4Å; F267-L271 HydrophobicContact CE1-CD1 3.88Å; F267-L271 HydrophobicContact CE2-CD1 4.15Å; F267-L271 HydrophobicContact CE2-CD2 3.82Å; F267-L271 HydrophobicContact CE2-CG 4.05Å; F267-L271 HydrophobicContact CZ-CD1 3.7Å; F267-L271 HydrophobicContact CZ-CD2 4.11Å; F267-L271 HydrophobicContact CZ-CG 4.13Å; F267-L271 PolarHBondContact O-N 2.93Å; F267-L271 VanDerWaalsContact O-N 3.08Å; F267-V300 HydrophobicContact CE1-CG2 4.19Å; F267-Y303 HydrophobicContact CE2-CD1 4.14Å; F267-Y303 HydrophobicContact CE2-CD2 4.33Å; F267-Y303 AromaticContact CE2-CE1 3.91Å; F267-Y303 HydrophobicContact CE2-CE1 3.91Å; F267-Y303 HydrophobicContact CE2-CE2 4.11Å; F267-Y303 HydrophobicContact CE2-CG 4.33Å; F267-Y303 AromaticContact CE2-CZ 3.89Å; F267-Y303 AromaticContact CZ-CD1 3.63Å; F267-Y303 HydrophobicContact CZ-CD1 3.63Å; F267-Y303 HydrophobicContact CZ-CD2 4.49Å; F267-Y303 AromaticContact CZ-CE1 3.7Å; F267-Y303 HydrophobicContact CZ-CE1 3.7Å; F267-Y303 HydrophobicContact CZ-CG 4.04Å; F267-V320 HydrophobicContact CB-CG1 4.16Å; F267-V320 HydrophobicContact CD1-CG1 4.12Å; F267-V320 HydrophobicContact CD2-CB 4.15Å; F267-V320 HydrophobicContact CD2-CG1 3.97Å; F267-V320 HydrophobicContact CD2-CG2 4.18Å; F267-V320 HydrophobicContact CE1-CG1 4.5Å; F267-V320 HydrophobicContact CE2-CB 4.3Å; F267-V320 HydrophobicContact CE2-CG1 4.36Å; F267-V320 HydrophobicContact CE2-CG2 3.82Å; F267-V320 HydrophobicContact CG-CG1 3.82Å; F267-V320 HydrophobicContact CZ-CG2 4.04Å |
| 268 | H | 92.1 | Very high | 87.9 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.019 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.6 | -41 | 178.4 | -64.7 | 162.4 | 0 | 0 | 0 | 112.5 | L253 L254 L264 P291 V296 | L253-H268 PolarHBondContact O-NE2 3.41Å; L254-H268 PolarHBondContact O-CE1 2.86Å; L264-H268 PolarHBondContact O-N 2.82Å; H268-P291 HydrophobicContact CB-CG 3.95Å; H268-V296 HydrophobicContact CB-CG1 4.46Å; H268-V296 HydrophobicContact CB-CG2 4.27Å |
| 269 | W | 89.4 | Confident | 87 | Confident | 11 Ų | 11 | 38.5 Ų | 38.5 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.9 | -35.9 | 171.7 | -80.5 | 116 | 0 | 0 | 0 | 113.2 | A265 A266 F267 L271 L272 L278 L281 K282 V289 P291 | A265-W269 PolarHBondContact O-N 3Å; A266-W269 PolarHBondContact O-N 3.33Å; F267-W269 VanDerWaalsContact C-N 3.31Å; F267-W269 PolarHBondContact O-N 3.49Å; W269-L271 VanDerWaalsContact C-N 3.3Å; W269-L271 PolarHBondContact O-N 3.08Å; W269-L272 HydrophobicContact CE3-CD1 4.18Å; W269-L272 HydrophobicContact CZ3-CD1 4.18Å; W269-L272 PolarHBondContact O-N 3.34Å; W269-L278 HydrophobicContact CH2-CB 4.39Å; W269-L278 WeakPolarHBondContact CH2-O 3.38Å; W269-L278 HydrophobicContact CZ3-CB 4.28Å; W269-L278 WeakPolarHBondContact CZ3-O 3.4Å; W269-L281 HydrophobicContact CH2-CB 4.18Å; W269-K282 HydrophobicContact CB-CD 4.28Å; W269-K282 HydrophobicContact CD2-CB 4.2Å; W269-K282 HydrophobicContact CD2-CD 4.28Å; W269-K282 HydrophobicContact CD2-CG 4.29Å; W269-K282 HydrophobicContact CE3-CB 4.41Å; W269-K282 HydrophobicContact CG-CD 4.09Å; W269-K282 HydrophobicContact CG-CG 4.33Å; W269-K282 HydrophobicContact CZ2-CB 4.35Å; W269-V289 HydrophobicContact CZ2-CG1 4.27Å; W269-V289 PolarHBondContact NE1-O 3.1Å; W269-P291 HydrophobicContact CD2-CG 3.71Å; W269-P291 HydrophobicContact CE3-CB 4.46Å; W269-P291 HydrophobicContact CE3-CG 4.03Å; W269-P291 HydrophobicContact CG-CG 4.08Å; W269-P291 HydrophobicContact CH2-CB 4.18Å; W269-P291 HydrophobicContact CH2-CG 4.31Å; W269-P291 HydrophobicContact CZ2-CB 4.26Å; W269-P291 HydrophobicContact CZ2-CG 4.02Å; W269-P291 HydrophobicContact CZ3-CB 4.29Å; W269-P291 HydrophobicContact CZ3-CG 4.32Å |
| 270 | S | 90.1 | Very high | 85.9 | Confident | 33 Ų | 33 | 42.4 Ų | 42.4 | 23% | 0.231 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.7 | -31.6 | 180 | 78.9 | 0 | 0 | 0 | 0 | 113.2 | A266 F267 L272 G273 | A266-S270 WeakPolarHBondContact O-CB 3.49Å; A266-S270 PolarHBondContact O-N 3.03Å; F267-S270 WeakPolarHBondContact O-CA 3.25Å; F267-S270 WeakPolarHBondContact O-CB 3.26Å; F267-S270 PolarHBondContact O-N 2.85Å; F267-S270 PolarHBondContact O-OG 3.02Å; S270-L272 PolarHBondContact O-N 3.26Å; S270-G273 PolarHBondContact O-N 3.42Å |
| 271 | L | 91.7 | Very high | 84.9 | Confident | 49 Ų | 49 | 43.9 Ų | 43.9 | 26% | 0.257 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -23.5 | 177.4 | -65.2 | -179 | 0 | 0 | 0 | 113.2 | F267 W269 A299 V300 Y303 | F267-L271 HydrophobicContact CD1-CD1 4.47Å; F267-L271 HydrophobicContact CD2-CD2 4.46Å; F267-L271 HydrophobicContact CD2-CG 4.4Å; F267-L271 HydrophobicContact CE1-CD1 3.88Å; F267-L271 HydrophobicContact CE2-CD1 4.15Å; F267-L271 HydrophobicContact CE2-CD2 3.82Å; F267-L271 HydrophobicContact CE2-CG 4.05Å; F267-L271 HydrophobicContact CZ-CD1 3.7Å; F267-L271 HydrophobicContact CZ-CD2 4.11Å; F267-L271 HydrophobicContact CZ-CG 4.13Å; F267-L271 PolarHBondContact O-N 2.93Å; F267-L271 VanDerWaalsContact O-N 3.08Å; W269-L271 VanDerWaalsContact C-N 3.3Å; W269-L271 PolarHBondContact O-N 3.08Å; L271-A299 HydrophobicContact CB-CB 3.97Å; L271-A299 HydrophobicContact CD1-CB 4.15Å; L271-V300 HydrophobicContact CD1-CG2 3.76Å; L271-Y303 HydrophobicContact CD2-CD2 3.66Å; L271-Y303 HydrophobicContact CD2-CE2 4.44Å; L271-Y303 HydrophobicContact CD2-CG 3.92Å |
| 272 | L | 89.3 | Confident | 83.7 | Confident | 29 Ų | 29 | 46.9 Ų | 46.9 | 15% | 0.152 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -28.2 | 179.9 | -51.7 | -172.9 | 0 | 0 | 0 | 112.3 | W269 S270 H276 P291 V295 A299 | W269-L272 HydrophobicContact CE3-CD1 4.18Å; W269-L272 HydrophobicContact CZ3-CD1 4.18Å; W269-L272 PolarHBondContact O-N 3.34Å; S270-L272 PolarHBondContact O-N 3.26Å; L272-H276 HydrophobicContact CB-CB 3.91Å; L272-H276 WeakPolarHBondContact O-CB 3.44Å; L272-P291 HydrophobicContact CD1-CB 3.74Å; L272-P291 HydrophobicContact CD1-CG 4.19Å; L272-V295 HydrophobicContact CD1-CG1 4.02Å; L272-V295 HydrophobicContact CD2-CG1 3.6Å; L272-V295 HydrophobicContact CG-CG1 4.5Å; L272-A299 HydrophobicContact CD2-CB 3.81Å |
| 273 | G | 84.3 | Confident | 82.2 | Confident | 28 Ų | 28 | 49.6 Ų | 49.6 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | trans | 75.4 | 172.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S270 | S270-G273 PolarHBondContact O-N 3.42Š| ||
| 274 | P | 80 | Confident | 80.6 | Confident | 107 Ų | 107 | 57.6 Ų | 57.6 | 70% | 0.695 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -31.5 | -177.1 | 28.3 | -33.9 | 0 | 0 | 0 | 113.3 | H276 A279 | P274-H276 VanDerWaalsContact C-N 3.25Å; P274-H276 PolarHBondContact O-N 3.27Å; P274-A279 WeakPolarHBondContact O-CB 3.33Å |
| 275 | E | 81.8 | Confident | 78.4 | Confident | 172 Ų | 172 | 61 Ų | 61 | 80% | 0.804 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -4.3 | -176.6 | -52.6 | -47.8 | 122.4 | 0 | 0 | 113.8 | ||
| 276 | H | 84.6 | Confident | 76.6 | Confident | 56 Ų | 56 | 69.8 Ų | 69.8 | 26% | 0.259 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -67.9 | 136.7 | -179.8 | -168 | -106.3 | 0 | 0 | 0 | 110.7 | L272 P274 L278 A279 | L272-H276 HydrophobicContact CB-CB 3.91Å; L272-H276 WeakPolarHBondContact O-CB 3.44Å; P274-H276 VanDerWaalsContact C-N 3.25Å; P274-H276 PolarHBondContact O-N 3.27Å; H276-L278 PolarHBondContact ND1-N 3.38Å; H276-L278 PolarHBondContact O-N 3.17Å; H276-A279 VanDerWaalsContact O-CB 3.22Å; H276-A279 WeakPolarHBondContact O-CB 3.38Å; H276-A279 PolarHBondContact O-N 3.04Å |
| 277 | P | 82.8 | Confident | 75.2 | Confident | 110 Ų | 110 | 75.6 Ų | 75.6 | 71% | 0.714 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -26.3 | -177.6 | -29.7 | 36.2 | 0 | 0 | 0 | 115 | S280 | P277-S280 PolarHBondContact O-OG 3.04Š|
| 278 | L | 82 | Confident | 73.9 | Confident | 46 Ų | 46 | 77.2 Ų | 77.2 | 24% | 0.241 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -8.1 | 177.8 | -52.6 | -176.9 | 0 | 0 | 0 | 114.6 | W269 H276 S280 L281 P292 V295 | W269-L278 HydrophobicContact CH2-CB 4.39Å; W269-L278 WeakPolarHBondContact CH2-O 3.38Å; W269-L278 HydrophobicContact CZ3-CB 4.28Å; W269-L278 WeakPolarHBondContact CZ3-O 3.4Å; H276-L278 PolarHBondContact ND1-N 3.38Å; H276-L278 PolarHBondContact O-N 3.17Å; L278-S280 PolarHBondContact O-N 3.06Å; L278-L281 HydrophobicContact CB-CD1 4.26Å; L278-L281 HydrophobicContact CD2-CD1 4.07Å; L278-L281 VanDerWaalsContact O-CB 3.27Å; L278-L281 WeakPolarHBondContact O-CB 3.29Å; L278-L281 PolarHBondContact O-N 2.63Å; L278-P292 HydrophobicContact CD1-CG 3.74Å; L278-V295 HydrophobicContact CD1-CG2 4.24Å |
| 279 | A | 74.3 | Confident | 73.1 | Confident | 19 Ų | 19 | 79.5 Ų | 79.5 | 16% | 0.157 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -59.7 | -29.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P274 H276 L281 K282 | P274-A279 WeakPolarHBondContact O-CB 3.33Å; H276-A279 VanDerWaalsContact O-CB 3.22Å; H276-A279 WeakPolarHBondContact O-CB 3.38Å; H276-A279 PolarHBondContact O-N 3.04Å; A279-L281 PolarHBondContact O-N 3.26Å; A279-K282 WeakPolarHBondContact O-CB 3.26Å; A279-K282 PolarHBondContact O-N 2.92Å; A279-K282 VanDerWaalsContact O-N 3.09Å |
| 280 | S | 69.4 | Low | 72.7 | Confident | 83 Ų | 83 | 81.1 Ų | 81.1 | 58% | 0.58 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -57.7 | -24.4 | 170.9 | 62.2 | 0 | 0 | 0 | 0 | 114.3 | P277 L278 | P277-S280 PolarHBondContact O-OG 3.04Å; L278-S280 PolarHBondContact O-N 3.06Å |
| 281 | L | 68.7 | Low | 72.5 | Confident | 49 Ų | 49 | 79.6 Ų | 79.6 | 26% | 0.257 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -75.1 | -25.1 | 177.3 | -57.7 | 179.4 | 0 | 0 | 0 | 112.7 | W269 L278 A279 V283 R284 V289 | W269-L281 HydrophobicContact CH2-CB 4.18Å; L278-L281 HydrophobicContact CB-CD1 4.26Å; L278-L281 HydrophobicContact CD2-CD1 4.07Å; L278-L281 VanDerWaalsContact O-CB 3.27Å; L278-L281 WeakPolarHBondContact O-CB 3.29Å; L278-L281 PolarHBondContact O-N 2.63Å; A279-L281 PolarHBondContact O-N 3.26Å; L281-V283 PolarHBondContact O-N 2.9Å; L281-R284 PolarHBondContact O-N 2.85Å; L281-V289 HydrophobicContact CB-CG1 4.38Å |
| 282 | K | 63.4 | Low | 72.2 | Confident | 77 Ų | 77 | 79.8 Ų | 79.8 | 34% | 0.335 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -60.6 | -22.8 | 175.8 | -172.4 | -179.2 | 175.2 | -178.9 | 0 | 112.7 | W269 A279 I509 | W269-K282 HydrophobicContact CB-CD 4.28Å; W269-K282 HydrophobicContact CD2-CB 4.2Å; W269-K282 HydrophobicContact CD2-CD 4.28Å; W269-K282 HydrophobicContact CD2-CG 4.29Å; W269-K282 HydrophobicContact CE3-CB 4.41Å; W269-K282 HydrophobicContact CG-CD 4.09Å; W269-K282 HydrophobicContact CG-CG 4.33Å; W269-K282 HydrophobicContact CZ2-CB 4.35Å; A279-K282 WeakPolarHBondContact O-CB 3.26Å; A279-K282 PolarHBondContact O-N 2.92Å; A279-K282 VanDerWaalsContact O-N 3.09Å; K282-I509 HydrophobicContact CG-CD1 3.99Å |
| 283 | V | 53.8 | Low | 72.1 | Confident | 110 Ų | 110 | 79.3 Ų | 79.3 | 67% | 0.667 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -98.3 | 2.3 | -170.6 | -164.2 | 0 | 0 | 0 | 0 | 112.8 | L281 A285 | L281-V283 PolarHBondContact O-N 2.9Å; V283-A285 PolarHBondContact O-N 3.43Å |
| 284 | R | 53.9 | Low | 72.4 | Confident | 177 Ų | 177 | 82 Ų | 82 | 67% | 0.668 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -75.6 | 94.9 | 173.2 | -64 | -169 | -173.9 | -165.6 | 3.8 | 109.8 | L281 | L281-R284 PolarHBondContact O-N 2.85Š|
| 285 | A | 46.2 | Very low | 72.9 | Confident | 73 Ų | 73 | 78.5 Ų | 78.5 | 60% | 0.603 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 158.1 | -163.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | V283 Q287 | V283-A285 PolarHBondContact O-N 3.43Å; A285-Q287 VanDerWaalsContact C-N 3.34Å; A285-Q287 PolarHBondContact O-N 3.15Å |
| 286 | H | 50.9 | Low | 73.4 | Confident | 189 Ų | 189 | 70.6 Ų | 70.6 | 88% | 0.875 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 1 | 175.3 | -47 | 99.5 | 0 | 0 | 0 | 117.7 | ||
| 287 | Q | 57.4 | Low | 73.9 | Confident | 160 Ų | 160 | 68 Ų | 68 | 75% | 0.748 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -133.7 | 146.5 | 170.7 | -66.4 | -173.6 | -6.2 | 0 | 0 | 111.5 | A285 V289 | A285-Q287 VanDerWaalsContact C-N 3.34Å; A285-Q287 PolarHBondContact O-N 3.15Å; Q287-V289 PolarHBondContact O-N 2.85Å; Q287-V289 VanDerWaalsContact O-N 3.14Å |
| 288 | L | 66.8 | Low | 74.4 | Confident | 40 Ų | 40 | 67.9 Ų | 67.9 | 21% | 0.209 | 36% | 0.356 | C | S | . | . | trans | -77.1 | 99.3 | 176.5 | -175.3 | 68.1 | 0 | 0 | 0 | 109.9 | E262 A265 I509 L512 | E262-L288 HydrophobicContact CB-CD2 4.12Å; E262-L288 HydrophobicContact CG-CD2 3.88Å; A265-L288 HydrophobicContact CB-CD1 3.93Å; A265-L288 HydrophobicContact CB-CD2 4.31Å; A265-L288 HydrophobicContact CB-CG 4.4Å; L288-I509 HydrophobicContact CD1-CG2 4.02Å; L288-L512 HydrophobicContact CB-CD1 3.87Å; L288-L512 HydrophobicContact CB-CG 4.45Å | ||
| 289 | V | 74.4 | Confident | 75.1 | Confident | 52 Ų | 52 | 66.2 Ų | 66.2 | 32% | 0.315 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -85.7 | 126 | 174.1 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | W269 L281 Q287 | W269-V289 HydrophobicContact CZ2-CG1 4.27Å; W269-V289 PolarHBondContact NE1-O 3.1Å; L281-V289 HydrophobicContact CB-CG1 4.38Å; Q287-V289 PolarHBondContact O-N 2.85Å; Q287-V289 VanDerWaalsContact O-N 3.14Å |
| 290 | L | 80.8 | Confident | 76.1 | Confident | 45 Ų | 45 | 65.3 Ų | 65.3 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -95.8 | 147.8 | 173.4 | -63.8 | 169.6 | 0 | 0 | 0 | 110.4 | M1 D261 A265 | M1-L290 HydrophobicContact CE-CB 3.86Å; M1-L290 HydrophobicContact CE-CD1 4.37Å; D261-L290 HydrophobicContact CB-CD1 3.63Å; D261-L290 HydrophobicContact CB-CD2 4.18Å; A265-L290 HydrophobicContact CB-CD2 3.53Å |
| 291 | P | 85.2 | Confident | 77.5 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 151 | 172.8 | -5.2 | 19.7 | 0 | 0 | 0 | 110.9 | M1 H268 W269 L272 C293 V296 | M1-P291 WeakPolarHBondContact CE-O 3.35Å; H268-P291 HydrophobicContact CB-CG 3.95Å; W269-P291 HydrophobicContact CD2-CG 3.71Å; W269-P291 HydrophobicContact CE3-CB 4.46Å; W269-P291 HydrophobicContact CE3-CG 4.03Å; W269-P291 HydrophobicContact CG-CG 4.08Å; W269-P291 HydrophobicContact CH2-CB 4.18Å; W269-P291 HydrophobicContact CH2-CG 4.31Å; W269-P291 HydrophobicContact CZ2-CB 4.26Å; W269-P291 HydrophobicContact CZ2-CG 4.02Å; W269-P291 HydrophobicContact CZ3-CB 4.29Å; W269-P291 HydrophobicContact CZ3-CG 4.32Å; L272-P291 HydrophobicContact CD1-CB 3.74Å; L272-P291 HydrophobicContact CD1-CG 4.19Å; P291-C293 PolarHBondContact O-N 2.89Å; P291-V296 HydrophobicContact CB-CG2 3.84Å; P291-V296 HydrophobicContact CG-CG2 4.05Å; P291-V296 WeakPolarHBondContact O-CG2 3.41Å |
| 292 | P | 86.9 | Confident | 78.8 | Confident | 53 Ų | 53 | 64.2 Ų | 64.2 | 34% | 0.344 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 138.7 | -177.6 | -25.3 | 35 | 0 | 0 | 0 | 113.4 | L278 E294 V295 V296 | L278-P292 HydrophobicContact CD1-CG 3.74Å; P292-E294 VanDerWaalsContact C-N 3.27Å; P292-E294 HydrophobicContact CB-CG 4.47Å; P292-E294 PolarHBondContact O-N 3.07Å; P292-E294 VanDerWaalsContact O-N 3.11Å; P292-V295 HydrophobicContact CB-CG2 4.24Å; P292-V295 WeakPolarHBondContact O-CA 3.15Å; P292-V295 WeakPolarHBondContact O-CB 3.26Å; P292-V295 PolarHBondContact O-N 2.98Å; P292-V296 PolarHBondContact O-N 3.49Å; P292-V296 VanDerWaalsContact O-N 3.09Å |
| 293 | C | 87.2 | Confident | 80.4 | Confident | 20 Ų | 20 | 62 Ų | 62 | 14% | 0.135 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -52.7 | -39.9 | -170.5 | -154 | 0 | 0 | 0 | 0 | 114.3 | M1 G2 P291 V295 V296 I297 | M1-C293 WeakPolarHBondContact CA-SG 3.22Å; M1-C293 HydrophobicContact CE-CB 4.37Å; M1-C293 HydrophobicContact SD-CB 3.77Å; G2-C293 PolarHBondContact O-SG 3.33Å; G2-C293 VanDerWaalsContact O-SG 3.33Å; P291-C293 PolarHBondContact O-N 2.89Å; C293-V295 VanDerWaalsContact C-N 3.3Å; C293-V295 PolarHBondContact O-N 3.36Å; C293-V296 PolarHBondContact O-N 3.39Å; C293-I297 WeakPolarHBondContact O-CB 3.39Å; C293-I297 VanDerWaalsContact O-CG1 3.27Å; C293-I297 WeakPolarHBondContact O-CG1 3.22Å; C293-I297 PolarHBondContact O-N 2.86Å |
| 294 | E | 89.1 | Confident | 82.5 | Confident | 84 Ų | 84 | 56.8 Ų | 56.8 | 39% | 0.393 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.7 | -27.3 | 178.3 | 54.2 | 176.7 | -127.4 | 0 | 0 | 114.1 | Y9 R13 P292 | Y9-E294 HydrophobicContact CD2-CB 3.85Å; Y9-E294 HydrophobicContact CE2-CB 4.1Å; Y9-E294 WeakPolarHBondContact CE2-O 3.28Å; R13-E294 IonicContact CZ-OE1 2.89Å; R13-E294 IonicContact CZ-OE2 2.9Å; R13-E294 VanDerWaalsContact CZ-OE2 3.29Å; R13-E294 IonicContact NH1-OE1 3.8Å; R13-E294 IonicContact NH1-OE2 3.61Å; R13-E294 PolarHBondContact NH1-OE2 3.19Å; R13-E294 IonicContact NH2-OE1 3.69Å; R13-E294 PolarHBondContact NH2-OE1 3.3Å; R13-E294 IonicContact NH2-OE2 3Å; R13-E294 PolarHBondContact NH2-OE2 3.39Å; R13-E294 VanDerWaalsContact NH2-OE2 3.16Å; P292-E294 VanDerWaalsContact C-N 3.27Å; P292-E294 HydrophobicContact CB-CG 4.47Å; P292-E294 PolarHBondContact O-N 3.07Å; P292-E294 VanDerWaalsContact O-N 3.11Å |
| 295 | V | 90.9 | Very high | 84.5 | Confident | 33 Ų | 33 | 50.4 Ų | 50.4 | 20% | 0.2 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -80.9 | -42.9 | 175 | -171.7 | 0 | 0 | 0 | 0 | 109.5 | L272 L278 P292 C293 K298 A299 | L272-V295 HydrophobicContact CD1-CG1 4.02Å; L272-V295 HydrophobicContact CD2-CG1 3.6Å; L272-V295 HydrophobicContact CG-CG1 4.5Å; L278-V295 HydrophobicContact CD1-CG2 4.24Å; P292-V295 HydrophobicContact CB-CG2 4.24Å; P292-V295 WeakPolarHBondContact O-CA 3.15Å; P292-V295 WeakPolarHBondContact O-CB 3.26Å; P292-V295 PolarHBondContact O-N 2.98Å; C293-V295 VanDerWaalsContact C-N 3.3Å; C293-V295 PolarHBondContact O-N 3.36Å; V295-K298 PolarHBondContact O-N 2.84Å; V295-A299 WeakPolarHBondContact O-CB 3.42Å; V295-A299 PolarHBondContact O-N 2.92Å |
| 296 | V | 92.4 | Very high | 86.8 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 4% | 0.036 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 175.5 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | H268 P291 P292 C293 K298 A299 V300 | H268-V296 HydrophobicContact CB-CG1 4.46Å; H268-V296 HydrophobicContact CB-CG2 4.27Å; P291-V296 HydrophobicContact CB-CG2 3.84Å; P291-V296 HydrophobicContact CG-CG2 4.05Å; P291-V296 WeakPolarHBondContact O-CG2 3.41Å; P292-V296 PolarHBondContact O-N 3.49Å; P292-V296 VanDerWaalsContact O-N 3.09Å; C293-V296 PolarHBondContact O-N 3.39Å; V296-K298 VanDerWaalsContact C-N 3.31Å; V296-K298 PolarHBondContact O-N 3.35Å; V296-A299 PolarHBondContact O-N 3.37Å; V296-V300 HydrophobicContact CG1-CG2 3.93Å; V296-V300 WeakPolarHBondContact O-CB 3.44Å; V296-V300 VanDerWaalsContact O-CG2 3.27Å; V296-V300 WeakPolarHBondContact O-CG2 3.36Å; V296-V300 PolarHBondContact O-N 3.19Å |
| 297 | I | 94.9 | Very high | 89 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -54.9 | -46.4 | 179.2 | -78.3 | 165.3 | 0 | 0 | 0 | 111.6 | F6 Y9 L240 F250 L254 C293 S301 | F6-I297 HydrophobicContact CD2-CD1 4.23Å; Y9-I297 HydrophobicContact CD1-CG2 3.73Å; Y9-I297 HydrophobicContact CD2-CB 4.18Å; Y9-I297 HydrophobicContact CD2-CD1 4.01Å; Y9-I297 HydrophobicContact CD2-CG2 3.91Å; Y9-I297 HydrophobicContact CE1-CG2 3.59Å; Y9-I297 HydrophobicContact CE2-CB 4.17Å; Y9-I297 HydrophobicContact CE2-CG2 3.76Å; Y9-I297 HydrophobicContact CG-CB 4.46Å; Y9-I297 HydrophobicContact CG-CD1 3.83Å; Y9-I297 HydrophobicContact CG-CG2 3.88Å; L240-I297 HydrophobicContact CD1-CG2 4.49Å; L240-I297 HydrophobicContact CD2-CG2 4.08Å; F250-I297 WeakPolarHBondContact CE2-O 3.37Å; F250-I297 HydrophobicContact CZ-CG2 4.25Å; L254-I297 HydrophobicContact CD1-CG1 4.35Å; L254-I297 HydrophobicContact CD2-CB 4.39Å; L254-I297 HydrophobicContact CD2-CG1 3.77Å; C293-I297 WeakPolarHBondContact O-CB 3.39Å; C293-I297 VanDerWaalsContact O-CG1 3.27Å; C293-I297 WeakPolarHBondContact O-CG1 3.22Å; C293-I297 PolarHBondContact O-N 2.86Å; I297-S301 PolarHBondContact O-N 3.43Å; I297-S301 VanDerWaalsContact O-N 3.12Å |
| 298 | K | 94.6 | Very high | 90.5 | Very high | 108 Ų | 108 | 45.7 Ų | 45.7 | 47% | 0.47 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69.2 | -47.7 | 178.2 | -178.7 | 177.4 | 169.2 | -179 | 0 | 112.2 | V295 V296 V300 S301 E302 | V295-K298 PolarHBondContact O-N 2.84Å; V296-K298 VanDerWaalsContact C-N 3.31Å; V296-K298 PolarHBondContact O-N 3.35Å; K298-V300 VanDerWaalsContact C-N 3.31Å; K298-V300 PolarHBondContact O-N 3.31Å; K298-S301 PolarHBondContact O-N 3.49Å; K298-S301 VanDerWaalsContact O-N 3.16Å; K298-S301 PolarHBondContact O-OG 3.38Å; K298-E302 VanDerWaalsContact CE-CD 3.44Å; K298-E302 WeakPolarHBondContact CE-OE1 3.46Å; K298-E302 IonicContact NZ-OE1 2.69Å; K298-E302 PolarHBondContact NZ-OE1 3.12Å; K298-E302 WeakPolarHBondContact O-CG 2.98Å; K298-E302 PolarHBondContact O-N 2.86Å |
| 299 | A | 95.2 | Very high | 91.7 | Very high | 11 Ų | 11 | 48 Ų | 48 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.1 | -38.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L271 L272 V295 V296 Y303 | L271-A299 HydrophobicContact CB-CB 3.97Å; L271-A299 HydrophobicContact CD1-CB 4.15Å; L272-A299 HydrophobicContact CD2-CB 3.81Å; V295-A299 WeakPolarHBondContact O-CB 3.42Å; V295-A299 PolarHBondContact O-N 2.92Å; V296-A299 PolarHBondContact O-N 3.37Å; A299-Y303 WeakPolarHBondContact O-CB 3.41Å; A299-Y303 PolarHBondContact O-N 3.22Å |
| 300 | V | 96.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71 | -33.6 | 175.6 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | F250 L253 L254 F267 L271 V296 K298 V304 | F250-V300 HydrophobicContact CD2-CG1 3.95Å; F250-V300 HydrophobicContact CE2-CB 4.45Å; F250-V300 HydrophobicContact CE2-CG1 4.31Å; L253-V300 HydrophobicContact CB-CG1 3.66Å; L254-V300 HydrophobicContact CD2-CB 4.21Å; L254-V300 HydrophobicContact CD2-CG1 4.31Å; F267-V300 HydrophobicContact CE1-CG2 4.19Å; L271-V300 HydrophobicContact CD1-CG2 3.76Å; V296-V300 HydrophobicContact CG1-CG2 3.93Å; V296-V300 WeakPolarHBondContact O-CB 3.44Å; V296-V300 VanDerWaalsContact O-CG2 3.27Å; V296-V300 WeakPolarHBondContact O-CG2 3.36Å; V296-V300 PolarHBondContact O-N 3.19Å; K298-V300 VanDerWaalsContact C-N 3.31Å; K298-V300 PolarHBondContact O-N 3.31Å; V300-V304 HydrophobicContact CG1-CG2 4.24Å; V300-V304 WeakPolarHBondContact O-CB 3.47Å; V300-V304 VanDerWaalsContact O-CG2 3.32Å; V300-V304 WeakPolarHBondContact O-CG2 3.48Å; V300-V304 PolarHBondContact O-N 2.82Å |
| 301 | S | 96.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.1 | -38.6 | 175.6 | 77 | 0 | 0 | 0 | 0 | 112.7 | L240 I297 K298 S305 | L240-S301 WeakPolarHBondContact CD2-OG 3.47Å; L240-S301 WeakPolarHBondContact O-CB 3.39Å; L240-S301 PolarHBondContact O-OG 3.4Å; I297-S301 PolarHBondContact O-N 3.43Å; I297-S301 VanDerWaalsContact O-N 3.12Å; K298-S301 PolarHBondContact O-N 3.49Å; K298-S301 VanDerWaalsContact O-N 3.16Å; K298-S301 PolarHBondContact O-OG 3.38Å; S301-S305 VanDerWaalsContact O-CB 3.26Å; S301-S305 WeakPolarHBondContact O-CB 3.32Å; S301-S305 PolarHBondContact O-N 3.5Å; S301-S305 PolarHBondContact O-OG 3Å |
| 302 | E | 96.9 | Very high | 93.3 | Very high | 108 Ų | 108 | 51.6 Ų | 51.6 | 51% | 0.505 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 173 | -71.3 | 174.3 | 158.4 | 0 | 0 | 111 | K298 S305 S306 | K298-E302 VanDerWaalsContact CE-CD 3.44Å; K298-E302 WeakPolarHBondContact CE-OE1 3.46Å; K298-E302 IonicContact NZ-OE1 2.69Å; K298-E302 PolarHBondContact NZ-OE1 3.12Å; K298-E302 WeakPolarHBondContact O-CG 2.98Å; K298-E302 PolarHBondContact O-N 2.86Å; E302-S305 PolarHBondContact O-N 3.45Å; E302-S306 PolarHBondContact O-N 3.18Å |
| 303 | Y | 97.1 | Very high | 93.7 | Very high | 30 Ų | 30 | 50.7 Ų | 50.7 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.9 | -56.8 | 174 | 177 | -100.8 | 0 | 0 | 0 | 112.2 | L253 F267 L271 A299 S305 S306 I307 D319 V320 | L253-Y303 HydrophobicContact CD1-CD1 4.16Å; L253-Y303 HydrophobicContact CD1-CE1 3.99Å; F267-Y303 HydrophobicContact CE2-CD1 4.14Å; F267-Y303 HydrophobicContact CE2-CD2 4.33Å; F267-Y303 AromaticContact CE2-CE1 3.91Å; F267-Y303 HydrophobicContact CE2-CE1 3.91Å; F267-Y303 HydrophobicContact CE2-CE2 4.11Å; F267-Y303 HydrophobicContact CE2-CG 4.33Å; F267-Y303 AromaticContact CE2-CZ 3.89Å; F267-Y303 AromaticContact CZ-CD1 3.63Å; F267-Y303 HydrophobicContact CZ-CD1 3.63Å; F267-Y303 HydrophobicContact CZ-CD2 4.49Å; F267-Y303 AromaticContact CZ-CE1 3.7Å; F267-Y303 HydrophobicContact CZ-CE1 3.7Å; F267-Y303 HydrophobicContact CZ-CG 4.04Å; L271-Y303 HydrophobicContact CD2-CD2 3.66Å; L271-Y303 HydrophobicContact CD2-CE2 4.44Å; L271-Y303 HydrophobicContact CD2-CG 3.92Å; A299-Y303 WeakPolarHBondContact O-CB 3.41Å; A299-Y303 PolarHBondContact O-N 3.22Å; Y303-S305 VanDerWaalsContact C-N 3.25Å; Y303-S305 PolarHBondContact O-N 3.23Å; Y303-S306 WeakPolarHBondContact O-CB 3.35Å; Y303-S306 PolarHBondContact O-N 3.07Å; Y303-S306 PolarHBondContact O-OG 3.34Å; Y303-I307 HydrophobicContact CD1-CD1 4.26Å; Y303-I307 HydrophobicContact CE1-CD1 3.86Å; Y303-D319 VanDerWaalsContact CE2-OD2 3.26Å; Y303-D319 WeakPolarHBondContact CE2-OD2 3.28Å; Y303-D319 PolarHBondContact OH-OD2 3.17Å; Y303-V320 HydrophobicContact CE1-CG2 4.09Å |
| 304 | V | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -33.4 | -176.2 | 173 | 0 | 0 | 0 | 0 | 111.8 | L242 H246 L249 L253 V300 S306 I307 | L242-V304 HydrophobicContact CD2-CB 4.29Å; L242-V304 HydrophobicContact CD2-CG1 4.18Å; H246-V304 HydrophobicContact CB-CG1 3.77Å; L249-V304 HydrophobicContact CB-CG1 4.39Å; L249-V304 HydrophobicContact CD2-CG1 4.1Å; L249-V304 HydrophobicContact CG-CG1 4.16Å; L249-V304 HydrophobicContact CG-CG2 4.15Å; L253-V304 HydrophobicContact CD1-CG2 3.87Å; V300-V304 HydrophobicContact CG1-CG2 4.24Å; V300-V304 WeakPolarHBondContact O-CB 3.47Å; V300-V304 VanDerWaalsContact O-CG2 3.32Å; V300-V304 WeakPolarHBondContact O-CG2 3.48Å; V300-V304 PolarHBondContact O-N 2.82Å; V304-S306 PolarHBondContact O-N 2.97Å; V304-I307 PolarHBondContact O-N 2.8Å |
| 305 | S | 96.1 | Very high | 94.4 | Very high | 44 Ų | 44 | 52.5 Ų | 52.5 | 31% | 0.308 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -71 | -14.9 | 176.9 | -57.3 | 0 | 0 | 0 | 0 | 113.9 | G241 L242 S301 E302 Y303 | G241-S305 PolarHBondContact O-OG 3.05Å; L242-S305 WeakPolarHBondContact CD2-OG 3.45Å; S301-S305 VanDerWaalsContact O-CB 3.26Å; S301-S305 WeakPolarHBondContact O-CB 3.32Å; S301-S305 PolarHBondContact O-N 3.5Å; S301-S305 PolarHBondContact O-OG 3Å; E302-S305 PolarHBondContact O-N 3.45Å; Y303-S305 VanDerWaalsContact C-N 3.25Å; Y303-S305 PolarHBondContact O-N 3.23Å |
| 306 | S | 95.9 | Very high | 94.6 | Very high | 82 Ų | 82 | 51.4 Ų | 51.4 | 57% | 0.573 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -86.3 | -13 | 175.3 | 78 | 0 | 0 | 0 | 0 | 114 | E302 Y303 V304 K308 | E302-S306 PolarHBondContact O-N 3.18Å; Y303-S306 WeakPolarHBondContact O-CB 3.35Å; Y303-S306 PolarHBondContact O-N 3.07Å; Y303-S306 PolarHBondContact O-OG 3.34Å; V304-S306 PolarHBondContact O-N 2.97Å; S306-K308 PolarHBondContact O-N 3.2Å |
| 307 | I | 95.8 | Very high | 94.8 | Very high | 29 Ų | 29 | 51.1 Ų | 51.1 | 15% | 0.149 | 28% | 0.281 | C | S | . | . | trans | -73.7 | 122.7 | -174.8 | -61.6 | 174.3 | 0 | 0 | 0 | 110.3 | L249 Y303 V304 D309 L310 I316 | L249-I307 HydrophobicContact CD2-CD1 3.71Å; Y303-I307 HydrophobicContact CD1-CD1 4.26Å; Y303-I307 HydrophobicContact CE1-CD1 3.86Å; V304-I307 PolarHBondContact O-N 2.8Å; I307-D309 WeakPolarHBondContact CG2-O 3.22Å; I307-L310 HydrophobicContact CB-CD2 4.15Å; I307-L310 HydrophobicContact CG2-CD2 3.94Å; I307-I316 HydrophobicContact CD1-CD1 4.34Å; I307-I316 HydrophobicContact CD1-CG1 4.26Å; I307-I316 HydrophobicContact CD1-CG2 4.1Å; I307-I316 HydrophobicContact CG2-CD1 4Å; I307-I316 HydrophobicContact CG2-CG1 4.17Å | ||
| 308 | K | 90.1 | Very high | 94.7 | Very high | 212 Ų | 212 | 58.2 Ų | 58.2 | 92% | 0.922 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -78.7 | -37.1 | -178.3 | -63.8 | -177.6 | -179.3 | 179.1 | 0 | 113.7 | S306 | S306-K308 PolarHBondContact O-N 3.2Š|
| 309 | D | 91.8 | Very high | 94.6 | Very high | 88 Ų | 88 | 55.8 Ų | 55.8 | 47% | 0.471 | 30% | 0.3 | S | S | . | . | trans | -125.9 | 113.3 | 180 | 176.1 | 3.7 | 0 | 0 | 0 | 108.9 | I307 G311 N312 | I307-D309 WeakPolarHBondContact CG2-O 3.22Å; D309-G311 PolarHBondContact OD1-N 2.83Å; D309-N312 PolarHBondContact OD1-N 2.92Å; D309-N312 VanDerWaalsContact OD2-CB 3.29Å; D309-N312 WeakPolarHBondContact OD2-CB 3.14Å | ||
| 310 | L | 90.5 | Very high | 94.6 | Very high | 40 Ų | 40 | 55.4 Ų | 55.4 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -88.9 | -14.1 | -178 | -61.1 | 162.7 | 0 | 0 | 0 | 112.5 | Q245 L249 I307 | Q245-L310 HydrophobicContact CB-CD1 4.38Å; Q245-L310 HydrophobicContact CG-CD1 3.91Å; L249-L310 HydrophobicContact CD2-CD2 3.72Å; I307-L310 HydrophobicContact CB-CD2 4.15Å; I307-L310 HydrophobicContact CG2-CD2 3.94Å |
| 311 | G | 89.3 | Confident | 94.5 | Very high | 65 Ų | 65 | 55.7 Ų | 55.7 | 67% | 0.67 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -80.8 | -28.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D309 L313 | D309-G311 PolarHBondContact OD1-N 2.83Å; G311-L313 PolarHBondContact O-N 3.16Å |
| 312 | N | 94.1 | Very high | 94.1 | Very high | 68 Ų | 68 | 61.5 Ų | 61.5 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | trans | -80.8 | 64.4 | -178.7 | -162.8 | -32.4 | 0 | 0 | 0 | 112.6 | D309 D314 T315 I316 | D309-N312 PolarHBondContact OD1-N 2.92Å; D309-N312 VanDerWaalsContact OD2-CB 3.29Å; D309-N312 WeakPolarHBondContact OD2-CB 3.14Å; N312-D314 PolarHBondContact O-N 3.35Å; N312-T315 VanDerWaalsContact CG-OG1 3.23Å; N312-T315 PolarHBondContact ND2-OG1 3.41Å; N312-T315 PolarHBondContact O-N 2.73Å; N312-T315 VanDerWaalsContact OD1-CB 3.23Å; N312-T315 WeakPolarHBondContact OD1-CB 3.46Å; N312-T315 PolarHBondContact OD1-N 3.28Å; N312-T315 VanDerWaalsContact OD1-N 3.12Å; N312-T315 PolarHBondContact OD1-OG1 3.09Å; N312-I316 PolarHBondContact O-N 2.81Å | ||
| 313 | L | 95.9 | Very high | 93.5 | Very high | 34 Ų | 34 | 61 Ų | 61 | 18% | 0.178 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.5 | -31.6 | -179.1 | -62 | -174.5 | 0 | 0 | 0 | 112.8 | G311 T315 I316 A317 F335 K336 V339 | G311-L313 PolarHBondContact O-N 3.16Å; L313-T315 VanDerWaalsContact C-N 3.35Å; L313-T315 PolarHBondContact O-N 3.45Å; L313-I316 HydrophobicContact CD2-CD1 4.26Å; L313-I316 PolarHBondContact O-N 2.96Å; L313-A317 WeakPolarHBondContact O-CB 3.41Å; L313-A317 PolarHBondContact O-N 2.92Å; L313-F335 HydrophobicContact CB-CE1 4.04Å; L313-F335 HydrophobicContact CD2-CE1 4.19Å; L313-F335 HydrophobicContact CD2-CZ 4.31Å; L313-K336 HydrophobicContact CB-CG 4.23Å; L313-K336 HydrophobicContact CD1-CG 4.19Å; L313-V339 HydrophobicContact CD1-CB 4.37Å; L313-V339 HydrophobicContact CD1-CG1 4.19Å; L313-V339 HydrophobicContact CD2-CG1 4.12Å; L313-V339 HydrophobicContact CD2-CG2 4.42Å |
| 314 | D | 93.9 | Very high | 92.8 | Very high | 77 Ų | 77 | 60.9 Ų | 60.9 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.7 | -29.8 | 176.1 | -72.3 | -83.7 | 0 | 0 | 0 | 113.9 | N312 R318 K336 | N312-D314 PolarHBondContact O-N 3.35Å; D314-R318 WeakPolarHBondContact O-CB 3.38Å; D314-R318 WeakPolarHBondContact O-CG 3.35Å; D314-R318 PolarHBondContact O-N 3.3Å; D314-R318 PolarHBondContact O-NE 3.06Å; D314-K336 WeakPolarHBondContact OD1-CE 3.45Å; D314-K336 IonicContact OD1-NZ 3.21Å; D314-K336 PolarHBondContact OD1-NZ 3.15Å; D314-K336 VanDerWaalsContact OD2-CE 3.31Å; D314-K336 WeakPolarHBondContact OD2-CE 3.44Å; D314-K336 IonicContact OD2-NZ 3.45Å; D314-K336 PolarHBondContact OD2-NZ 2.89Å |
| 315 | T | 95.1 | Very high | 91.6 | Very high | 64 Ų | 64 | 67 Ų | 67 | 39% | 0.393 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -79.7 | -39.1 | 174.4 | -58.5 | 0 | 0 | 0 | 0 | 111 | N312 L313 R318 D319 | N312-T315 VanDerWaalsContact CG-OG1 3.23Å; N312-T315 PolarHBondContact ND2-OG1 3.41Å; N312-T315 PolarHBondContact O-N 2.73Å; N312-T315 VanDerWaalsContact OD1-CB 3.23Å; N312-T315 WeakPolarHBondContact OD1-CB 3.46Å; N312-T315 PolarHBondContact OD1-N 3.28Å; N312-T315 VanDerWaalsContact OD1-N 3.12Å; N312-T315 PolarHBondContact OD1-OG1 3.09Å; L313-T315 VanDerWaalsContact C-N 3.35Å; L313-T315 PolarHBondContact O-N 3.45Å; T315-R318 PolarHBondContact O-N 3.41Å; T315-R318 PolarHBondContact OG1-NH2 3.07Å; T315-D319 PolarHBondContact O-N 3.08Å |
| 316 | I | 96.8 | Very high | 90.8 | Very high | 10 Ų | 10 | 67.2 Ų | 67.2 | 5% | 0.051 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 174.6 | -58.6 | 161.8 | 0 | 0 | 0 | 110.3 | L249 I307 N312 L313 R318 D319 V320 F335 | L249-I316 HydrophobicContact CD1-CG2 4.28Å; L249-I316 HydrophobicContact CD2-CD1 3.93Å; I307-I316 HydrophobicContact CD1-CD1 4.34Å; I307-I316 HydrophobicContact CD1-CG1 4.26Å; I307-I316 HydrophobicContact CD1-CG2 4.1Å; I307-I316 HydrophobicContact CG2-CD1 4Å; I307-I316 HydrophobicContact CG2-CG1 4.17Å; N312-I316 PolarHBondContact O-N 2.81Å; L313-I316 HydrophobicContact CD2-CD1 4.26Å; L313-I316 PolarHBondContact O-N 2.96Å; I316-R318 PolarHBondContact O-N 2.94Å; I316-D319 PolarHBondContact O-N 3.26Å; I316-D319 VanDerWaalsContact O-N 3.12Å; I316-V320 HydrophobicContact CG2-CG2 4.09Å; I316-V320 WeakPolarHBondContact O-CB 3.43Å; I316-V320 VanDerWaalsContact O-CG2 3.27Å; I316-V320 WeakPolarHBondContact O-CG2 3.45Å; I316-V320 PolarHBondContact O-N 3.26Å; I316-F335 HydrophobicContact CB-CE1 4.45Å; I316-F335 HydrophobicContact CB-CZ 4.2Å; I316-F335 HydrophobicContact CG2-CE1 4.41Å; I316-F335 HydrophobicContact CG2-CE2 4.48Å; I316-F335 HydrophobicContact CG2-CZ 3.72Å |
| 317 | A | 95.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64 | -38 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L313 D319 V320 F321 V332 F335 | L313-A317 WeakPolarHBondContact O-CB 3.41Å; L313-A317 PolarHBondContact O-N 2.92Å; A317-D319 VanDerWaalsContact C-N 3.32Å; A317-D319 PolarHBondContact O-N 3.11Å; A317-V320 PolarHBondContact O-N 3.05Å; A317-F321 HydrophobicContact CB-CD2 4.29Å; A317-F321 HydrophobicContact CB-CE2 4.4Å; A317-F321 WeakPolarHBondContact O-CB 3.47Å; A317-F321 WeakPolarHBondContact O-CD2 3.3Å; A317-F321 PolarHBondContact O-N 3.49Å; A317-V332 HydrophobicContact CB-CB 4.31Å; A317-V332 HydrophobicContact CB-CG1 4.04Å; A317-V332 HydrophobicContact CB-CG2 3.85Å; A317-F335 HydrophobicContact CB-CD1 3.59Å; A317-F335 HydrophobicContact CB-CE1 3.84Å; A317-F335 HydrophobicContact CB-CG 4.4Å |
| 318 | R | 92.8 | Very high | 89.7 | Confident | 150 Ų | 150 | 70.6 Ų | 70.6 | 57% | 0.566 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.8 | -38.6 | 172.8 | -78.1 | -179.8 | -63.5 | 161.8 | 2.8 | 112.2 | D314 T315 I316 K322 | D314-R318 WeakPolarHBondContact O-CB 3.38Å; D314-R318 WeakPolarHBondContact O-CG 3.35Å; D314-R318 PolarHBondContact O-N 3.3Å; D314-R318 PolarHBondContact O-NE 3.06Å; T315-R318 PolarHBondContact O-N 3.41Å; T315-R318 PolarHBondContact OG1-NH2 3.07Å; I316-R318 PolarHBondContact O-N 2.94Å; R318-K322 WeakPolarHBondContact O-CB 3.35Å; R318-K322 PolarHBondContact O-N 3.06Å; R318-K322 VanDerWaalsContact O-N 3.08Å |
| 319 | D | 93.8 | Very high | 89.6 | Confident | 57 Ų | 57 | 68.1 Ų | 68.1 | 31% | 0.305 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -73.2 | -43.1 | 177.1 | -174 | 63.8 | 0 | 0 | 0 | 112.7 | Y303 T315 I316 A317 F321 K322 | Y303-D319 VanDerWaalsContact CE2-OD2 3.26Å; Y303-D319 WeakPolarHBondContact CE2-OD2 3.28Å; Y303-D319 PolarHBondContact OH-OD2 3.17Å; T315-D319 PolarHBondContact O-N 3.08Å; I316-D319 PolarHBondContact O-N 3.26Å; I316-D319 VanDerWaalsContact O-N 3.12Å; A317-D319 VanDerWaalsContact C-N 3.32Å; A317-D319 PolarHBondContact O-N 3.11Å; D319-F321 PolarHBondContact O-N 3.35Å; D319-K322 WeakPolarHBondContact O-CD 3.49Å; D319-K322 WeakPolarHBondContact O-CE 3.4Å; D319-K322 WeakPolarHBondContact O-CG 3.42Å; D319-K322 IonicContact OD1-NZ 2.65Å; D319-K322 PolarHBondContact OD1-NZ 3.33Å; D319-K322 IonicContact OD2-NZ 2.69Å |
| 320 | V | 94.9 | Very high | 89.5 | Confident | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.024 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 175.6 | 170 | 0 | 0 | 0 | 0 | 110.9 | L253 L264 F267 Y303 I316 A317 | L253-V320 HydrophobicContact CD1-CG2 4.27Å; L253-V320 HydrophobicContact CD2-CB 4.48Å; L253-V320 HydrophobicContact CD2-CG1 3.84Å; L253-V320 HydrophobicContact CD2-CG2 3.8Å; L264-V320 HydrophobicContact CD2-CG1 4.06Å; F267-V320 HydrophobicContact CB-CG1 4.16Å; F267-V320 HydrophobicContact CD1-CG1 4.12Å; F267-V320 HydrophobicContact CD2-CB 4.15Å; F267-V320 HydrophobicContact CD2-CG1 3.97Å; F267-V320 HydrophobicContact CD2-CG2 4.18Å; F267-V320 HydrophobicContact CE1-CG1 4.5Å; F267-V320 HydrophobicContact CE2-CB 4.3Å; F267-V320 HydrophobicContact CE2-CG1 4.36Å; F267-V320 HydrophobicContact CE2-CG2 3.82Å; F267-V320 HydrophobicContact CG-CG1 3.82Å; F267-V320 HydrophobicContact CZ-CG2 4.04Å; Y303-V320 HydrophobicContact CE1-CG2 4.09Å; I316-V320 HydrophobicContact CG2-CG2 4.09Å; I316-V320 WeakPolarHBondContact O-CB 3.43Å; I316-V320 VanDerWaalsContact O-CG2 3.27Å; I316-V320 WeakPolarHBondContact O-CG2 3.45Å; I316-V320 PolarHBondContact O-N 3.26Å; A317-V320 PolarHBondContact O-N 3.05Å |
| 321 | F | 93.9 | Very high | 89.5 | Confident | 5 Ų | 5 | 65.7 Ų | 65.7 | 2% | 0.022 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 10.2 | -175.6 | -57.2 | -57.3 | 0 | 0 | 0 | 114.9 | L259 L264 A317 D319 Q323 S324 M328 K331 V332 F335 | L259-F321 HydrophobicContact CD1-CE1 4.4Å; L259-F321 HydrophobicContact CD1-CZ 3.94Å; L259-F321 HydrophobicContact CD2-CZ 4.07Å; L264-F321 HydrophobicContact CD2-CE1 4.43Å; A317-F321 HydrophobicContact CB-CD2 4.29Å; A317-F321 HydrophobicContact CB-CE2 4.4Å; A317-F321 WeakPolarHBondContact O-CB 3.47Å; A317-F321 WeakPolarHBondContact O-CD2 3.3Å; A317-F321 PolarHBondContact O-N 3.49Å; D319-F321 PolarHBondContact O-N 3.35Å; F321-Q323 PolarHBondContact O-N 3.43Å; F321-S324 VanDerWaalsContact O-CB 3.24Å; F321-S324 WeakPolarHBondContact O-CB 3.35Å; F321-S324 PolarHBondContact O-N 2.9Å; F321-M328 HydrophobicContact CB-CG 4.21Å; F321-K331 HydrophobicContact CD1-CB 4.1Å; F321-K331 HydrophobicContact CD1-CD 3.82Å; F321-K331 HydrophobicContact CD2-CB 4.01Å; F321-K331 HydrophobicContact CE1-CB 3.9Å; F321-K331 HydrophobicContact CE1-CD 3.94Å; F321-K331 HydrophobicContact CE1-CG 4.33Å; F321-K331 HydrophobicContact CE2-CB 3.81Å; F321-K331 WeakPolarHBondContact CE2-O 3.38Å; F321-K331 HydrophobicContact CG-CB 4.16Å; F321-K331 HydrophobicContact CG-CD 4.42Å; F321-K331 HydrophobicContact CZ-CB 3.76Å; F321-V332 HydrophobicContact CD2-CG2 4.11Å; F321-F335 HydrophobicContact CE2-CB 3.88Å; F321-F335 HydrophobicContact CE2-CG 4.39Å; F321-F335 HydrophobicContact CZ-CB 4.18Å |
| 322 | K | 89.8 | Confident | 89.8 | Confident | 124 Ų | 124 | 63.8 Ų | 63.8 | 54% | 0.539 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -19.3 | 178.8 | 71.9 | -163.4 | 159.6 | -166 | 0 | 115.4 | R318 D319 | R318-K322 WeakPolarHBondContact O-CB 3.35Å; R318-K322 PolarHBondContact O-N 3.06Å; R318-K322 VanDerWaalsContact O-N 3.08Å; D319-K322 WeakPolarHBondContact O-CD 3.49Å; D319-K322 WeakPolarHBondContact O-CE 3.4Å; D319-K322 WeakPolarHBondContact O-CG 3.42Å; D319-K322 IonicContact OD1-NZ 2.65Å; D319-K322 PolarHBondContact OD1-NZ 3.33Å; D319-K322 IonicContact OD2-NZ 2.69Å |
| 323 | Q | 84 | Confident | 89.8 | Confident | 99 Ų | 99 | 65.4 Ų | 65.4 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 7.8 | 175.4 | -57.3 | -169.4 | -0.8 | 0 | 0 | 113.2 | A266 F321 Q325 | A266-Q323 HydrophobicContact CB-CB 4.45Å; F321-Q323 PolarHBondContact O-N 3.43Å; Q323-Q325 PolarHBondContact O-N 3.01Å |
| 324 | S | 81.4 | Confident | 89.7 | Confident | 27 Ų | 27 | 67.4 Ų | 67.4 | 19% | 0.189 | 32% | 0.321 | C | S | . | . | trans | -81.2 | 116 | 179.8 | -165.7 | 0 | 0 | 0 | 0 | 110.9 | F321 S326 K331 | F321-S324 VanDerWaalsContact O-CB 3.24Å; F321-S324 WeakPolarHBondContact O-CB 3.35Å; F321-S324 PolarHBondContact O-N 2.9Å; S324-S326 VanDerWaalsContact C-N 3.27Å; S324-S326 PolarHBondContact O-N 2.94Å; S324-S326 PolarHBondContact OG-O 3.08Å; S324-K331 WeakPolarHBondContact OG-CD 3.36Å; S324-K331 WeakPolarHBondContact OG-CE 3.34Å; S324-K331 PolarHBondContact OG-NZ 2.92Å | ||
| 325 | Q | 71.6 | Confident | 89.9 | Confident | 129 Ų | 129 | 63.7 Ų | 63.7 | 60% | 0.603 | 30% | 0.302 | S | S | * | . | trans | -76.4 | -8.1 | -178.3 | -62.3 | -175.3 | -36.6 | 0 | 0 | 114.2 | Q323 N508 | Q323-Q325 PolarHBondContact O-N 3.01Å; Q325-N508 PolarHBondContact NE2-OD1 3.05Å | ||
| 326 | S | 79.8 | Confident | 90 | Very high | 47 Ų | 47 | 64 Ų | 64 | 33% | 0.329 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -157.7 | 166.3 | 179.7 | 65.9 | 0 | 0 | 0 | 0 | 112.9 | S324 M328 | S324-S326 VanDerWaalsContact C-N 3.27Å; S324-S326 PolarHBondContact O-N 2.94Å; S324-S326 PolarHBondContact OG-O 3.08Å; S326-M328 VanDerWaalsContact C-N 3.28Å; S326-M328 PolarHBondContact O-N 3.09Å; S326-M328 VanDerWaalsContact O-N 3.17Å |
| 327 | R | 82.3 | Confident | 89.9 | Confident | 90 Ų | 90 | 68 Ų | 68 | 34% | 0.34 | 32% | 0.315 | S | S | . | . | trans | 49.8 | 40 | 170.8 | -59.6 | -179.9 | 66.8 | -179.8 | 1.9 | 114.4 | E329 D330 K331 | R327-E329 VanDerWaalsContact C-N 3.33Å; R327-E329 PolarHBondContact O-N 2.94Å; R327-D330 HydrophobicContact CB-CB 4.31Å; R327-D330 IonicContact CZ-OD2 2.77Å; R327-D330 IonicContact NE-OD2 2.69Å; R327-D330 PolarHBondContact NE-OD2 2.98Å; R327-D330 IonicContact NH2-OD2 2.74Å; R327-D330 PolarHBondContact NH2-OD2 3.45Å; R327-K331 WeakPolarHBondContact O-CG 3.42Å; R327-K331 PolarHBondContact O-N 3.23Å; R327-K331 VanDerWaalsContact O-N 3.15Å | ||
| 328 | M | 86.1 | Confident | 89.9 | Confident | 93 Ų | 93 | 68 Ų | 68 | 46% | 0.458 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | -175.5 | -171.1 | 174.1 | 68.8 | 0 | 0 | 112 | F321 S326 K331 V332 | F321-M328 HydrophobicContact CB-CG 4.21Å; S326-M328 VanDerWaalsContact C-N 3.28Å; S326-M328 PolarHBondContact O-N 3.09Å; S326-M328 VanDerWaalsContact O-N 3.17Å; M328-K331 PolarHBondContact O-N 2.88Å; M328-V332 HydrophobicContact CG-CG2 4.27Å; M328-V332 WeakPolarHBondContact O-CG2 3.38Å; M328-V332 PolarHBondContact O-N 3.36Å |
| 329 | E | 88.1 | Confident | 90.1 | Very high | 160 Ų | 160 | 61.5 Ų | 61.5 | 75% | 0.748 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.5 | -51.8 | 179.7 | -69.5 | 163.7 | -168.5 | 0 | 0 | 111.8 | R327 K331 V332 E333 | R327-E329 VanDerWaalsContact C-N 3.33Å; R327-E329 PolarHBondContact O-N 2.94Å; E329-K331 PolarHBondContact O-N 3.47Å; E329-V332 PolarHBondContact O-N 2.72Å; E329-V332 VanDerWaalsContact O-N 3.15Å; E329-E333 PolarHBondContact O-N 2.85Å |
| 330 | D | 89.4 | Confident | 90.1 | Very high | 63 Ų | 63 | 65.4 Ų | 65.4 | 34% | 0.337 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -50.5 | -43.2 | 171.8 | -58.4 | 16.8 | 0 | 0 | 0 | 112.1 | R327 E333 R334 | R327-D330 HydrophobicContact CB-CB 4.31Å; R327-D330 IonicContact CZ-OD2 2.77Å; R327-D330 IonicContact NE-OD2 2.69Å; R327-D330 PolarHBondContact NE-OD2 2.98Å; R327-D330 IonicContact NH2-OD2 2.74Å; R327-D330 PolarHBondContact NH2-OD2 3.45Å; D330-E333 PolarHBondContact O-N 2.73Å; D330-R334 WeakPolarHBondContact O-CB 3.24Å; D330-R334 WeakPolarHBondContact O-CG 3.45Å; D330-R334 PolarHBondContact O-N 2.9Å |
| 331 | K | 91.9 | Very high | 90 | Very high | 14 Ų | 14 | 66.6 Ų | 66.6 | 6% | 0.061 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.5 | -40.6 | -178.8 | -73.9 | -177.7 | -180 | -158 | 0 | 112.5 | D263 F321 S324 R327 M328 E329 E333 F335 | D263-K331 HydrophobicContact CB-CD 4.31Å; D263-K331 HydrophobicContact CB-CG 4.31Å; D263-K331 PolarHBondContact O-NZ 3.37Å; D263-K331 WeakPolarHBondContact OD1-CE 3.25Å; D263-K331 IonicContact OD1-NZ 3.16Å; F321-K331 HydrophobicContact CD1-CB 4.1Å; F321-K331 HydrophobicContact CD1-CD 3.82Å; F321-K331 HydrophobicContact CD2-CB 4.01Å; F321-K331 HydrophobicContact CE1-CB 3.9Å; F321-K331 HydrophobicContact CE1-CD 3.94Å; F321-K331 HydrophobicContact CE1-CG 4.33Å; F321-K331 HydrophobicContact CE2-CB 3.81Å; F321-K331 WeakPolarHBondContact CE2-O 3.38Å; F321-K331 HydrophobicContact CG-CB 4.16Å; F321-K331 HydrophobicContact CG-CD 4.42Å; F321-K331 HydrophobicContact CZ-CB 3.76Å; S324-K331 WeakPolarHBondContact OG-CD 3.36Å; S324-K331 WeakPolarHBondContact OG-CE 3.34Å; S324-K331 PolarHBondContact OG-NZ 2.92Å; R327-K331 WeakPolarHBondContact O-CG 3.42Å; R327-K331 PolarHBondContact O-N 3.23Å; R327-K331 VanDerWaalsContact O-N 3.15Å; M328-K331 PolarHBondContact O-N 2.88Å; E329-K331 PolarHBondContact O-N 3.47Å; K331-E333 VanDerWaalsContact C-N 3.33Å; K331-F335 WeakPolarHBondContact O-CB 3.05Å; K331-F335 PolarHBondContact O-N 3.19Å |
| 332 | V | 94.3 | Very high | 90 | Very high | 24 Ų | 24 | 66.4 Ų | 66.4 | 15% | 0.145 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 173.4 | 171.2 | 0 | 0 | 0 | 0 | 110.1 | A317 F321 M328 E329 F335 K336 | A317-V332 HydrophobicContact CB-CB 4.31Å; A317-V332 HydrophobicContact CB-CG1 4.04Å; A317-V332 HydrophobicContact CB-CG2 3.85Å; F321-V332 HydrophobicContact CD2-CG2 4.11Å; M328-V332 HydrophobicContact CG-CG2 4.27Å; M328-V332 WeakPolarHBondContact O-CG2 3.38Å; M328-V332 PolarHBondContact O-N 3.36Å; E329-V332 PolarHBondContact O-N 2.72Å; E329-V332 VanDerWaalsContact O-N 3.15Å; V332-F335 PolarHBondContact O-N 3.5Å; V332-K336 WeakPolarHBondContact O-CG 3.08Å; V332-K336 PolarHBondContact O-N 2.97Å |
| 333 | E | 94.4 | Very high | 90.1 | Very high | 103 Ų | 103 | 62.2 Ų | 62.2 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.7 | -47.5 | 177.9 | -158.1 | -144.7 | -163.4 | 0 | 0 | 111.9 | E329 D330 K331 F335 K336 K337 | E329-E333 PolarHBondContact O-N 2.85Å; D330-E333 PolarHBondContact O-N 2.73Å; K331-E333 VanDerWaalsContact C-N 3.33Å; E333-F335 VanDerWaalsContact C-N 3.3Å; E333-F335 PolarHBondContact O-N 3.27Å; E333-K336 PolarHBondContact O-N 2.75Å; E333-K337 VanDerWaalsContact CD-CE 3.4Å; E333-K337 HydrophobicContact CG-CD 4.47Å; E333-K337 WeakPolarHBondContact O-CG 3.27Å; E333-K337 PolarHBondContact O-N 2.97Å; E333-K337 VanDerWaalsContact OE1-CE 3.23Å; E333-K337 WeakPolarHBondContact OE1-CE 3.39Å; E333-K337 IonicContact OE1-NZ 2.62Å; E333-K337 PolarHBondContact OE1-NZ 2.94Å; E333-K337 IonicContact OE2-NZ 2.69Å; E333-K337 PolarHBondContact OE2-NZ 2.98Å |
| 334 | R | 94.6 | Very high | 90.3 | Very high | 75 Ų | 75 | 59.4 Ų | 59.4 | 28% | 0.283 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57 | -41.6 | 172.8 | -76.7 | 170.2 | 177.6 | -158 | -10.6 | 112.4 | I258 L259 D263 D330 K337 A338 | I258-R334 HydrophobicContact CG2-CB 4.41Å; I258-R334 WeakPolarHBondContact CG2-O 3.39Å; I258-R334 WeakPolarHBondContact O-CG 3.41Å; L259-R334 HydrophobicContact CB-CB 4.47Å; L259-R334 HydrophobicContact CD1-CB 4.08Å; D263-R334 IonicContact OD2-CZ 3.51Å; D263-R334 IonicContact OD2-NH1 3.64Å; D263-R334 PolarHBondContact OD2-NH1 3.2Å; D330-R334 WeakPolarHBondContact O-CB 3.24Å; D330-R334 WeakPolarHBondContact O-CG 3.45Å; D330-R334 PolarHBondContact O-N 2.9Å; R334-K337 PolarHBondContact O-N 3.5Å; R334-A338 WeakPolarHBondContact O-CB 3.33Å; R334-A338 PolarHBondContact O-N 2.89Å |
| 335 | F | 97 | Very high | 90.4 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 176.2 | 166.7 | -102.4 | 0 | 0 | 0 | 111.8 | L249 L253 L259 L313 I316 A317 F321 K331 V332 E333 K337 A338 V339 | L249-F335 HydrophobicContact CD1-CE2 3.49Å; L249-F335 VanDerWaalsContact CD1-CE2 3.49Å; L249-F335 HydrophobicContact CD1-CZ 3.44Å; L249-F335 VanDerWaalsContact CD1-CZ 3.44Å; L253-F335 HydrophobicContact CD1-CE2 4.39Å; L253-F335 HydrophobicContact CD2-CD2 3.86Å; L253-F335 HydrophobicContact CD2-CE2 3.64Å; L253-F335 HydrophobicContact CG-CE2 3.95Å; L259-F335 HydrophobicContact CD2-CB 4Å; L259-F335 HydrophobicContact CD2-CD2 4.15Å; L313-F335 HydrophobicContact CB-CE1 4.04Å; L313-F335 HydrophobicContact CD2-CE1 4.19Å; L313-F335 HydrophobicContact CD2-CZ 4.31Å; I316-F335 HydrophobicContact CB-CE1 4.45Å; I316-F335 HydrophobicContact CB-CZ 4.2Å; I316-F335 HydrophobicContact CG2-CE1 4.41Å; I316-F335 HydrophobicContact CG2-CE2 4.48Å; I316-F335 HydrophobicContact CG2-CZ 3.72Å; A317-F335 HydrophobicContact CB-CD1 3.59Å; A317-F335 HydrophobicContact CB-CE1 3.84Å; A317-F335 HydrophobicContact CB-CG 4.4Å; F321-F335 HydrophobicContact CE2-CB 3.88Å; F321-F335 HydrophobicContact CE2-CG 4.39Å; F321-F335 HydrophobicContact CZ-CB 4.18Å; K331-F335 WeakPolarHBondContact O-CB 3.05Å; K331-F335 PolarHBondContact O-N 3.19Å; V332-F335 PolarHBondContact O-N 3.5Å; E333-F335 VanDerWaalsContact C-N 3.3Å; E333-F335 PolarHBondContact O-N 3.27Å; F335-K337 PolarHBondContact O-N 2.82Å; F335-A338 PolarHBondContact O-N 2.83Å; F335-V339 HydrophobicContact CD2-CG2 4.24Å; F335-V339 HydrophobicContact CE1-CG2 4.45Å; F335-V339 HydrophobicContact CE2-CG2 3.83Å; F335-V339 HydrophobicContact CZ-CG2 3.96Å; F335-V339 WeakPolarHBondContact O-CG2 3.45Å; F335-V339 PolarHBondContact O-N 2.83Å |
| 336 | K | 96.9 | Very high | 90.8 | Very high | 70 Ų | 70 | 53.5 Ų | 53.5 | 30% | 0.304 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59 | -46.4 | 175.6 | -69.3 | -179.6 | -170.2 | -173.7 | 0 | 111.4 | L313 D314 V332 E333 A338 V339 E340 | L313-K336 HydrophobicContact CB-CG 4.23Å; L313-K336 HydrophobicContact CD1-CG 4.19Å; D314-K336 WeakPolarHBondContact OD1-CE 3.45Å; D314-K336 IonicContact OD1-NZ 3.21Å; D314-K336 PolarHBondContact OD1-NZ 3.15Å; D314-K336 VanDerWaalsContact OD2-CE 3.31Å; D314-K336 WeakPolarHBondContact OD2-CE 3.44Å; D314-K336 IonicContact OD2-NZ 3.45Å; D314-K336 PolarHBondContact OD2-NZ 2.89Å; V332-K336 WeakPolarHBondContact O-CG 3.08Å; V332-K336 PolarHBondContact O-N 2.97Å; E333-K336 PolarHBondContact O-N 2.75Å; K336-A338 PolarHBondContact O-N 2.87Å; K336-V339 PolarHBondContact O-N 3.14Å; K336-E340 WeakPolarHBondContact O-CB 3.45Å; K336-E340 PolarHBondContact O-N 3.39Å |
| 337 | K | 95.7 | Very high | 90.5 | Very high | 94 Ų | 94 | 57.4 Ų | 57.4 | 41% | 0.409 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.7 | -40.3 | 175.7 | -72.3 | 172.7 | 178.7 | 171.5 | 0 | 112.7 | I258 E333 R334 F335 E340 Y341 | I258-K337 HydrophobicContact CG2-CB 3.89Å; E333-K337 VanDerWaalsContact CD-CE 3.4Å; E333-K337 HydrophobicContact CG-CD 4.47Å; E333-K337 WeakPolarHBondContact O-CG 3.27Å; E333-K337 PolarHBondContact O-N 2.97Å; E333-K337 VanDerWaalsContact OE1-CE 3.23Å; E333-K337 WeakPolarHBondContact OE1-CE 3.39Å; E333-K337 IonicContact OE1-NZ 2.62Å; E333-K337 PolarHBondContact OE1-NZ 2.94Å; E333-K337 IonicContact OE2-NZ 2.69Å; E333-K337 PolarHBondContact OE2-NZ 2.98Å; R334-K337 PolarHBondContact O-N 3.5Å; F335-K337 PolarHBondContact O-N 2.82Å; K337-E340 PolarHBondContact O-N 3.46Å; K337-Y341 WeakPolarHBondContact O-CB 3.35Å; K337-Y341 PolarHBondContact O-N 2.89Å |
| 338 | A | 95.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A252 I258 L259 R334 F335 K336 E340 Y341 F342 | A252-A338 HydrophobicContact CB-CB 3.82Å; I258-A338 HydrophobicContact CB-CB 4.18Å; I258-A338 HydrophobicContact CG2-CB 4.27Å; L259-A338 HydrophobicContact CB-CB 4.21Å; R334-A338 WeakPolarHBondContact O-CB 3.33Å; R334-A338 PolarHBondContact O-N 2.89Å; F335-A338 PolarHBondContact O-N 2.83Å; K336-A338 PolarHBondContact O-N 2.87Å; A338-E340 VanDerWaalsContact C-N 3.33Å; A338-E340 PolarHBondContact O-N 2.78Å; A338-Y341 PolarHBondContact O-N 3.47Å; A338-F342 VanDerWaalsContact O-CD2 3.29Å; A338-F342 WeakPolarHBondContact O-CD2 3.48Å; A338-F342 PolarHBondContact O-N 2.82Å; A338-F342 VanDerWaalsContact O-N 3.13Å |
| 339 | V | 96 | Very high | 88.2 | Confident | 13 Ų | 13 | 60.2 Ų | 60.2 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 174.7 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | L249 A252 L313 F335 K336 S343 | L249-V339 HydrophobicContact CD1-CG2 3.92Å; A252-V339 HydrophobicContact CB-CB 4.44Å; A252-V339 HydrophobicContact CB-CG2 3.58Å; L313-V339 HydrophobicContact CD1-CB 4.37Å; L313-V339 HydrophobicContact CD1-CG1 4.19Å; L313-V339 HydrophobicContact CD2-CG1 4.12Å; L313-V339 HydrophobicContact CD2-CG2 4.42Å; F335-V339 HydrophobicContact CD2-CG2 4.24Å; F335-V339 HydrophobicContact CE1-CG2 4.45Å; F335-V339 HydrophobicContact CE2-CG2 3.83Å; F335-V339 HydrophobicContact CZ-CG2 3.96Å; F335-V339 WeakPolarHBondContact O-CG2 3.45Å; F335-V339 PolarHBondContact O-N 2.83Å; K336-V339 PolarHBondContact O-N 3.14Å; V339-S343 VanDerWaalsContact O-CB 3.22Å; V339-S343 WeakPolarHBondContact O-CB 3.46Å; V339-S343 PolarHBondContact O-N 2.89Å; V339-S343 PolarHBondContact O-OG 2.83Å |
| 340 | E | 94.6 | Very high | 86.6 | Confident | 140 Ų | 140 | 55.3 Ų | 55.3 | 65% | 0.654 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64 | -45.2 | 175.4 | -177.5 | 167.2 | -151.3 | 0 | 0 | 112.3 | K336 K337 A338 F342 S343 A344 | K336-E340 WeakPolarHBondContact O-CB 3.45Å; K336-E340 PolarHBondContact O-N 3.39Å; K337-E340 PolarHBondContact O-N 3.46Å; A338-E340 VanDerWaalsContact C-N 3.33Å; A338-E340 PolarHBondContact O-N 2.78Å; E340-F342 PolarHBondContact O-N 2.74Å; E340-S343 CarbonylContact O-C 3.37Å; E340-S343 WeakPolarHBondContact O-CB 3.4Å; E340-S343 PolarHBondContact O-N 3.07Å; E340-S343 VanDerWaalsContact O-N 3.11Å; E340-A344 WeakPolarHBondContact O-CB 3.44Å; E340-A344 PolarHBondContact O-N 3.43Å |
| 341 | Y | 93.3 | Very high | 84.7 | Confident | 29 Ų | 29 | 58 Ų | 58 | 11% | 0.114 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.2 | -53.4 | 177.9 | -177 | -86.5 | 0 | 0 | 0 | 111.9 | R118 D179 Q182 E202 H257 I258 K337 A338 S343 A344 A345 | R118-Y341 PolarHBondContact NH2-OH 2.88Å; D179-Y341 PolarHBondContact OD1-OH 3.33Å; Q182-Y341 HydrophobicContact CG-CD2 4.48Å; Q182-Y341 HydrophobicContact CG-CE2 3.6Å; E202-Y341 PolarHBondContact OE1-OH 2.89Å; H257-Y341 AromaticContact CE1-CE1 3.73Å; H257-Y341 AromaticContact CE1-CE2 3.99Å; H257-Y341 AromaticContact CE1-CZ 3.62Å; H257-Y341 AromaticContact NE2-CE2 3.92Å; I258-Y341 HydrophobicContact CD1-CD2 3.87Å; I258-Y341 HydrophobicContact CD1-CG 3.79Å; K337-Y341 WeakPolarHBondContact O-CB 3.35Å; K337-Y341 PolarHBondContact O-N 2.89Å; A338-Y341 PolarHBondContact O-N 3.47Å; Y341-S343 VanDerWaalsContact C-N 3.29Å; Y341-S343 PolarHBondContact O-N 2.98Å; Y341-A344 PolarHBondContact O-N 2.81Å; Y341-A345 WeakPolarHBondContact O-CB 3.36Å; Y341-A345 PolarHBondContact O-N 2.69Å |
| 342 | F | 93.4 | Very high | 82.5 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 0% | 0.004 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.8 | -27.5 | 177.7 | -73.2 | -69.4 | 0 | 0 | 0 | 112.7 | V3 E202 P248 A251 N256 A338 E340 S346 | V3-F342 HydrophobicContact CG2-CZ 4.17Å; E202-F342 HydrophobicContact CG-CE1 3.71Å; E202-F342 HydrophobicContact CG-CZ 4.01Å; P248-F342 HydrophobicContact CB-CB 3.94Å; A251-F342 HydrophobicContact CB-CB 4.27Å; A251-F342 HydrophobicContact CB-CD1 3.71Å; A251-F342 HydrophobicContact CB-CD2 3.66Å; A251-F342 HydrophobicContact CB-CE1 3.91Å; A251-F342 HydrophobicContact CB-CE2 3.86Å; A251-F342 HydrophobicContact CB-CG 3.6Å; A251-F342 HydrophobicContact CB-CZ 4Å; N256-F342 HydrophobicContact CB-CE2 4.1Å; N256-F342 HydrophobicContact CB-CZ 4.22Å; A338-F342 VanDerWaalsContact O-CD2 3.29Å; A338-F342 WeakPolarHBondContact O-CD2 3.48Å; A338-F342 PolarHBondContact O-N 2.82Å; A338-F342 VanDerWaalsContact O-N 3.13Å; E340-F342 PolarHBondContact O-N 2.74Å; F342-S346 VanDerWaalsContact O-CB 3.26Å; F342-S346 WeakPolarHBondContact O-CB 3.41Å; F342-S346 PolarHBondContact O-N 3.21Å; F342-S346 PolarHBondContact O-OG 3.23Å |
| 343 | S | 91.5 | Very high | 80.2 | Confident | 36 Ų | 36 | 70.1 Ų | 70.1 | 25% | 0.252 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71.5 | -36.8 | 173.6 | -62.4 | 0 | 0 | 0 | 0 | 112.4 | P248 V339 E340 Y341 K347 | P248-S343 VanDerWaalsContact CB-OG 3.24Å; P248-S343 WeakPolarHBondContact CB-OG 3.03Å; V339-S343 VanDerWaalsContact O-CB 3.22Å; V339-S343 WeakPolarHBondContact O-CB 3.46Å; V339-S343 PolarHBondContact O-N 2.89Å; V339-S343 PolarHBondContact O-OG 2.83Å; E340-S343 CarbonylContact O-C 3.37Å; E340-S343 WeakPolarHBondContact O-CB 3.4Å; E340-S343 PolarHBondContact O-N 3.07Å; E340-S343 VanDerWaalsContact O-N 3.11Å; Y341-S343 VanDerWaalsContact C-N 3.29Å; Y341-S343 PolarHBondContact O-N 2.98Å; S343-K347 WeakPolarHBondContact O-CD 3.42Å; S343-K347 VanDerWaalsContact O-CG 3.23Å; S343-K347 WeakPolarHBondContact O-CG 3.5Å; S343-K347 PolarHBondContact O-N 3.05Å |
| 344 | A | 87.7 | Confident | 78 | Confident | 39 Ų | 39 | 67.9 Ų | 67.9 | 32% | 0.322 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.8 | -42.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E340 Y341 K347 | E340-A344 WeakPolarHBondContact O-CB 3.44Å; E340-A344 PolarHBondContact O-N 3.43Å; Y341-A344 PolarHBondContact O-N 2.81Å; A344-K347 PolarHBondContact O-N 3.36Å |
| 345 | A | 83.2 | Confident | 75.7 | Confident | 8 Ų | 8 | 69 Ų | 69 | 7% | 0.066 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L185 C206 Y341 K347 | L185-A345 HydrophobicContact CD1-CB 3.79Å; C206-A345 HydrophobicContact CB-CB 3.91Å; C206-A345 WeakPolarHBondContact SG-CB 3.41Å; Y341-A345 WeakPolarHBondContact O-CB 3.36Å; Y341-A345 PolarHBondContact O-N 2.69Å; A345-K347 VanDerWaalsContact C-N 3.34Å; A345-K347 PolarHBondContact O-N 3.07Å |
| 346 | S | 79.8 | Confident | 73.4 | Confident | 24 Ų | 24 | 69.8 Ų | 69.8 | 17% | 0.168 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -5 | -175.7 | -53 | 0 | 0 | 0 | 0 | 114.6 | F342 | F342-S346 VanDerWaalsContact O-CB 3.26Å; F342-S346 WeakPolarHBondContact O-CB 3.41Å; F342-S346 PolarHBondContact O-N 3.21Å; F342-S346 PolarHBondContact O-OG 3.23Å |
| 347 | K | 74.6 | Confident | 70.9 | Confident | 129 Ų | 129 | 72.1 Ų | 72.1 | 56% | 0.561 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 123.8 | -177.9 | -89.3 | 163.3 | -168 | 172.5 | 0 | 111.3 | R189 S343 A344 A345 | R189-K347 PolarHBondContact NH1-O 2.85Å; R189-K347 VanDerWaalsContact NH1-O 3.12Å; S343-K347 WeakPolarHBondContact O-CD 3.42Å; S343-K347 VanDerWaalsContact O-CG 3.23Å; S343-K347 WeakPolarHBondContact O-CG 3.5Å; S343-K347 PolarHBondContact O-N 3.05Å; A344-K347 PolarHBondContact O-N 3.36Å; A345-K347 VanDerWaalsContact C-N 3.34Å; A345-K347 PolarHBondContact O-N 3.07Å |
| 348 | P | 64.1 | Low | 68.7 | Low | 114 Ų | 114 | 69.7 Ų | 69.7 | 74% | 0.74 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -64 | 159 | 170.2 | 30 | -35.2 | 0 | 0 | 0 | 110.3 | S350 | P348-S350 PolarHBondContact O-N 3.35Š|
| 349 | R | 56.5 | Low | 66.5 | Low | 129 Ų | 129 | 73.7 Ų | 73.7 | 49% | 0.487 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 120 | -177.6 | -170.1 | 175.7 | 178.9 | 163.3 | 5.1 | 110.8 | R189 D190 | R189-R349 HydrophobicContact CG-CB 3.79Å; R189-R349 HydrophobicContact CG-CG 4.43Å; D190-R349 VanDerWaalsContact C-NH1 3.27Å; D190-R349 PolarHBondContact O-NH1 2.95Å |
| 350 | S | 53 | Low | 64.6 | Low | 57 Ų | 57 | 74 Ų | 74 | 40% | 0.399 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 130.7 | 165.9 | 176.1 | 0 | 0 | 0 | 0 | 109.5 | P348 N352 M353 | P348-S350 PolarHBondContact O-N 3.35Å; S350-N352 PolarHBondContact O-N 2.98Å; S350-N352 PolarHBondContact OG-N 3.48Å; S350-M353 PolarHBondContact O-N 3.04Å |
| 351 | P | 50.8 | Low | 62.2 | Low | 120 Ų | 120 | 72.9 Ų | 72.9 | 78% | 0.779 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -19.9 | 177 | 27.8 | -34.7 | 0 | 0 | 0 | 112.7 | ||
| 352 | N | 44.5 | Very low | 60.3 | Low | 151 Ų | 151 | 75.3 Ų | 75.3 | 81% | 0.807 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 3.4 | -178.9 | -64.6 | 9.6 | 0 | 0 | 0 | 113.2 | S350 | S350-N352 PolarHBondContact O-N 2.98Å; S350-N352 PolarHBondContact OG-N 3.48Å |
| 353 | M | 47.2 | Very low | 58.2 | Low | 141 Ų | 141 | 76.1 Ų | 76.1 | 70% | 0.695 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -79.3 | 130.9 | -179.2 | -148.1 | 71.4 | 176.9 | 0 | 0 | 110.9 | S350 | S350-M353 PolarHBondContact O-N 3.04Š|
| 354 | G | 46.9 | Very low | 56.2 | Low | 55 Ų | 55 | 75.6 Ų | 75.6 | 57% | 0.567 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 162 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 355 | P | 46.8 | Very low | 54.1 | Low | 100 Ų | 100 | 79 Ų | 79 | 65% | 0.649 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 145.2 | -177.5 | 30.9 | -36.5 | 0 | 0 | 0 | 111 | I359 | P355-I359 HydrophobicContact CB-CD1 3.65Å; P355-I359 HydrophobicContact CB-CG1 3.94Å; P355-I359 HydrophobicContact CG-CD1 3.8Å |
| 356 | S | 49 | Very low | 52.1 | Low | 16 Ų | 16 | 83.6 Ų | 83.6 | 11% | 0.112 | 51% | 0.511 | C | S | . | . | P | Polyproline II helix | trans | -51.5 | 146.2 | -168.7 | -144.2 | 0 | 0 | 0 | 0 | 113.9 | D190 F358 I359 | D190-S356 WeakPolarHBondContact OD2-CB 3.46Å; D190-S356 PolarHBondContact OD2-OG 2.85Å; S356-F358 PolarHBondContact O-N 3.4Å; S356-I359 WeakPolarHBondContact O-CD1 3.33Å; S356-I359 WeakPolarHBondContact O-CG1 3.38Å; S356-I359 PolarHBondContact O-N 2.79Å; S356-I359 VanDerWaalsContact O-N 3.07Å |
| 357 | P | 45.5 | Very low | 50.1 | Low | 118 Ų | 118 | 86.9 Ų | 86.9 | 77% | 0.766 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.3 | 170.5 | 25.7 | -34.3 | 0 | 0 | 0 | 112.5 | I359 | P357-I359 VanDerWaalsContact C-N 3.33Å; P357-I359 PolarHBondContact O-N 3.35Å |
| 358 | F | 48.9 | Very low | 48.2 | Very low | 43 Ų | 43 | 87.6 Ų | 87.6 | 19% | 0.189 | 54% | 0.535 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 22.5 | 176.4 | -49.8 | -68.5 | 0 | 0 | 0 | 114.6 | E183 S356 L360 | E183-F358 HydrophobicContact CG-CD1 3.6Å; E183-F358 HydrophobicContact CG-CD2 4.29Å; E183-F358 HydrophobicContact CG-CE1 3.71Å; E183-F358 HydrophobicContact CG-CE2 4.38Å; E183-F358 HydrophobicContact CG-CG 3.91Å; E183-F358 HydrophobicContact CG-CZ 4.11Å; S356-F358 PolarHBondContact O-N 3.4Å; F358-L360 PolarHBondContact O-N 3.37Å; F358-L360 VanDerWaalsContact O-N 3.1Å |
| 359 | I | 50.4 | Low | 46.6 | Very low | 85 Ų | 85 | 86 Ų | 86 | 44% | 0.436 | 54% | 0.539 | S | S | . | . | trans | -55.4 | 120.1 | 176.5 | -67.2 | 137.5 | 0 | 0 | 0 | 110.3 | Y191 P355 S356 P357 P361 | Y191-I359 WeakPolarHBondContact OH-CA 3.48Å; P355-I359 HydrophobicContact CB-CD1 3.65Å; P355-I359 HydrophobicContact CB-CG1 3.94Å; P355-I359 HydrophobicContact CG-CD1 3.8Å; S356-I359 WeakPolarHBondContact O-CD1 3.33Å; S356-I359 WeakPolarHBondContact O-CG1 3.38Å; S356-I359 PolarHBondContact O-N 2.79Å; S356-I359 VanDerWaalsContact O-N 3.07Å; P357-I359 VanDerWaalsContact C-N 3.33Å; P357-I359 PolarHBondContact O-N 3.35Å; I359-P361 WeakPolarHBondContact O-CD 3.47Å | ||
| 360 | L | 55.8 | Low | 45.2 | Very low | 18 Ų | 18 | 81.9 Ų | 81.9 | 9% | 0.094 | 54% | 0.537 | C | S | . | . | trans | -86.4 | 114.9 | 161.6 | -63.2 | 179.8 | 0 | 0 | 0 | 108.7 | V174 Y191 F358 G362 F363 R544 | V174-L360 HydrophobicContact CG1-CD1 3.86Å; V174-L360 HydrophobicContact CG2-CD1 3.99Å; Y191-L360 PolarHBondContact OH-N 3.4Å; F358-L360 PolarHBondContact O-N 3.37Å; F358-L360 VanDerWaalsContact O-N 3.1Å; L360-G362 PolarHBondContact O-N 2.63Å; L360-F363 HydrophobicContact CB-CB 3.61Å; L360-F363 HydrophobicContact CB-CD2 4.1Å; L360-F363 HydrophobicContact CB-CG 4.01Å; L360-F363 HydrophobicContact CD1-CD2 3.74Å; L360-F363 HydrophobicContact CD1-CE2 3.94Å; L360-F363 HydrophobicContact CD1-CG 4.16Å; L360-F363 WeakPolarHBondContact O-CB 3.41Å; L360-F363 PolarHBondContact O-N 2.87Å; L360-R544 HydrophobicContact CD2-CB 3.74Å; L360-R544 HydrophobicContact CD2-CG 4.26Å | ||
| 361 | P | 44.1 | Very low | 43.9 | Very low | 118 Ų | 118 | 84.8 Ų | 84.8 | 77% | 0.766 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | 129 | 177.4 | -24.5 | 35.6 | 0 | 0 | 0 | 110.9 | I359 | I359-P361 WeakPolarHBondContact O-CD 3.47Š|
| 362 | G | 52.5 | Low | 43 | Very low | 80 Ų | 80 | 83.3 Ų | 83.3 | 83% | 0.825 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84 | 5.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L360 G364 | L360-G362 PolarHBondContact O-N 2.63Å; G362-G364 VanDerWaalsContact C-N 3.34Å |
| 363 | F | 50.2 | Low | 42.2 | Very low | 17 Ų | 17 | 79.3 Ų | 79.3 | 8% | 0.075 | 54% | 0.539 | C | S | . | . | trans | -88.2 | 4.2 | -179 | -153 | -94.7 | 0 | 0 | 0 | 114.9 | V107 R172 V174 L187 Y191 F193 L360 | V107-F363 HydrophobicContact CG1-CZ 3.83Å; R172-F363 HydrophobicContact CG-CE2 3.96Å; R172-F363 HydrophobicContact CG-CZ 4.46Å; R172-F363 PolarHBondContact NH1-O 2.82Å; V174-F363 HydrophobicContact CG2-CD2 4.42Å; V174-F363 HydrophobicContact CG2-CE1 4.39Å; V174-F363 HydrophobicContact CG2-CE2 3.28Å; V174-F363 HydrophobicContact CG2-CZ 3.26Å; L187-F363 HydrophobicContact CD2-CE1 4.16Å; Y191-F363 AromaticContact CD1-CD1 3.72Å; Y191-F363 HydrophobicContact CD1-CD1 3.72Å; Y191-F363 WeakPolarHBondContact CD1-O 3.47Å; Y191-F363 HydrophobicContact CD2-CD1 4.19Å; Y191-F363 HydrophobicContact CE1-CB 3.88Å; Y191-F363 AromaticContact CE1-CD1 3.69Å; Y191-F363 HydrophobicContact CE1-CD1 3.69Å; Y191-F363 HydrophobicContact CE1-CG 4.27Å; Y191-F363 HydrophobicContact CE2-CD1 4.15Å; Y191-F363 AromaticContact CG-CD1 3.96Å; Y191-F363 HydrophobicContact CG-CD1 3.96Å; Y191-F363 HydrophobicContact CG-CE1 4.37Å; Y191-F363 AromaticContact CZ-CD1 3.89Å; F193-F363 HydrophobicContact CZ-CE1 4.35Å; L360-F363 HydrophobicContact CB-CB 3.61Å; L360-F363 HydrophobicContact CB-CD2 4.1Å; L360-F363 HydrophobicContact CB-CG 4.01Å; L360-F363 HydrophobicContact CD1-CD2 3.74Å; L360-F363 HydrophobicContact CD1-CE2 3.94Å; L360-F363 HydrophobicContact CD1-CG 4.16Å; L360-F363 WeakPolarHBondContact O-CB 3.41Å; L360-F363 PolarHBondContact O-N 2.87Å | ||
| 364 | G | 49.6 | Very low | 41.3 | Very low | 25 Ų | 25 | 81.6 Ų | 81.6 | 26% | 0.258 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -62.5 | -179.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G362 V366 | G362-G364 VanDerWaalsContact C-N 3.34Å; G364-V366 PolarHBondContact O-N 3.01Å |
| 365 | P | 43.4 | Very low | 40.7 | Very low | 110 Ų | 110 | 88.3 Ų | 88.3 | 71% | 0.714 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -76.3 | 30.4 | -172.7 | 34.4 | -38.4 | 0 | 0 | 0 | 114 | P367 | P365-P367 WeakPolarHBondContact O-CD 3.13Š|
| 366 | V | 41.5 | Very low | 39.8 | Very low | 106 Ų | 106 | 85.9 Ų | 85.9 | 64% | 0.642 | 56% | 0.56 | S | S | * | * | trans | -70.9 | 124.5 | 178.2 | -170.5 | 0 | 0 | 0 | 0 | 108.9 | G364 | G364-V366 PolarHBondContact O-N 3.01Š| ||
| 367 | P | 38.1 | Very low | 38.9 | Very low | 93 Ų | 93 | 91.1 Ų | 91.1 | 60% | 0.604 | 59% | 0.594 | S | S | * | * | trans | -63 | 157.7 | 178.7 | -24.5 | 35.5 | 0 | 0 | 0 | 113.4 | P365 G369 | P365-P367 WeakPolarHBondContact O-CD 3.13Å; P367-G369 PolarHBondContact O-N 3.42Å | ||
| 368 | F | 34.5 | Very low | 38.3 | Very low | 143 Ų | 143 | 91 Ų | 91 | 63% | 0.627 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -72.1 | 95.2 | 178.3 | -154.2 | -72.5 | 0 | 0 | 0 | 110.2 | R170 | R170-F368 HydrophobicContact CB-CE2 4.21Å; R170-F368 HydrophobicContact CB-CZ 3.88Å; R170-F368 HydrophobicContact CG-CZ 4.36Å |
| 369 | G | 30.3 | Very low | 37.2 | Very low | 80 Ų | 80 | 94.6 Ų | 94.6 | 83% | 0.825 | 61% | 0.613 | S | S | * | * | trans | -137.8 | 33.9 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | P367 | P367-G369 PolarHBondContact O-N 3.42Š| ||
| 370 | G | 26.5 | Very low | 36.2 | Very low | 44 Ų | 44 | 98.6 Ų | 98.6 | 45% | 0.454 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -156.6 | 150.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 371 | P | 26.5 | Very low | 34.8 | Very low | 118 Ų | 118 | 101.3 Ų | 101.3 | 77% | 0.766 | 67% | 0.667 | S | S | * | * | trans | -65.6 | 147.2 | 173.5 | 28.9 | -34.2 | 0 | 0 | 0 | 110.2 | G373 | P371-G373 VanDerWaalsContact C-N 3.32Å; P371-G373 PolarHBondContact O-N 2.94Å | ||
| 372 | P | 30 | Very low | 34.1 | Very low | 88 Ų | 88 | 105.3 Ų | 105.3 | 57% | 0.571 | 67% | 0.672 | S | S | * | * | trans | -66.9 | 94.7 | 167.8 | 28.9 | -32.6 | 0 | 0 | 0 | 108.4 | ||||
| 373 | G | 27.9 | Very low | 32.8 | Very low | 67 Ų | 67 | 108.6 Ų | 108.6 | 69% | 0.691 | 67% | 0.671 | S | S | * | * | trans | -58.5 | 138.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P371 | P371-G373 VanDerWaalsContact C-N 3.32Å; P371-G373 PolarHBondContact O-N 2.94Å | ||
| 374 | H | 28.8 | Very low | 31.6 | Very low | 189 Ų | 189 | 117 Ų | 117 | 88% | 0.875 | 71% | 0.71 | S | S | * | * | trans | -47.3 | 150.5 | 168.4 | -90 | -70.9 | 0 | 0 | 0 | 111.4 | G376 | H374-G376 PolarHBondContact O-N 2.91Š| ||
| 375 | M | 34.5 | Very low | 30.5 | Very low | 197 Ų | 197 | 124.8 Ų | 124.8 | 97% | 0.97 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -69.1 | 67.4 | 151.8 | -76.5 | -81 | -89.1 | 0 | 0 | 109.5 | ||
| 376 | G | 28.9 | Very low | 29.9 | Very low | 49 Ų | 49 | 124.5 Ų | 124.5 | 51% | 0.505 | 74% | 0.736 | S | S | . | * | P | Polyproline II helix | trans | -86.3 | 167.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H374 | H374-G376 PolarHBondContact O-N 2.91Š|
| 377 | P | 29.8 | Very low | 29.4 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 158.8 | -172.3 | 28.9 | -35 | 0 | 0 | 0 | 113.8 | ||
| 378 | I | 31.5 | Very low | 29.1 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 59% | 0.59 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 141 | 166 | -67.3 | 173.7 | 0 | 0 | 0 | 108.1 | L380 | I378-L380 PolarHBondContact O-N 3.05Š|
| 379 | P | 27.5 | Very low | 28.9 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 132.6 | -176.1 | -24.5 | 34.3 | 0 | 0 | 0 | 113.1 | ||
| 380 | L | 27.8 | Very low | 28.8 | Very low | 170 Ų | 170 | 129 Ų | 129 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 126.1 | 159.4 | -131.3 | 80.7 | 0 | 0 | 0 | 108 | I378 | I378-L380 PolarHBondContact O-N 3.05Š|
| 381 | G | 28.1 | Very low | 29.7 | Very low | 75 Ų | 75 | 133.3 Ų | 133.3 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 128.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 382 | K | 27.4 | Very low | 29.6 | Very low | 202 Ų | 202 | 131.1 Ų | 131.1 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | trans | -131.7 | 131.7 | 154.8 | -83.6 | -175.2 | 176.8 | 173.8 | 0 | 108.9 | ||||
| 383 | N | 26.5 | Very low | 29.4 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -70.4 | 141.2 | 178.4 | -60.2 | -23.6 | 0 | 0 | 0 | 110.4 | ||||
| 384 | Q | 23.8 | Very low | 29.3 | Very low | 194 Ų | 194 | 143.5 Ų | 143.5 | 91% | 0.907 | 81% | 0.808 | S | S | * | * | trans | -131.5 | 118.8 | 150.6 | -68.7 | -168.3 | 6.6 | 0 | 0 | 108.5 | ||||
| 385 | F | 27.7 | Very low | 30 | Very low | 189 Ų | 189 | 139.8 Ų | 139.8 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 160.1 | 166.5 | -96.7 | -104.4 | 0 | 0 | 0 | 109.2 | ||
| 386 | P | 31.5 | Very low | 30.8 | Very low | 104 Ų | 104 | 135 Ų | 135 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -74 | 162.2 | -170.1 | 31.1 | -36.8 | 0 | 0 | 0 | 113.5 | ||
| 387 | P | 29.9 | Very low | 30.6 | Very low | 125 Ų | 125 | 142.2 Ų | 142.2 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 138 | 171 | 28.7 | -35 | 0 | 0 | 0 | 111.2 | ||
| 388 | P | 32.2 | Very low | 30.5 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 152.3 | -178.4 | 34.6 | -35.1 | 0 | 0 | 0 | 113.1 | ||
| 389 | Q | 29.4 | Very low | 30.2 | Very low | 198 Ų | 198 | 144.8 Ų | 144.8 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -106.1 | 134.3 | 151.7 | -70 | -175.5 | -12.3 | 0 | 0 | 108.5 | ||||
| 390 | G | 28.6 | Very low | 30.2 | Very low | 72 Ų | 72 | 143.5 Ų | 143.5 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | -86.3 | -167.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 391 | P | 44.9 | Very low | 31.1 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | cis | -127.2 | 167.8 | 15.3 | 40.3 | -26.1 | 0 | 0 | 0 | 115.8 | ||||
| 392 | G | 24.2 | Very low | 31.1 | Very low | 73 Ų | 73 | 147.7 Ų | 147.7 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -169.2 | 128.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 393 | F | 27.4 | Very low | 31.1 | Very low | 216 Ų | 216 | 141.3 Ų | 141.3 | 95% | 0.947 | 79% | 0.788 | S | S | * | * | trans | -68.5 | 161.4 | -164 | -82.1 | -107.3 | 0 | 0 | 0 | 117.3 | ||||
| 394 | K | 24.7 | Very low | 31.9 | Very low | 198 Ų | 198 | 141 Ų | 141 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -79.1 | -169 | 171.5 | -44.8 | 174.9 | 176.8 | 176.5 | 0 | 111.2 | ||||
| 395 | P | 43.9 | Very low | 32 | Very low | 112 Ų | 112 | 135 Ų | 135 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | -137.7 | -147.9 | -5.9 | 37.8 | -13.6 | 0 | 0 | 0 | 112.4 | ||||
| 396 | P | 50.5 | Low | 31.9 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 63% | 0.63 | 79% | 0.788 | S | S | * | * | cis | -130.3 | 178.8 | -37.8 | 22 | 1.2 | 0 | 0 | 0 | 116.2 | ||||
| 397 | Y | 25 | Very low | 31.7 | Very low | 199 Ų | 199 | 131.5 Ų | 131.5 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | trans | 106.7 | 110.6 | 141.7 | -80.1 | -55.9 | 0 | 0 | 0 | 124.9 | ||||
| 398 | Q | 27.8 | Very low | 32.7 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | 75.8 | 128.7 | 129.8 | -95.9 | 171.8 | 5 | 0 | 0 | 126.3 | |||||
| 399 | N | 25.3 | Very low | 32.3 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | 79.6 | 153.3 | 141.4 | -64.8 | -14 | 0 | 0 | 0 | 123.2 | ||||
| 400 | A | 26.9 | Very low | 32 | Very low | 91 Ų | 91 | 130.5 Ų | 130.5 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -126.1 | -167.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 401 | P | 48.3 | Very low | 31.8 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | cis | -140.7 | -149.3 | 6.9 | 41.5 | -17.8 | 0 | 0 | 0 | 115.3 | ||||
| 402 | Y | 28 | Very low | 32.2 | Very low | 229 Ų | 229 | 133.6 Ų | 133.6 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | 73.3 | 156.5 | -178.6 | -59.4 | -83.7 | 0 | 0 | 0 | 116.2 | ||||
| 403 | G | 26 | Very low | 33 | Very low | 69 Ų | 69 | 136.4 Ų | 136.4 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | cis | -171.8 | 174.7 | -3.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 404 | P | 44.2 | Very low | 33 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | trans | -119.1 | 165 | -165.9 | 41.1 | -31.6 | 0 | 0 | 0 | 117.1 | ||||
| 405 | G | 24.9 | Very low | 33.5 | Very low | 68 Ų | 68 | 132.9 Ų | 132.9 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | 158 | 125.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 406 | S | 25.9 | Very low | 34 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | 53.4 | 146.6 | 130 | -51.2 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 407 | A | 28 | Very low | 34.1 | Very low | 90 Ų | 90 | 133 Ų | 133 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | trans | -103.6 | -163 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 408 | P | 50.5 | Low | 34.4 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | cis | -139.8 | -158.8 | -5.2 | 28 | -0.5 | 0 | 0 | 0 | 114.9 | ||||
| 409 | L | 23.5 | Very low | 34.4 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | trans | 105.5 | 132.6 | 147.4 | -57.4 | -173.6 | 0 | 0 | 0 | 124.7 | ||||
| 410 | F | 22.8 | Very low | 34.4 | Very low | 168 Ų | 168 | 128.4 Ų | 128.4 | 74% | 0.737 | 76% | 0.759 | S | S | * | * | trans | 56.8 | 106.6 | 141.4 | -76.8 | -71.7 | 0 | 0 | 0 | 127.4 | ||||
| 411 | H | 25.2 | Very low | 34.4 | Very low | 172 Ų | 172 | 131.5 Ų | 131.5 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | 88.9 | 154.4 | 123.9 | -92.2 | 40.9 | 0 | 0 | 0 | 125.2 | |||||
| 412 | P | 52.6 | Low | 33.3 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | trans | -121.3 | 179.5 | -159 | 45.9 | -35.2 | 0 | 0 | 0 | 117 | ||||
| 413 | P | 40.8 | Very low | 33 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | -139.4 | -138.7 | 126.1 | 40 | -25.9 | 0 | 0 | 0 | 115 | |||||
| 414 | Q | 28.4 | Very low | 32.9 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -143.9 | 147.3 | -168.6 | -61.9 | 178.5 | -97.4 | 0 | 0 | 115.8 | ||||
| 415 | Q | 34.7 | Very low | 31.9 | Very low | 172 Ų | 172 | 132.6 Ų | 132.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 58.6 | 174.3 | 144.6 | -79.8 | -174 | -33.7 | 0 | 0 | 120.3 | ||||
| 416 | P | 55.4 | Low | 31.8 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | cis | -115 | -137.3 | -1.2 | 41.4 | -23.8 | 0 | 0 | 0 | 111.5 | ||||
| 417 | P | 51.8 | Low | 31.8 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 61% | 0.61 | 76% | 0.759 | S | S | * | * | cis | -136.4 | 175.9 | -23.4 | 39.9 | -21.2 | 0 | 0 | 0 | 117.5 | ||||
| 418 | Q | 32 | Very low | 31.5 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | trans | 53.8 | 150 | 140 | -72.2 | 170.4 | -89.6 | 0 | 0 | 123.5 | ||||
| 419 | D | 28.3 | Very low | 30.2 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | cis | -154.4 | 177.1 | 2.6 | -125.9 | -27.3 | 0 | 0 | 0 | 117.2 | ||||
| 420 | C | 24.6 | Very low | 30.2 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 75% | 0.75 | 77% | 0.772 | S | S | * | * | trans | -57.8 | 166.4 | -171.1 | -58.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 421 | N | 25.8 | Very low | 30.4 | Very low | 155 Ų | 155 | 136 Ų | 136 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | -171.9 | 167.2 | 104.7 | -148.5 | 2.2 | 0 | 0 | 0 | 115.7 | |||||
| 422 | D | 25.4 | Very low | 30.4 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | -101.9 | 165.6 | -171.4 | -80.5 | -59.3 | 0 | 0 | 0 | 117 | ||||
| 423 | S | 22.4 | Very low | 29.1 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | 143 | 121.5 | 124.4 | -68.6 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 424 | M | 23.3 | Very low | 28.4 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 84% | 0.837 | 75% | 0.752 | S | S | * | * | 41 | 148.2 | 127.6 | -96.5 | -62.7 | 178.6 | 0 | 0 | 126 | |||||
| 425 | T | 24.3 | Very low | 28.3 | Very low | 139 Ų | 139 | 133.7 Ų | 133.7 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | trans | 66 | 158.6 | 168.9 | 67.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 426 | G | 22.9 | Very low | 28.4 | Very low | 63 Ų | 63 | 131 Ų | 131 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | cis | 160.7 | 159.9 | -8.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 427 | K | 24.2 | Very low | 27.1 | Very low | 193 Ų | 193 | 135 Ų | 135 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | trans | 69.4 | 128.9 | -178.4 | -71.9 | 179.6 | 177.6 | 178.3 | 0 | 115.5 | ||||
| 428 | M | 23.1 | Very low | 25.9 | Very low | 180 Ų | 180 | 136.1 Ų | 136.1 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | 51.8 | 127 | 100.5 | -61.5 | 165.8 | 145.2 | 0 | 0 | 114.3 | |||||
| 429 | G | 23 | Very low | 25.8 | Very low | 70 Ų | 70 | 131.8 Ų | 131.8 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | cis | 116.6 | 108.2 | -1.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 430 | F | 24.1 | Very low | 25.9 | Very low | 197 Ų | 197 | 131.2 Ų | 131.2 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | trans | -161.3 | 130.9 | 160.3 | -109 | -93.2 | 0 | 0 | 0 | 102.9 | ||||
| 431 | S | 26.5 | Very low | 26.2 | Very low | 81 Ų | 81 | 134.8 Ų | 134.8 | 57% | 0.566 | 75% | 0.745 | S | S | * | * | cis | 64.6 | 140.2 | 45.1 | 82.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 432 | D | 24.8 | Very low | 26.2 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 65% | 0.647 | 74% | 0.74 | S | S | * | * | cis | -153.1 | -165.1 | 12.2 | -129.4 | -27.9 | 0 | 0 | 0 | 113.1 | S434 | D432-S434 PolarHBondContact OD1-OG 3.43Š| ||
| 433 | W | 24.7 | Very low | 26.1 | Very low | 238 Ų | 238 | 127.9 Ų | 127.9 | 90% | 0.902 | 74% | 0.743 | S | S | * | * | trans | 88.4 | 75 | -179.9 | -55.1 | 105 | 0 | 0 | 0 | 114.2 | ||||
| 434 | S | 26.7 | Very low | 26.3 | Very low | 72 Ų | 72 | 129.5 Ų | 129.5 | 50% | 0.503 | 74% | 0.743 | S | S | . | * | cis | 74.7 | 115 | 42.9 | -30.3 | 0 | 0 | 0 | 0 | 112.2 | D432 | D432-S434 PolarHBondContact OD1-OG 3.43Š| ||
| 435 | A | 25.5 | Very low | 26.6 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | 100.5 | 174.3 | 69.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 436 | P | 36.9 | Very low | 27 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | cis | -113.9 | 176.8 | -9.7 | 25.8 | -2.7 | 0 | 0 | 0 | 112.5 | ||||
| 437 | Y | 28.3 | Very low | 27.8 | Very low | 201 Ų | 201 | 136.5 Ų | 136.5 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | cis | 68.8 | 154.1 | 39.5 | -97.1 | -118.3 | 0 | 0 | 0 | 113.5 | S439 | Y437-S439 VanDerWaalsContact CD1-OG 3.3Å; Y437-S439 WeakPolarHBondContact CD1-OG 3.47Å; Y437-S439 WeakPolarHBondContact CE1-OG 3.48Å | ||
| 438 | D | 28.2 | Very low | 28 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 63% | 0.626 | 75% | 0.747 | S | S | * | * | cis | -139.4 | 149.2 | 15.6 | -149.6 | -9.5 | 0 | 0 | 0 | 107.2 | ||||
| 439 | S | 29.7 | Very low | 28.4 | Very low | 72 Ų | 72 | 131.5 Ų | 131.5 | 50% | 0.503 | 74% | 0.735 | S | S | . | * | cis | 61.1 | 149.9 | 43.7 | 33.5 | 0 | 0 | 0 | 0 | 118 | Y437 | Y437-S439 VanDerWaalsContact CD1-OG 3.3Å; Y437-S439 WeakPolarHBondContact CD1-OG 3.47Å; Y437-S439 WeakPolarHBondContact CE1-OG 3.48Å | ||
| 440 | T | 30 | Very low | 28.7 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | trans | 155.5 | 157.3 | 150.4 | 39.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 441 | Q | 30.8 | Very low | 28.8 | Very low | 186 Ų | 186 | 133.8 Ų | 133.8 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | cis | -168 | 168.8 | -34.6 | -107.2 | 179.2 | 43.8 | 0 | 0 | 105.7 | ||||
| 442 | G | 24.6 | Very low | 28.9 | Very low | 72 Ų | 72 | 133.1 Ų | 133.1 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | cis | -148.1 | -163.5 | -5.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 443 | G | 24.9 | Very low | 29 | Very low | 79 Ų | 79 | 134.6 Ų | 134.6 | 81% | 0.814 | 76% | 0.759 | S | S | * | * | cis | 105.1 | 138.3 | 21.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 444 | N | 26.7 | Very low | 29.1 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | cis | -171.3 | 172 | -5.9 | -161.1 | -9.1 | 0 | 0 | 0 | 110.8 | ||||
| 445 | R | 28.4 | Very low | 29.3 | Very low | 228 Ų | 228 | 134.1 Ų | 134.1 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | 82.9 | 152.3 | 156.6 | -61.9 | -177.4 | 177.1 | -166.3 | -1.7 | 122.7 | ||||
| 446 | L | 33 | Very low | 29.4 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | -130.1 | 157 | 168.2 | -76.9 | 163.3 | 0 | 0 | 0 | 109.1 | ||||
| 447 | P | 40 | Very low | 29.5 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -115 | -178.7 | 153.8 | 35.3 | -22.7 | 0 | 0 | 0 | 112.3 | ||||
| 448 | N | 28.7 | Very low | 29.4 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | trans | -140 | 169.8 | -160.9 | -171.6 | 37.1 | 0 | 0 | 0 | 114 | ||||
| 449 | H | 31.6 | Very low | 29.7 | Very low | 134 Ų | 134 | 130.1 Ų | 130.1 | 62% | 0.62 | 79% | 0.785 | S | S | * | * | trans | 106.2 | 120.8 | 160.2 | -65.7 | -83 | 0 | 0 | 0 | 120.7 | ||||
| 450 | H | 27.8 | Very low | 29.8 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | 49.3 | 145.8 | 148.4 | -47.4 | -52.9 | 0 | 0 | 0 | 120.1 | ||||
| 451 | T | 27.9 | Very low | 30 | Very low | 148 Ų | 148 | 132.7 Ų | 132.7 | 91% | 0.908 | 80% | 0.804 | S | S | * | * | cis | -124.8 | -161.7 | 20.8 | 53.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 452 | G | 27.4 | Very low | 29.8 | Very low | 68 Ų | 68 | 129.4 Ų | 129.4 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | -158.3 | 170.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 453 | T | 27.3 | Very low | 30 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 93% | 0.933 | 81% | 0.808 | S | S | * | * | trans | -154.3 | 162.4 | 176.2 | 15.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 454 | Q | 27.7 | Very low | 30.1 | Very low | 185 Ų | 185 | 133.9 Ų | 133.9 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -77.9 | 163.9 | 173.4 | -63.8 | 172.6 | 11.5 | 0 | 0 | 110.7 | ||||
| 455 | S | 29.2 | Very low | 30 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | cis | -175.6 | 147.2 | -17 | 51 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 456 | G | 28.7 | Very low | 30.3 | Very low | 72 Ų | 72 | 129 Ų | 129 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | trans | 164.3 | 139.6 | 167 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 457 | P | 37.7 | Very low | 30 | Very low | 126 Ų | 126 | 124.7 Ų | 124.7 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -94.7 | 160 | 176.4 | 37.2 | -34.2 | 0 | 0 | 0 | 113 | ||||
| 458 | S | 27.2 | Very low | 29.5 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -154.4 | 157.3 | 164.1 | -81.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 459 | P | 34.8 | Very low | 29.5 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -112.3 | 175.1 | -154.6 | 41.6 | -34.1 | 0 | 0 | 0 | 115.5 | ||||
| 460 | S | 32 | Very low | 29.6 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | -66.3 | 144.6 | 169.5 | -41.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 461 | P | 34.1 | Very low | 29.7 | Very low | 129 Ų | 129 | 125.6 Ų | 125.6 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | -90.4 | 154.2 | 162.6 | 35.4 | -31.9 | 0 | 0 | 0 | 112 | ||||
| 462 | S | 26.9 | Very low | 29.6 | Very low | 116 Ų | 116 | 126 Ų | 126 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -128.2 | 145.7 | 174.4 | -66.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 463 | S | 29.2 | Very low | 29.7 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | 24.9 | 131.9 | 157.5 | -143.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 464 | S | 25.4 | Very low | 29.7 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -110.2 | 165.3 | 159 | 57.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 465 | S | 26 | Very low | 29.7 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -105.4 | 165 | -171 | -174.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 466 | D | 34.2 | Very low | 29.8 | Very low | 160 Ų | 160 | 126 Ų | 126 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -63.8 | 162 | 170.3 | -54 | -72.4 | 0 | 0 | 0 | 113.8 | ||||
| 467 | G | 26.3 | Very low | 29.7 | Very low | 76 Ų | 76 | 131.2 Ų | 131.2 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | -164.5 | 139.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 468 | D | 30.3 | Very low | 29.1 | Very low | 159 Ų | 159 | 132 Ų | 132 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -101.7 | 155.2 | -165.6 | -84.3 | -52.7 | 0 | 0 | 0 | 115.3 | ||||
| 469 | E | 27.9 | Very low | 29.1 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | 65.2 | 160.4 | 154.3 | -71 | -83.2 | 85.6 | 0 | 0 | 119.4 | ||||
| 470 | P | 34.8 | Very low | 28.5 | Very low | 116 Ų | 116 | 132 Ų | 132 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | cis | -119.7 | -178.8 | -10.6 | 38.9 | -24.5 | 0 | 0 | 0 | 113.6 | ||||
| 471 | N | 29 | Very low | 28.2 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -106.6 | 143.7 | 177.7 | 172.3 | 65.7 | 0 | 0 | 0 | 112.5 | ||||
| 472 | D | 25.4 | Very low | 27.8 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -147.1 | 156.4 | 171.9 | -139.8 | -24.6 | 0 | 0 | 0 | 112.2 | ||||
| 473 | T | 29.3 | Very low | 27.9 | Very low | 97 Ų | 97 | 133 Ų | 133 | 60% | 0.595 | 78% | 0.782 | S | S | * | * | trans | -128.4 | 149.8 | -156.6 | 56.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 474 | N | 28.4 | Very low | 27.7 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | 66.1 | 116.9 | 157.5 | -68.1 | -25.7 | 0 | 0 | 0 | 120.6 | ||||
| 475 | A | 26.3 | Very low | 27.9 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | -158.7 | 145.4 | 134.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 476 | N | 32 | Very low | 27.8 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | trans | -90.9 | 138.5 | 168.4 | -73.5 | -46.2 | 0 | 0 | 0 | 110.2 | ||||
| 477 | H | 27.1 | Very low | 27.7 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | -156.7 | 151.7 | 143.3 | -138.2 | -92.8 | 0 | 0 | 0 | 113.4 | ||||
| 478 | L | 25.5 | Very low | 28.4 | Very low | 143 Ų | 143 | 142 Ų | 142 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | -89.5 | 152.7 | 165.1 | -56.8 | 95.2 | 0 | 0 | 0 | 109.5 | ||||
| 479 | T | 26.2 | Very low | 28.5 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | 167.4 | 121.6 | 107.6 | 43.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 480 | D | 23.1 | Very low | 28.5 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 62% | 0.62 | 76% | 0.757 | S | S | * | * | 61.7 | 122 | 119 | -153.1 | 39.1 | 0 | 0 | 0 | 122.6 | |||||
| 481 | K | 25.9 | Very low | 28.3 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | trans | 61.8 | 160 | 154.4 | -74.7 | 170.2 | -165.5 | 85.2 | 0 | 117.7 | ||||
| 482 | S | 25.6 | Very low | 28.1 | Very low | 105 Ų | 105 | 139.3 Ų | 139.3 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | cis | -155.5 | 177.4 | -19.1 | 52.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 483 | S | 27.2 | Very low | 28.1 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | cis | -167.1 | 138.5 | 38.7 | 53.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 484 | R | 26.7 | Very low | 28.8 | Very low | 183 Ų | 183 | 137.5 Ų | 137.5 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | 75.8 | 107.9 | 86.1 | -153.6 | -162.9 | -176.5 | 176.9 | 3.2 | 112.1 | |||||
| 485 | W | 28.2 | Very low | 28.9 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 65% | 0.648 | 78% | 0.784 | S | S | * | * | 165.9 | 159.2 | 99.5 | -85.7 | 131.8 | 0 | 0 | 0 | 108.1 | |||||
| 486 | E | 25.2 | Very low | 29.2 | Very low | 147 Ų | 147 | 136 Ų | 136 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | cis | -165.7 | 144.8 | -13.2 | -176.3 | 162.5 | -151.4 | 0 | 0 | 109 | ||||
| 487 | D | 31.6 | Very low | 29 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -104.5 | 151.3 | 174.6 | -95.9 | -39.4 | 0 | 0 | 0 | 111.2 | ||||
| 488 | P | 41.5 | Very low | 29.1 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | trans | -114.8 | 128.1 | 157.5 | 17.8 | 1.6 | 0 | 0 | 0 | 114 | ||||
| 489 | A | 31 | Very low | 29.1 | Very low | 109 Ų | 109 | 127.8 Ų | 127.8 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | trans | -61.4 | 169.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 490 | G | 28 | Very low | 29.2 | Very low | 68 Ų | 68 | 127.7 Ų | 127.7 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | cis | 140.8 | -137.2 | 2.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 491 | R | 30.1 | Very low | 29.5 | Very low | 265 Ų | 265 | 131.5 Ų | 131.5 | 100% | 1 | 80% | 0.803 | S | S | * | * | trans | 98.7 | 131.3 | 178.6 | -62.6 | -177.9 | 166.8 | -157 | -3.4 | 117.1 | ||||
| 492 | G | 25.8 | Very low | 29.6 | Very low | 83 Ų | 83 | 127.3 Ų | 127.3 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | 139.3 | 96.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 493 | G | 24.6 | Very low | 29.8 | Very low | 74 Ų | 74 | 129.9 Ų | 129.9 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | trans | -101.3 | -167.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 494 | P | 45.4 | Very low | 29.8 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | cis | -123.2 | -162.2 | 18.4 | 42.8 | -28.9 | 0 | 0 | 0 | 114.2 | ||||
| 495 | A | 30.7 | Very low | 30.2 | Very low | 95 Ų | 95 | 125.5 Ų | 125.5 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | trans | -115 | 162.4 | -166.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 496 | S | 31.3 | Very low | 30.4 | Very low | 133 Ų | 133 | 119.9 Ų | 119.9 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | trans | -161.9 | 149.8 | 146.9 | -85.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 497 | G | 29.1 | Very low | 30.9 | Very low | 82 Ų | 82 | 117.4 Ų | 117.4 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -171.6 | 166.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 498 | D | 27.5 | Very low | 31.3 | Very low | 176 Ų | 176 | 115.5 Ų | 115.5 | 94% | 0.941 | 81% | 0.805 | S | S | * | * | trans | -150.1 | 163.6 | 159.6 | -155.4 | -10.6 | 0 | 0 | 0 | 108.3 | ||||
| 499 | G | 26.6 | Very low | 31.3 | Very low | 58 Ų | 58 | 112.6 Ų | 112.6 | 60% | 0.598 | 78% | 0.782 | S | S | * | * | trans | -120.5 | 173.6 | -163.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 500 | S | 27.2 | Very low | 31.5 | Very low | 126 Ų | 126 | 112 Ų | 112 | 88% | 0.881 | 77% | 0.769 | S | S | * | * | trans | -175.9 | 131.6 | 141.3 | 33.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 501 | Q | 31.3 | Very low | 32.1 | Very low | 196 Ų | 196 | 110.1 Ų | 110.1 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | trans | -93.1 | 109.6 | 170 | -75.5 | -176 | -18.8 | 0 | 0 | 110 | ||||
| 502 | G | 26.3 | Very low | 32.6 | Very low | 81 Ų | 81 | 103.3 Ų | 103.3 | 84% | 0.835 | 73% | 0.728 | S | S | * | * | trans | -93.9 | 95.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | G504 | G502-G504 PolarHBondContact O-N 2.62Š| ||
| 503 | N | 30.3 | Very low | 33.4 | Very low | 160 Ų | 160 | 101.7 Ų | 101.7 | 86% | 0.856 | 70% | 0.699 | S | S | * | * | trans | -78.2 | 102.5 | -173.5 | -170.3 | 13.7 | 0 | 0 | 0 | 112.4 | ||||
| 504 | G | 27 | Very low | 34.2 | Very low | 66 Ų | 66 | 101.6 Ų | 101.6 | 68% | 0.68 | 69% | 0.687 | S | S | * | * | trans | -113.2 | 97.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G502 G506 | G502-G504 PolarHBondContact O-N 2.62Å; G504-G506 PolarHBondContact O-N 3.06Å | ||
| 505 | S | 36 | Very low | 33.6 | Very low | 125 Ų | 125 | 102.4 Ų | 102.4 | 87% | 0.874 | 68% | 0.681 | S | S | * | * | trans | -72.1 | 88.9 | 179.3 | -170.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 506 | G | 31.8 | Very low | 33.7 | Very low | 52 Ų | 52 | 102 Ų | 102 | 54% | 0.536 | 68% | 0.677 | S | S | . | * | trans | -72.8 | 125 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G504 N508 | G504-G506 PolarHBondContact O-N 3.06Å; G506-N508 PolarHBondContact O-N 3.19Å | ||
| 507 | S | 36.3 | Very low | 34.2 | Very low | 95 Ų | 95 | 100.5 Ų | 100.5 | 66% | 0.664 | 66% | 0.662 | S | S | * | * | trans | -65.4 | 103.1 | 174.3 | 42.9 | 0 | 0 | 0 | 0 | 110.8 | I509 | S507-I509 PolarHBondContact O-N 3.06Š| ||
| 508 | N | 38.9 | Very low | 34.7 | Very low | 118 Ų | 118 | 107.4 Ų | 107.4 | 63% | 0.631 | 66% | 0.663 | S | S | * | * | trans | -64 | 122.8 | -178.2 | -73.5 | -36.2 | 0 | 0 | 0 | 111.2 | Q325 G506 | Q325-N508 PolarHBondContact NE2-OD1 3.05Å; G506-N508 PolarHBondContact O-N 3.19Å | ||
| 509 | I | 42.4 | Very low | 35.6 | Very low | 63 Ų | 63 | 101.9 Ų | 101.9 | 32% | 0.323 | 64% | 0.638 | S | S | . | * | trans | -103.4 | 106.8 | 167.5 | -58.3 | 177.3 | 0 | 0 | 0 | 106.5 | K282 L288 S507 S511 | K282-I509 HydrophobicContact CG-CD1 3.99Å; L288-I509 HydrophobicContact CD1-CG2 4.02Å; S507-I509 PolarHBondContact O-N 3.06Å; I509-S511 PolarHBondContact O-N 3.45Å; I509-S511 VanDerWaalsContact O-N 3.13Å | ||
| 510 | P | 36.1 | Very low | 36.8 | Very low | 97 Ų | 97 | 104.9 Ų | 104.9 | 63% | 0.63 | 64% | 0.636 | S | S | * | * | trans | -59.6 | 120.1 | 172.1 | -20 | 32.2 | 0 | 0 | 0 | 109 | L512 | P510-L512 PolarHBondContact O-N 3.41Š| ||
| 511 | S | 39.5 | Very low | 38.1 | Very low | 27 Ų | 27 | 101.8 Ų | 101.8 | 19% | 0.189 | 61% | 0.609 | C | S | . | * | trans | -60.7 | 133 | 167.3 | 169.6 | 0 | 0 | 0 | 0 | 108 | I509 L513 S514 | I509-S511 PolarHBondContact O-N 3.45Å; I509-S511 VanDerWaalsContact O-N 3.13Å; S511-L513 PolarHBondContact O-N 3.46Å; S511-L513 PolarHBondContact OG-N 3.16Å; S511-L513 VanDerWaalsContact OG-N 3.12Å; S511-S514 WeakPolarHBondContact O-CB 3.18Å; S511-S514 PolarHBondContact O-N 2.74Å; S511-S514 PolarHBondContact O-OG 3.08Å | ||
| 512 | L | 41.5 | Very low | 39.6 | Very low | 122 Ų | 122 | 97.7 Ų | 97.7 | 64% | 0.639 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -7.6 | 174.2 | -67.8 | 169.6 | 0 | 0 | 0 | 112.5 | L288 P510 | L288-L512 HydrophobicContact CB-CD1 3.87Å; L288-L512 HydrophobicContact CB-CG 4.45Å; P510-L512 PolarHBondContact O-N 3.41Å |
| 513 | L | 42.7 | Very low | 42 | Very low | 50 Ų | 50 | 96.3 Ų | 96.3 | 26% | 0.262 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111 | 16.6 | 171.2 | -58.6 | 173.8 | 0 | 0 | 0 | 112.6 | E262 S511 M515 T517 | E262-L513 HydrophobicContact CB-CD1 4.38Å; S511-L513 PolarHBondContact O-N 3.46Å; S511-L513 PolarHBondContact OG-N 3.16Å; S511-L513 VanDerWaalsContact OG-N 3.12Å; L513-M515 CarbonylContact C-O 3.51Å; L513-T517 HydrophobicContact CD2-CG2 4.37Å |
| 514 | S | 39.6 | Very low | 44.4 | Very low | 72 Ų | 72 | 95 Ų | 95 | 50% | 0.503 | 56% | 0.564 | S | S | . | * | trans | -74.2 | -28.1 | 171.9 | 61.4 | 0 | 0 | 0 | 0 | 112.7 | S511 A516 | S511-S514 WeakPolarHBondContact O-CB 3.18Å; S511-S514 PolarHBondContact O-N 2.74Å; S511-S514 PolarHBondContact O-OG 3.08Å; S514-A516 PolarHBondContact O-N 3.4Å | ||
| 515 | M | 33.9 | Very low | 47.3 | Very low | 157 Ų | 157 | 94.2 Ų | 94.2 | 77% | 0.773 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -66.2 | 116.7 | 154.6 | -77.4 | -162.4 | 161.5 | 0 | 0 | 107.9 | L513 T517 | L513-M515 CarbonylContact C-O 3.51Å; M515-T517 PolarHBondContact O-N 3.25Å |
| 516 | A | 32.8 | Very low | 49.8 | Very low | 85 Ų | 85 | 90.5 Ų | 90.5 | 70% | 0.702 | 52% | 0.519 | S | S | * | . | trans | -56.4 | 109.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | S514 R518 | S514-A516 PolarHBondContact O-N 3.4Å; A516-R518 PolarHBondContact O-N 3.3Å | ||
| 517 | T | 41.5 | Very low | 52.6 | Low | 102 Ų | 102 | 93.8 Ų | 93.8 | 63% | 0.626 | 53% | 0.531 | S | S | * | . | trans | -67.5 | 85.9 | 179.6 | 49.5 | 0 | 0 | 0 | 0 | 108.8 | L513 M515 S519 | L513-T517 HydrophobicContact CD2-CG2 4.37Å; M515-T517 PolarHBondContact O-N 3.25Å; T517-S519 WeakPolarHBondContact O-CA 3.49Å; T517-S519 PolarHBondContact O-N 3.42Å; T517-S519 VanDerWaalsContact O-N 3.1Å | ||
| 518 | R | 40.7 | Very low | 55.3 | Low | 227 Ų | 227 | 91.7 Ų | 91.7 | 86% | 0.857 | 51% | 0.512 | S | S | * | . | trans | -47 | 120.6 | 167.4 | -83.4 | -175.4 | 166.4 | -176.4 | -3.8 | 107.1 | A516 H520 | A516-R518 PolarHBondContact O-N 3.3Å; R518-H520 PolarHBondContact O-CD2 3.25Å; R518-H520 PolarHBondContact O-N 2.97Å | ||
| 519 | S | 45.3 | Very low | 57.9 | Low | 61 Ų | 61 | 87.9 Ų | 87.9 | 43% | 0.427 | 49% | 0.493 | S | S | . | . | trans | -79.5 | 93.3 | -149.6 | 34.8 | 0 | 0 | 0 | 0 | 112.1 | T517 M521 D522 | T517-S519 WeakPolarHBondContact O-CA 3.49Å; T517-S519 PolarHBondContact O-N 3.42Å; T517-S519 VanDerWaalsContact O-N 3.1Å; S519-M521 PolarHBondContact O-N 3.4Å; S519-D522 WeakPolarHBondContact CB-OD2 3.25Å; S519-D522 PolarHBondContact O-N 3.34Å; S519-D522 PolarHBondContact OG-OD2 2.87Å | ||
| 520 | H | 51.5 | Low | 60.2 | Low | 121 Ų | 121 | 94.1 Ų | 94.1 | 56% | 0.56 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -9.4 | 165.2 | -69.4 | -78.6 | 0 | 0 | 0 | 113.3 | R518 I523 P635 | R518-H520 PolarHBondContact O-CD2 3.25Å; R518-H520 PolarHBondContact O-N 2.97Å; H520-I523 WeakPolarHBondContact O-CG1 3.25Å; H520-P635 WeakPolarHBondContact O-CD 3.4Å |
| 521 | M | 54.7 | Low | 63 | Low | 61 Ų | 61 | 90.6 Ų | 90.6 | 30% | 0.3 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -32.8 | 166.3 | -68.2 | 173.2 | 49.6 | 0 | 0 | 113 | W119 S519 I523 | W119-M521 HydrophobicContact CD2-CE 4.34Å; W119-M521 HydrophobicContact CE3-CE 3.56Å; W119-M521 HydrophobicContact CE3-CG 3.84Å; W119-M521 HydrophobicContact CE3-SD 3.98Å; W119-M521 HydrophobicContact CZ3-CB 4.17Å; W119-M521 HydrophobicContact CZ3-CE 3.93Å; W119-M521 HydrophobicContact CZ3-CG 3.89Å; W119-M521 HydrophobicContact CZ3-SD 4.5Å; S519-M521 PolarHBondContact O-N 3.4Å; M521-I523 VanDerWaalsContact C-N 3.31Å; M521-I523 PolarHBondContact O-N 2.94Å |
| 522 | D | 62.3 | Low | 65.5 | Low | 110 Ų | 110 | 91.5 Ų | 91.5 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | trans | -94.8 | 28.5 | -172.2 | -59.4 | -28.4 | 0 | 0 | 0 | 112.8 | S519 T524 | S519-D522 WeakPolarHBondContact CB-OD2 3.25Å; S519-D522 PolarHBondContact O-N 3.34Å; S519-D522 PolarHBondContact OG-OD2 2.87Å; D522-T524 PolarHBondContact O-N 3.3Å | ||
| 523 | I | 77.1 | Confident | 68.1 | Low | 51 Ų | 51 | 89.5 Ų | 89.5 | 26% | 0.262 | 51% | 0.506 | S | S | . | . | trans | -57.3 | 115.6 | 170 | -62.5 | -177.9 | 0 | 0 | 0 | 108.2 | H520 M521 K622 T634 P635 L637 | H520-I523 WeakPolarHBondContact O-CG1 3.25Å; M521-I523 VanDerWaalsContact C-N 3.31Å; M521-I523 PolarHBondContact O-N 2.94Å; I523-K622 WeakPolarHBondContact O-CE 3.28Å; I523-K622 PolarHBondContact O-NZ 3.29Å; I523-T634 HydrophobicContact CD1-CG2 4.38Å; I523-P635 HydrophobicContact CD1-CG 4.01Å; I523-L637 HydrophobicContact CG2-CD1 3.88Å; I523-L637 HydrophobicContact CG2-CD2 4.04Å; I523-L637 HydrophobicContact CG2-CG 4.33Å | ||
| 524 | T | 80.2 | Confident | 70.6 | Confident | 133 Ų | 133 | 90 Ų | 90 | 82% | 0.816 | 51% | 0.507 | S | S | * | . | trans | -72.1 | 132.1 | 179.8 | 45.7 | 0 | 0 | 0 | 0 | 110 | D522 | D522-T524 PolarHBondContact O-N 3.3Š| ||
| 525 | T | 87.8 | Confident | 73.3 | Confident | 49 Ų | 49 | 86.7 Ų | 86.7 | 30% | 0.301 | 48% | 0.483 | S | S | . | . | trans | -120.7 | 156.6 | 176.1 | 48.5 | 0 | 0 | 0 | 0 | 109.2 | I620 K622 L637 | T525-I620 HydrophobicContact CG2-CB 4.17Å; T525-I620 HydrophobicContact CG2-CG2 3.84Å; T525-K622 HydrophobicContact CG2-CG 4.36Å; T525-L637 HydrophobicContact CG2-CD2 3.77Å | ||
| 526 | P | 88.9 | Confident | 76.3 | Confident | 47 Ų | 47 | 81.6 Ų | 81.6 | 31% | 0.305 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 147.6 | 169.2 | -25.2 | 34.9 | 0 | 0 | 0 | 111.5 | P618 I620 | P526-P618 HydrophobicContact CG-CG 4.3Å; P526-I620 HydrophobicContact CG-CG1 4.25Å |
| 527 | P | 90.9 | Very high | 79.3 | Confident | 122 Ų | 122 | 84.1 Ų | 84.1 | 79% | 0.792 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 140.3 | 176.5 | 27.1 | -34.5 | 0 | 0 | 0 | 110.6 | ||
| 528 | L | 93.8 | Very high | 82 | Confident | 51 Ų | 51 | 80.4 Ų | 80.4 | 27% | 0.267 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 143.8 | -179.4 | -60.4 | 175.6 | 0 | 0 | 0 | 111.2 | F594 V619 | L528-F594 HydrophobicContact CB-CE1 4.09Å; L528-F594 HydrophobicContact CD1-CE1 4.39Å; L528-F594 HydrophobicContact CD1-CZ 4.26Å; L528-F594 HydrophobicContact CD2-CE1 4.22Å; L528-F594 HydrophobicContact CD2-CZ 3.88Å; L528-F594 HydrophobicContact CG-CE1 4.46Å; L528-F594 HydrophobicContact CG-CZ 4.46Å; L528-V619 HydrophobicContact CD2-CG1 4.45Å |
| 529 | P | 92.6 | Very high | 84.7 | Confident | 37 Ų | 37 | 69.6 Ų | 69.6 | 24% | 0.24 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 140.3 | 171.7 | -24.9 | 34.7 | 0 | 0 | 0 | 112.1 | V531 F594 V619 | P529-V531 PolarHBondContact O-N 2.94Å; P529-F594 HydrophobicContact CB-CD1 4.38Å; P529-F594 HydrophobicContact CG-CB 4.2Å; P529-F594 HydrophobicContact CG-CD1 4.26Å; P529-F594 HydrophobicContact CG-CG 4.47Å; P529-V619 HydrophobicContact CG-CB 4.49Å; P529-V619 HydrophobicContact CG-CG1 4.26Å; P529-V619 HydrophobicContact CG-CG2 3.42Å; P529-V619 VanDerWaalsContact CG-CG2 3.42Å |
| 530 | Q | 91.1 | Very high | 87.1 | Confident | 195 Ų | 195 | 69.8 Ų | 69.8 | 91% | 0.911 | 38% | 0.381 | S | S | * | . | trans | -63.3 | 109.4 | -179.9 | -171.9 | -175.9 | 16.9 | 0 | 0 | 111.5 | ||||
| 531 | V | 93.9 | Very high | 89.2 | Confident | 22 Ų | 22 | 68.8 Ų | 68.8 | 13% | 0.133 | 38% | 0.376 | C | S | . | . | trans | -78.2 | 137.5 | 171.8 | -174 | 0 | 0 | 0 | 0 | 109.3 | P529 V535 L536 L556 F594 | P529-V531 PolarHBondContact O-N 2.94Å; V531-V535 HydrophobicContact CG1-CB 4.04Å; V531-V535 HydrophobicContact CG1-CG1 3.67Å; V531-L536 HydrophobicContact CB-CD1 4.3Å; V531-L536 HydrophobicContact CB-CD2 3.92Å; V531-L536 HydrophobicContact CB-CG 3.99Å; V531-L536 HydrophobicContact CG1-CD2 3.79Å; V531-L536 HydrophobicContact CG1-CG 3.84Å; V531-L556 HydrophobicContact CG1-CD2 4.19Å; V531-L556 HydrophobicContact CG2-CD2 3.86Å; V531-F594 HydrophobicContact CG2-CD1 4.27Å; V531-F594 HydrophobicContact CG2-CE1 4.29Å | ||
| 532 | S | 93.2 | Very high | 91.2 | Very high | 47 Ų | 47 | 68.6 Ų | 68.6 | 33% | 0.329 | 37% | 0.372 | S | S | . | . | trans | -64.5 | 137.5 | -179.9 | 74.1 | 0 | 0 | 0 | 0 | 112 | E534 V535 L536 | S532-E534 PolarHBondContact O-N 3.41Å; S532-E534 VanDerWaalsContact O-N 3.12Å; S532-V535 WeakPolarHBondContact O-CA 3.47Å; S532-V535 WeakPolarHBondContact O-CB 3.44Å; S532-V535 PolarHBondContact O-N 3.22Å; S532-V535 WeakPolarHBondContact OG-CG2 3.39Å; S532-L536 PolarHBondContact O-N 3.5Å; S532-L536 VanDerWaalsContact O-N 3.07Å | ||
| 533 | A | 95.2 | Very high | 92.8 | Very high | 80 Ų | 80 | 63.3 Ų | 63.3 | 66% | 0.661 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -56 | -32.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114 | L536 R537 | A533-L536 PolarHBondContact O-N 3.26Å; A533-R537 WeakPolarHBondContact O-CB 3.44Å; A533-R537 PolarHBondContact O-N 2.94Å |
| 534 | E | 95.6 | Very high | 93.7 | Very high | 61 Ų | 61 | 62.5 Ų | 62.5 | 29% | 0.285 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 174 | 161.8 | 148 | -117.7 | 0 | 0 | 112.9 | S532 R537 V538 R652 L656 | S532-E534 PolarHBondContact O-N 3.41Å; S532-E534 VanDerWaalsContact O-N 3.12Å; E534-R537 VanDerWaalsContact CD-NH2 3.28Å; E534-R537 PolarHBondContact O-N 3.28Å; E534-R537 IonicContact OE1-CZ 3.95Å; E534-R537 IonicContact OE1-NH1 3.75Å; E534-R537 IonicContact OE1-NH2 2.65Å; E534-R537 PolarHBondContact OE1-NH2 2.96Å; E534-V538 WeakPolarHBondContact O-CG2 3.31Å; E534-V538 PolarHBondContact O-N 2.8Å; E534-R652 IonicContact OE2-CZ 3.42Å; E534-R652 IonicContact OE2-NH1 3.76Å; E534-R652 PolarHBondContact OE2-NH1 2.96Å; E534-R652 IonicContact OE2-NH2 2.88Å; E534-R652 PolarHBondContact OE2-NH2 3.46Å; E534-L656 HydrophobicContact CG-CD1 3.51Å |
| 535 | V | 96.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.012 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.4 | -40 | 174.4 | 166.9 | 0 | 0 | 0 | 0 | 110.6 | V531 S532 V538 A539 L651 R652 W655 | V531-V535 HydrophobicContact CG1-CB 4.04Å; V531-V535 HydrophobicContact CG1-CG1 3.67Å; S532-V535 WeakPolarHBondContact O-CA 3.47Å; S532-V535 WeakPolarHBondContact O-CB 3.44Å; S532-V535 PolarHBondContact O-N 3.22Å; S532-V535 WeakPolarHBondContact OG-CG2 3.39Å; V535-V538 PolarHBondContact O-N 2.79Å; V535-A539 WeakPolarHBondContact O-CB 3.34Å; V535-A539 PolarHBondContact O-N 2.75Å; V535-L651 HydrophobicContact CG1-CD2 3.56Å; V535-L651 HydrophobicContact CG1-CG 4.15Å; V535-R652 HydrophobicContact CG2-CB 4.07Å; V535-W655 HydrophobicContact CG1-CE3 3.96Å; V535-W655 HydrophobicContact CG1-CZ3 3.83Å |
| 536 | L | 97.1 | Very high | 94.6 | Very high | 50 Ų | 50 | 59.7 Ų | 59.7 | 26% | 0.262 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 174.7 | -68 | 176.3 | 0 | 0 | 0 | 112.1 | V531 S532 A533 V538 A539 E540 L556 T557 | V531-L536 HydrophobicContact CB-CD1 4.3Å; V531-L536 HydrophobicContact CB-CD2 3.92Å; V531-L536 HydrophobicContact CB-CG 3.99Å; V531-L536 HydrophobicContact CG1-CD2 3.79Å; V531-L536 HydrophobicContact CG1-CG 3.84Å; S532-L536 PolarHBondContact O-N 3.5Å; S532-L536 VanDerWaalsContact O-N 3.07Å; A533-L536 PolarHBondContact O-N 3.26Å; L536-V538 VanDerWaalsContact C-N 3.31Å; L536-V538 PolarHBondContact O-N 2.69Å; L536-A539 WeakPolarHBondContact O-CB 3.29Å; L536-A539 PolarHBondContact O-N 3.33Å; L536-E540 PolarHBondContact O-N 2.8Å; L536-L556 HydrophobicContact CD2-CB 4.14Å; L536-T557 HydrophobicContact CD2-CG2 3.94Å |
| 537 | R | 96.2 | Very high | 94.9 | Very high | 137 Ų | 137 | 60.3 Ų | 60.3 | 52% | 0.517 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.7 | -41.1 | 173 | 171.6 | 174.7 | 50.8 | 65 | -8.4 | 112.3 | A533 E534 H541 | A533-R537 WeakPolarHBondContact O-CB 3.44Å; A533-R537 PolarHBondContact O-N 2.94Å; E534-R537 VanDerWaalsContact CD-NH2 3.28Å; E534-R537 PolarHBondContact O-N 3.28Å; E534-R537 IonicContact OE1-CZ 3.95Å; E534-R537 IonicContact OE1-NH1 3.75Å; E534-R537 IonicContact OE1-NH2 2.65Å; E534-R537 PolarHBondContact OE1-NH2 2.96Å; R537-H541 VanDerWaalsContact O-CB 3.31Å; R537-H541 WeakPolarHBondContact O-CB 3.36Å; R537-H541 PolarHBondContact O-N 3.34Å |
| 538 | V | 96.3 | Very high | 95 | Very high | 24 Ų | 24 | 54.5 Ų | 54.5 | 15% | 0.145 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.9 | -39 | 176.6 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | E534 V535 L536 R542 W655 L656 | E534-V538 WeakPolarHBondContact O-CG2 3.31Å; E534-V538 PolarHBondContact O-N 2.8Å; V535-V538 PolarHBondContact O-N 2.79Å; L536-V538 VanDerWaalsContact C-N 3.31Å; L536-V538 PolarHBondContact O-N 2.69Å; V538-R542 HydrophobicContact CG1-CG 4.37Å; V538-R542 VanDerWaalsContact O-CB 3.3Å; V538-R542 WeakPolarHBondContact O-CB 3.31Å; V538-R542 VanDerWaalsContact O-CG 3.28Å; V538-R542 WeakPolarHBondContact O-CG 3.17Å; V538-R542 PolarHBondContact O-N 3.41Å; V538-W655 HydrophobicContact CG1-CE3 4.19Å; V538-L656 HydrophobicContact CG2-CD2 4.17Å |
| 539 | A | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.1 | -47 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V535 L536 R542 H543 M548 Y553 L556 W655 | V535-A539 WeakPolarHBondContact O-CB 3.34Å; V535-A539 PolarHBondContact O-N 2.75Å; L536-A539 WeakPolarHBondContact O-CB 3.29Å; L536-A539 PolarHBondContact O-N 3.33Å; A539-R542 PolarHBondContact O-N 2.62Å; A539-H543 WeakPolarHBondContact O-CB 3.3Å; A539-H543 PolarHBondContact O-N 3.15Å; A539-M548 HydrophobicContact CB-CE 4.17Å; A539-M548 WeakPolarHBondContact O-CE 3.29Å; A539-Y553 HydrophobicContact CB-CD2 4.07Å; A539-L556 HydrophobicContact CB-CD1 3.94Å; A539-W655 HydrophobicContact CB-CH2 4.29Å; A539-W655 HydrophobicContact CB-CZ3 4.06Å |
| 540 | E | 96.6 | Very high | 95.2 | Very high | 66 Ų | 66 | 52 Ų | 52 | 31% | 0.308 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.6 | -46.9 | 178.7 | -160.9 | -164.7 | 158.5 | 0 | 0 | 111.9 | L177 L536 R542 H543 R544 Y553 | L177-E540 HydrophobicContact CD1-CG 4.44Å; L177-E540 HydrophobicContact CD2-CG 4.11Å; L536-E540 PolarHBondContact O-N 2.8Å; E540-R542 VanDerWaalsContact C-N 3.32Å; E540-R542 PolarHBondContact O-N 2.77Å; E540-H543 PolarHBondContact O-N 3.13Å; E540-R544 HydrophobicContact CG-CG 4.33Å; E540-R544 WeakPolarHBondContact O-CB 3.47Å; E540-R544 PolarHBondContact O-N 2.92Å; E540-R544 IonicContact OE1-CZ 2.78Å; E540-R544 IonicContact OE1-NE 3.29Å; E540-R544 PolarHBondContact OE1-NE 2.98Å; E540-R544 IonicContact OE1-NH2 3.24Å; E540-Y553 HydrophobicContact CB-CD2 4.01Å; E540-Y553 HydrophobicContact CB-CE2 3.65Å; E540-Y553 HydrophobicContact CG-CD2 4.42Å; E540-Y553 HydrophobicContact CG-CE2 3.89Å |
| 541 | H | 95.6 | Very high | 95.4 | Very high | 100 Ų | 100 | 44.2 Ų | 44.2 | 46% | 0.463 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.6 | -41.8 | 178.5 | 179.6 | 86.3 | 0 | 0 | 0 | 112.1 | R537 R545 | R537-H541 VanDerWaalsContact O-CB 3.31Å; R537-H541 WeakPolarHBondContact O-CB 3.36Å; R537-H541 PolarHBondContact O-N 3.34Å; H541-R545 VanDerWaalsContact CE1-CD 3.49Å; H541-R545 WeakPolarHBondContact CE1-CD 3.46Å; H541-R545 WeakPolarHBondContact NE2-CD 3.5Å; H541-R545 PolarHBondContact NE2-NH1 3.05Å; H541-R545 VanDerWaalsContact NE2-NH1 3.19Å; H541-R545 WeakPolarHBondContact O-CB 3.41Å; H541-R545 WeakPolarHBondContact O-CG 3.37Å; H541-R545 PolarHBondContact O-N 2.9Å |
| 542 | R | 95.8 | Very high | 95.6 | Very high | 56 Ų | 56 | 43.1 Ų | 43.1 | 21% | 0.211 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.3 | -42.1 | 175 | -73.1 | 178.1 | 171 | -129.3 | -3.6 | 111.5 | V538 A539 E540 G546 L547 M548 Q768 | V538-R542 HydrophobicContact CG1-CG 4.37Å; V538-R542 VanDerWaalsContact O-CB 3.3Å; V538-R542 WeakPolarHBondContact O-CB 3.31Å; V538-R542 VanDerWaalsContact O-CG 3.28Å; V538-R542 WeakPolarHBondContact O-CG 3.17Å; V538-R542 PolarHBondContact O-N 3.41Å; A539-R542 PolarHBondContact O-N 2.62Å; E540-R542 VanDerWaalsContact C-N 3.32Å; E540-R542 PolarHBondContact O-N 2.77Å; R542-G546 PolarHBondContact O-N 3.3Å; R542-G546 VanDerWaalsContact O-N 3.14Å; R542-L547 HydrophobicContact CB-CB 4.17Å; R542-L547 HydrophobicContact CG-CB 4.28Å; R542-L547 PolarHBondContact O-N 2.8Å; R542-M548 HydrophobicContact CB-CB 3.74Å; R542-M548 HydrophobicContact CB-CE 4.49Å; R542-M548 HydrophobicContact CB-SD 4.28Å; R542-Q768 VanDerWaalsContact NH1-CD 3.27Å |
| 543 | H | 96.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.9 | -61.9 | 176.4 | -178.5 | 103.9 | 0 | 0 | 0 | 110.7 | G112 Q175 T176 L177 A539 E540 R545 G546 M548 P550 | G112-H543 PolarHBondContact O-CE1 3.42Å; G112-H543 VanDerWaalsContact O-CE1 3.28Å; Q175-H543 VanDerWaalsContact CB-O 3.31Å; Q175-H543 WeakPolarHBondContact CB-O 3.15Å; Q175-H543 PolarHBondContact NE2-CE1 3.16Å; Q175-H543 PolarHBondContact NE2-ND1 3.28Å; Q175-H543 PolarHBondContact NE2-O 3.05Å; T176-H543 PolarHBondContact O-NE2 3.41Å; L177-H543 WeakPolarHBondContact CD1-CD2 3.23Å; A539-H543 WeakPolarHBondContact O-CB 3.3Å; A539-H543 PolarHBondContact O-N 3.15Å; E540-H543 PolarHBondContact O-N 3.13Å; H543-R545 PolarHBondContact O-N 2.92Å; H543-R545 VanDerWaalsContact O-N 3.09Å; H543-G546 WeakPolarHBondContact O-CA 3.41Å; H543-G546 PolarHBondContact O-N 2.85Å; H543-M548 HydrophobicContact CB-CE 3.94Å; H543-P550 PolarHBondContact CE1-O 3.09Å; H543-P550 PolarHBondContact ND1-O 3.31Å |
| 544 | R | 95.4 | Very high | 95.8 | Very high | 33 Ų | 33 | 39 Ų | 39 | 13% | 0.125 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.6 | -28.9 | -174 | -74.4 | -172.7 | 174.7 | -79.5 | 9.1 | 113.8 | Q175 L177 E183 L360 E540 | Q175-R544 PolarHBondContact N-O 3.37Å; Q175-R544 WeakPolarHBondContact O-CA 3.22Å; L177-R544 VanDerWaalsContact CD2-NH2 3.29Å; E183-R544 IonicContact OE2-CZ 3.45Å; E183-R544 IonicContact OE2-NH1 3.75Å; E183-R544 PolarHBondContact OE2-NH1 3.18Å; L360-R544 HydrophobicContact CD2-CB 3.74Å; L360-R544 HydrophobicContact CD2-CG 4.26Å; E540-R544 HydrophobicContact CG-CG 4.33Å; E540-R544 WeakPolarHBondContact O-CB 3.47Å; E540-R544 PolarHBondContact O-N 2.92Å; E540-R544 IonicContact OE1-CZ 2.78Å; E540-R544 IonicContact OE1-NE 3.29Å; E540-R544 PolarHBondContact OE1-NE 2.98Å; E540-R544 IonicContact OE1-NH2 3.24Å |
| 545 | R | 94.3 | Very high | 96 | Very high | 124 Ų | 124 | 36.1 Ų | 36.1 | 47% | 0.468 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 2.4 | 175.6 | -63.8 | -175.8 | 67.6 | -162.7 | 0.5 | 114.3 | F167 H541 H543 L547 | F167-R545 WeakPolarHBondContact CZ-O 3.29Å; H541-R545 VanDerWaalsContact CE1-CD 3.49Å; H541-R545 WeakPolarHBondContact CE1-CD 3.46Å; H541-R545 WeakPolarHBondContact NE2-CD 3.5Å; H541-R545 PolarHBondContact NE2-NH1 3.05Å; H541-R545 VanDerWaalsContact NE2-NH1 3.19Å; H541-R545 WeakPolarHBondContact O-CB 3.41Å; H541-R545 WeakPolarHBondContact O-CG 3.37Å; H541-R545 PolarHBondContact O-N 2.9Å; H543-R545 PolarHBondContact O-N 2.92Å; H543-R545 VanDerWaalsContact O-N 3.09Å; R545-L547 VanDerWaalsContact C-N 3.31Å; R545-L547 HydrophobicContact CB-CD1 3.91Å; R545-L547 HydrophobicContact CB-CG 3.91Å; R545-L547 PolarHBondContact O-N 3.09Å |
| 546 | G | 94.2 | Very high | 96 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68 | 21.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.3 | R163 F167 R542 H543 M548 | R163-G546 WeakPolarHBondContact CD-O 3.15Å; R163-G546 PolarHBondContact NH1-O 3.21Å; F167-G546 WeakPolarHBondContact CE2-O 3.46Å; F167-G546 WeakPolarHBondContact CZ-O 3.43Å; R542-G546 PolarHBondContact O-N 3.3Å; R542-G546 VanDerWaalsContact O-N 3.14Å; H543-G546 WeakPolarHBondContact O-CA 3.41Å; H543-G546 PolarHBondContact O-N 2.85Å; G546-M548 VanDerWaalsContact C-N 3.3Å; G546-M548 PolarHBondContact O-N 3.39Å |
| 547 | L | 94.4 | Very high | 95.9 | Very high | 59 Ų | 59 | 36.4 Ų | 36.4 | 31% | 0.309 | 16% | 0.162 | S | C | . | . | trans | -90.4 | 15.8 | -176.6 | -56.8 | 173.2 | 0 | 0 | 0 | 113.5 | F167 R542 R545 Q768 | F167-L547 HydrophobicContact CE1-CD2 3.92Å; F167-L547 HydrophobicContact CE2-CD2 4.38Å; F167-L547 HydrophobicContact CZ-CD2 3.76Å; R542-L547 HydrophobicContact CB-CB 4.17Å; R542-L547 HydrophobicContact CG-CB 4.28Å; R542-L547 PolarHBondContact O-N 2.8Å; R545-L547 VanDerWaalsContact C-N 3.31Å; R545-L547 HydrophobicContact CB-CD1 3.91Å; R545-L547 HydrophobicContact CB-CG 3.91Å; R545-L547 PolarHBondContact O-N 3.09Å; L547-Q768 PolarHBondContact O-NE2 3.28Å | ||
| 548 | M | 94.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -161.7 | 150.1 | -174.5 | 177.8 | -179.8 | 74.4 | 0 | 0 | 110.3 | A539 R542 H543 G546 I552 W655 D764 | A539-M548 HydrophobicContact CB-CE 4.17Å; A539-M548 WeakPolarHBondContact O-CE 3.29Å; R542-M548 HydrophobicContact CB-CB 3.74Å; R542-M548 HydrophobicContact CB-CE 4.49Å; R542-M548 HydrophobicContact CB-SD 4.28Å; H543-M548 HydrophobicContact CB-CE 3.94Å; G546-M548 VanDerWaalsContact C-N 3.3Å; G546-M548 PolarHBondContact O-N 3.39Å; M548-I552 HydrophobicContact CE-CB 3.9Å; M548-I552 HydrophobicContact CE-CG2 3.94Å; M548-I552 HydrophobicContact CG-CB 4.09Å; M548-I552 HydrophobicContact CG-CD1 3.75Å; M548-I552 HydrophobicContact CG-CG1 4.44Å; M548-I552 HydrophobicContact CG-CG2 4.35Å; M548-I552 HydrophobicContact SD-CB 3.82Å; M548-I552 HydrophobicContact SD-CD1 4.27Å; M548-I552 HydrophobicContact SD-CG2 3.53Å; M548-I552 VanDerWaalsContact SD-CG2 3.53Å; M548-W655 HydrophobicContact SD-CH2 4.03Å; M548-D764 WeakPolarHBondContact CA-OD2 3.3Å; M548-D764 HydrophobicContact CG-CB 4.31Å |
| 549 | Y | 96.2 | Very high | 95.9 | Very high | 11 Ų | 11 | 33.5 Ų | 33.5 | 4% | 0.043 | 15% | 0.152 | C | C | . | . | trans | -51.3 | 128.5 | 177.7 | -173 | -84.7 | 0 | 0 | 0 | 111.1 | H160 Q551 I552 M561 D757 F761 D764 | H160-Y549 AromaticContact CE1-CD2 3.65Å; H160-Y549 AromaticContact ND1-CD2 3.34Å; H160-Y549 VanDerWaalsContact ND1-CD2 3.34Å; H160-Y549 WeakPolarHBondContact ND1-CD2 3.49Å; H160-Y549 AromaticContact ND1-CE2 3.87Å; Y549-Q551 HydrophobicContact CD1-CB 4.06Å; Y549-Q551 HydrophobicContact CD1-CG 4.25Å; Y549-Q551 HydrophobicContact CE1-CB 3.82Å; Y549-Q551 HydrophobicContact CE1-CG 3.69Å; Y549-Q551 PolarHBondContact O-N 2.96Å; Y549-I552 PolarHBondContact O-N 3.19Å; Y549-I552 VanDerWaalsContact O-N 3.17Å; Y549-M561 HydrophobicContact CE1-CE 4.12Å; Y549-D757 WeakPolarHBondContact CE2-OD2 3.36Å; Y549-D757 PolarHBondContact OH-OD2 3.43Å; Y549-F761 HydrophobicContact CD1-CB 4.07Å; Y549-F761 AromaticContact CD1-CD2 3.6Å; Y549-F761 HydrophobicContact CD1-CD2 3.6Å; Y549-F761 HydrophobicContact CD1-CG 4.22Å; Y549-F761 HydrophobicContact CD2-CB 3.64Å; Y549-F761 HydrophobicContact CE1-CB 4.17Å; Y549-F761 HydrophobicContact CE1-CD2 4.02Å; Y549-F761 HydrophobicContact CE1-CG 4.35Å; Y549-F761 HydrophobicContact CE2-CB 3.79Å; Y549-F761 HydrophobicContact CG-CB 3.83Å; Y549-F761 AromaticContact CG-CD2 3.98Å; Y549-F761 HydrophobicContact CG-CD2 3.98Å; Y549-F761 HydrophobicContact CG-CG 4.39Å; Y549-D764 PolarHBondContact N-OD2 3.5Å | ||
| 550 | P | 92.8 | Very high | 95.8 | Very high | 25 Ų | 25 | 33.8 Ų | 33.8 | 16% | 0.162 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -18.2 | -161.5 | -25.8 | 33 | 0 | 0 | 0 | 116.9 | H543 | H543-P550 PolarHBondContact CE1-O 3.09Å; H543-P550 PolarHBondContact ND1-O 3.31Å |
| 551 | Q | 95.8 | Very high | 95.6 | Very high | 30 Ų | 30 | 30.9 Ų | 30.9 | 14% | 0.14 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -12.4 | -172.7 | -49.3 | -159.9 | 68.5 | 0 | 0 | 113.4 | Y549 Y553 H554 I555 M561 K562 | Y549-Q551 HydrophobicContact CD1-CB 4.06Å; Y549-Q551 HydrophobicContact CD1-CG 4.25Å; Y549-Q551 HydrophobicContact CE1-CB 3.82Å; Y549-Q551 HydrophobicContact CE1-CG 3.69Å; Y549-Q551 PolarHBondContact O-N 2.96Å; Q551-Y553 PolarHBondContact O-N 2.9Å; Q551-H554 PolarHBondContact O-N 2.82Å; Q551-H554 VanDerWaalsContact O-N 3.15Å; Q551-I555 HydrophobicContact CB-CD1 4.25Å; Q551-I555 WeakPolarHBondContact O-CD1 3.46Å; Q551-I555 VanDerWaalsContact O-CG1 3.32Å; Q551-I555 WeakPolarHBondContact O-CG1 3.47Å; Q551-I555 PolarHBondContact O-N 2.83Å; Q551-M561 HydrophobicContact CB-CG 4.22Å; Q551-K562 PolarHBondContact NE2-O 2.89Å; Q551-K562 PolarHBondContact OE1-O 3.17Å |
| 552 | I | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61 | -41 | -174.8 | -72.1 | 171.1 | 0 | 0 | 0 | 112.3 | M548 Y549 H554 I555 L556 L593 W655 F761 D764 V765 | M548-I552 HydrophobicContact CE-CB 3.9Å; M548-I552 HydrophobicContact CE-CG2 3.94Å; M548-I552 HydrophobicContact CG-CB 4.09Å; M548-I552 HydrophobicContact CG-CD1 3.75Å; M548-I552 HydrophobicContact CG-CG1 4.44Å; M548-I552 HydrophobicContact CG-CG2 4.35Å; M548-I552 HydrophobicContact SD-CB 3.82Å; M548-I552 HydrophobicContact SD-CD1 4.27Å; M548-I552 HydrophobicContact SD-CG2 3.53Å; M548-I552 VanDerWaalsContact SD-CG2 3.53Å; Y549-I552 PolarHBondContact O-N 3.19Å; Y549-I552 VanDerWaalsContact O-N 3.17Å; I552-H554 PolarHBondContact O-N 2.9Å; I552-I555 PolarHBondContact O-N 3.23Å; I552-L556 HydrophobicContact CG2-CD1 3.95Å; I552-L556 HydrophobicContact CG2-CG 4.48Å; I552-L556 WeakPolarHBondContact O-CB 3.44Å; I552-L556 WeakPolarHBondContact O-CG 3.16Å; I552-L556 PolarHBondContact O-N 2.91Å; I552-L593 HydrophobicContact CG2-CD2 3.92Å; I552-W655 HydrophobicContact CG2-CH2 3.87Å; I552-W655 HydrophobicContact CG2-CZ2 4.11Å; I552-F761 HydrophobicContact CD1-CD2 4.13Å; I552-F761 HydrophobicContact CD1-CE2 4.33Å; I552-F761 HydrophobicContact CG1-CD2 3.83Å; I552-F761 HydrophobicContact CG1-CE2 3.67Å; I552-D764 HydrophobicContact CD1-CB 3.55Å; I552-V765 HydrophobicContact CD1-CG2 3.77Å; I552-V765 HydrophobicContact CG1-CG2 4.04Å |
| 553 | Y | 97.3 | Very high | 95.4 | Very high | 38 Ų | 38 | 26.2 Ų | 26.2 | 15% | 0.149 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63 | -41.8 | 177.5 | 177.3 | -94.9 | 0 | 0 | 0 | 111.9 | L177 A539 E540 Q551 L556 T557 | L177-Y553 HydrophobicContact CD1-CD1 3.51Å; L177-Y553 HydrophobicContact CD1-CE1 3.54Å; L177-Y553 HydrophobicContact CD1-CG 4.15Å; L177-Y553 HydrophobicContact CD2-CE1 4.03Å; L177-Y553 HydrophobicContact CG-CD1 4.37Å; L177-Y553 HydrophobicContact CG-CE1 3.97Å; A539-Y553 HydrophobicContact CB-CD2 4.07Å; E540-Y553 HydrophobicContact CB-CD2 4.01Å; E540-Y553 HydrophobicContact CB-CE2 3.65Å; E540-Y553 HydrophobicContact CG-CD2 4.42Å; E540-Y553 HydrophobicContact CG-CE2 3.89Å; Q551-Y553 PolarHBondContact O-N 2.9Å; Y553-L556 PolarHBondContact O-N 3.12Å; Y553-T557 HydrophobicContact CD2-CG2 4.29Å; Y553-T557 HydrophobicContact CE1-CG2 4.06Å; Y553-T557 HydrophobicContact CE2-CG2 3.84Å; Y553-T557 WeakPolarHBondContact O-CB 3.43Å; Y553-T557 WeakPolarHBondContact O-CG2 3.48Å; Y553-T557 PolarHBondContact O-N 2.78Å; Y553-T557 PolarHBondContact O-OG1 3.2Å |
| 554 | H | 96.5 | Very high | 95 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 1% | 0.014 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -75.1 | -29.7 | 179.2 | -66.7 | -44.9 | 0 | 0 | 0 | 113.4 | G112 L114 L177 Q551 I552 T557 K558 G559 | G112-H554 PolarHBondContact O-CD2 3.44Å; L114-H554 HydrophobicContact CD1-CB 4.03Å; L114-H554 HydrophobicContact CD2-CB 4Å; L114-H554 HydrophobicContact CG-CB 3.78Å; L177-H554 PolarHBondContact O-NE2 3.37Å; Q551-H554 PolarHBondContact O-N 2.82Å; Q551-H554 VanDerWaalsContact O-N 3.15Å; I552-H554 PolarHBondContact O-N 2.9Å; H554-T557 PolarHBondContact CE1-OG1 3.44Å; H554-K558 WeakPolarHBondContact CE1-CD 3.42Å; H554-K558 WeakPolarHBondContact CE1-CE 3.33Å; H554-K558 PolarHBondContact CE1-NZ 3.45Å; H554-K558 VanDerWaalsContact CE1-NZ 3.29Å; H554-K558 PolarHBondContact NE2-NZ 3.32Å; H554-K558 CarbonylContact O-C 3.24Å; H554-K558 WeakPolarHBondContact O-CA 3.32Å; H554-K558 WeakPolarHBondContact O-CB 3.43Å; H554-K558 PolarHBondContact O-N 2.91Å; H554-G559 PolarHBondContact O-N 2.83Å |
| 555 | I | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.2 | -51.4 | 167.2 | -65 | 156.2 | 0 | 0 | 0 | 109.3 | Q551 I552 T557 G559 M561 Y590 L593 F594 V621 F761 | Q551-I555 HydrophobicContact CB-CD1 4.25Å; Q551-I555 WeakPolarHBondContact O-CD1 3.46Å; Q551-I555 VanDerWaalsContact O-CG1 3.32Å; Q551-I555 WeakPolarHBondContact O-CG1 3.47Å; Q551-I555 PolarHBondContact O-N 2.83Å; I552-I555 PolarHBondContact O-N 3.23Å; I555-T557 VanDerWaalsContact C-N 3.33Å; I555-T557 PolarHBondContact O-N 3.15Å; I555-G559 VanDerWaalsContact O-CA 3.28Å; I555-G559 WeakPolarHBondContact O-CA 3.37Å; I555-G559 PolarHBondContact O-N 3.1Å; I555-M561 HydrophobicContact CD1-CB 4.32Å; I555-M561 HydrophobicContact CD1-CG 4.4Å; I555-M561 HydrophobicContact CD1-SD 3.98Å; I555-M561 HydrophobicContact CG1-CB 4.15Å; I555-Y590 HydrophobicContact CD1-CE1 3.92Å; I555-Y590 HydrophobicContact CG1-CE1 4.37Å; I555-Y590 HydrophobicContact CG2-CD1 3.98Å; I555-Y590 HydrophobicContact CG2-CE1 4.23Å; I555-L593 HydrophobicContact CB-CD1 4.2Å; I555-L593 HydrophobicContact CD1-CD1 4.46Å; I555-L593 HydrophobicContact CG2-CD1 3.63Å; I555-F594 HydrophobicContact CG2-CE2 4.04Å; I555-F594 HydrophobicContact CG2-CZ 4.36Å; I555-F594 WeakPolarHBondContact O-CZ 3.33Å; I555-V621 HydrophobicContact CG2-CG2 4.27Å; I555-F761 HydrophobicContact CD1-CE2 3.65Å; I555-F761 HydrophobicContact CD1-CZ 3.87Å |
| 556 | L | 97.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 4% | 0.037 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.2 | -30.2 | -178.4 | -73.7 | 171 | 0 | 0 | 0 | 114.6 | V531 L536 A539 I552 Y553 L593 L651 W655 | V531-L556 HydrophobicContact CG1-CD2 4.19Å; V531-L556 HydrophobicContact CG2-CD2 3.86Å; L536-L556 HydrophobicContact CD2-CB 4.14Å; A539-L556 HydrophobicContact CB-CD1 3.94Å; I552-L556 HydrophobicContact CG2-CD1 3.95Å; I552-L556 HydrophobicContact CG2-CG 4.48Å; I552-L556 WeakPolarHBondContact O-CB 3.44Å; I552-L556 WeakPolarHBondContact O-CG 3.16Å; I552-L556 PolarHBondContact O-N 2.91Å; Y553-L556 PolarHBondContact O-N 3.12Å; L556-L593 HydrophobicContact CD1-CD2 4.29Å; L556-L593 HydrophobicContact CD2-CB 3.94Å; L556-L593 HydrophobicContact CD2-CD2 4.06Å; L556-L593 HydrophobicContact CD2-CG 4.47Å; L556-L593 HydrophobicContact CG-CD2 4.19Å; L556-L651 HydrophobicContact CD1-CD2 4.29Å; L556-L651 HydrophobicContact CD2-CD2 3.93Å; L556-W655 HydrophobicContact CD1-CH2 3.87Å; L556-W655 HydrophobicContact CD1-CZ3 4.41Å |
| 557 | T | 95.8 | Very high | 94.7 | Very high | 51 Ų | 51 | 24.1 Ų | 24.1 | 31% | 0.313 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -102.7 | -28.5 | -175.1 | 52.7 | 0 | 0 | 0 | 0 | 114.8 | L536 Y553 H554 I555 | L536-T557 HydrophobicContact CD2-CG2 3.94Å; Y553-T557 HydrophobicContact CD2-CG2 4.29Å; Y553-T557 HydrophobicContact CE1-CG2 4.06Å; Y553-T557 HydrophobicContact CE2-CG2 3.84Å; Y553-T557 WeakPolarHBondContact O-CB 3.43Å; Y553-T557 WeakPolarHBondContact O-CG2 3.48Å; Y553-T557 PolarHBondContact O-N 2.78Å; Y553-T557 PolarHBondContact O-OG1 3.2Å; H554-T557 PolarHBondContact CE1-OG1 3.44Å; I555-T557 VanDerWaalsContact C-N 3.33Å; I555-T557 PolarHBondContact O-N 3.15Å |
| 558 | K | 94.8 | Very high | 94.5 | Very high | 96 Ų | 96 | 23.7 Ų | 23.7 | 42% | 0.417 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -128.3 | -18.6 | -171.2 | -59 | 169.3 | -170.3 | 176.2 | 0 | 112.6 | L114 H554 E560 | L114-K558 HydrophobicContact CD1-CB 4.09Å; L114-K558 HydrophobicContact CD1-CD 3.66Å; L114-K558 HydrophobicContact CD1-CG 4.49Å; H554-K558 WeakPolarHBondContact CE1-CD 3.42Å; H554-K558 WeakPolarHBondContact CE1-CE 3.33Å; H554-K558 PolarHBondContact CE1-NZ 3.45Å; H554-K558 VanDerWaalsContact CE1-NZ 3.29Å; H554-K558 PolarHBondContact NE2-NZ 3.32Å; H554-K558 CarbonylContact O-C 3.24Å; H554-K558 WeakPolarHBondContact O-CA 3.32Å; H554-K558 WeakPolarHBondContact O-CB 3.43Å; H554-K558 PolarHBondContact O-N 2.91Å; K558-E560 HydrophobicContact CB-CG 4.44Å; K558-E560 WeakPolarHBondContact O-CG 3.48Å |
| 559 | G | 96.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | trans | 74.3 | 30.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | H554 I555 V621 K622 | H554-G559 PolarHBondContact O-N 2.83Å; I555-G559 VanDerWaalsContact O-CA 3.28Å; I555-G559 WeakPolarHBondContact O-CA 3.37Å; I555-G559 PolarHBondContact O-N 3.1Å; G559-V621 CarbonylContact O-C 3.6Å; G559-V621 VanDerWaalsContact O-CA 3.31Å; G559-V621 WeakPolarHBondContact O-CA 3.4Å; G559-V621 WeakPolarHBondContact O-CG1 3.49Å; G559-K622 PolarHBondContact O-N 3.06Å | ||
| 560 | E | 94.9 | Very high | 93.5 | Very high | 7 Ų | 7 | 27.7 Ų | 27.7 | 3% | 0.033 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 144 | -173.8 | -45.9 | -169.5 | 169.7 | 0 | 0 | 112.1 | L114 K116 W119 K558 K622 W624 | L114-E560 HydrophobicContact CD1-CB 3.86Å; L114-E560 HydrophobicContact CD1-CG 4.38Å; K116-E560 WeakPolarHBondContact CE-OE1 3.47Å; K116-E560 WeakPolarHBondContact CE-OE2 3.34Å; K116-E560 VanDerWaalsContact NZ-CD 3.33Å; K116-E560 IonicContact NZ-OE1 3.87Å; K116-E560 PolarHBondContact NZ-OE1 3.37Å; K116-E560 IonicContact NZ-OE2 2.72Å; K116-E560 PolarHBondContact NZ-OE2 3.32Å; W119-E560 VanDerWaalsContact CH2-OE2 3.3Å; W119-E560 WeakPolarHBondContact CH2-OE2 3.44Å; W119-E560 VanDerWaalsContact CZ2-OE2 3.27Å; W119-E560 WeakPolarHBondContact CZ2-OE2 3.31Å; K558-E560 HydrophobicContact CB-CG 4.44Å; K558-E560 WeakPolarHBondContact O-CG 3.48Å; E560-K622 WeakPolarHBondContact CA-O 3.44Å; E560-K622 HydrophobicContact CB-CB 4.35Å; E560-K622 HydrophobicContact CG-CB 4.1Å; E560-K622 HydrophobicContact CG-CD 4.18Å; E560-K622 HydrophobicContact CG-CG 4.5Å; E560-W624 PolarHBondContact OE2-NE1 3.45Å |
| 561 | M | 94.3 | Very high | 93 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.02 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 138.8 | 179.7 | -177 | 173.7 | 175.4 | 0 | 0 | 110.1 | Y549 Q551 I555 M563 Y590 K622 E623 W624 | Y549-M561 HydrophobicContact CE1-CE 4.12Å; Q551-M561 HydrophobicContact CB-CG 4.22Å; I555-M561 HydrophobicContact CD1-CB 4.32Å; I555-M561 HydrophobicContact CD1-CG 4.4Å; I555-M561 HydrophobicContact CD1-SD 3.98Å; I555-M561 HydrophobicContact CG1-CB 4.15Å; M561-M563 HydrophobicContact CE-SD 4.25Å; M561-Y590 HydrophobicContact SD-CE1 4.33Å; M561-Y590 PolarHBondContact SD-OH 3.32Å; M561-K622 PolarHBondContact N-O 3.39Å; M561-E623 WeakPolarHBondContact O-CA 3.49Å; M561-W624 PolarHBondContact O-N 3.3Å |
| 562 | K | 93.1 | Very high | 92.4 | Very high | 35 Ų | 35 | 31.5 Ų | 31.5 | 15% | 0.152 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 133 | 171.5 | -65.8 | 172.7 | -179.6 | 170 | 0 | 110.1 | T113 L114 W122 Q551 W624 | T113-K562 PolarHBondContact O-NZ 3.2Å; L114-K562 VanDerWaalsContact O-CE 3.22Å; L114-K562 WeakPolarHBondContact O-CE 3.45Å; L114-K562 PolarHBondContact O-NZ 3.08Å; W122-K562 HydrophobicContact CD2-CD 4.4Å; W122-K562 HydrophobicContact CZ2-CB 4.23Å; W122-K562 HydrophobicContact CZ2-CG 4.22Å; Q551-K562 PolarHBondContact NE2-O 2.89Å; Q551-K562 PolarHBondContact OE1-O 3.17Å; K562-W624 HydrophobicContact CG-CB 4.34Å |
| 563 | M | 92.2 | Very high | 91.5 | Very high | 23 Ų | 23 | 37.6 Ų | 37.6 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -88.9 | 135.4 | 173.1 | -61.2 | -53.4 | -59.8 | 0 | 0 | 110.5 | M561 W624 | M561-M563 HydrophobicContact CE-SD 4.25Å; M563-W624 PolarHBondContact N-O 2.88Å |
| 564 | P | 89.5 | Confident | 91 | Very high | 64 Ų | 64 | 40.2 Ų | 40.2 | 42% | 0.416 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -71.1 | 151.6 | 173.1 | 30.6 | -34.8 | 0 | 0 | 0 | 111.4 | ||
| 565 | V | 91.9 | Very high | 90.8 | Very high | 27 Ų | 27 | 41 Ų | 41 | 16% | 0.164 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -81.7 | 130.4 | 170 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | A126 Q129 R130 | A126-V565 HydrophobicContact CB-CG2 4.1Å; Q129-V565 HydrophobicContact CB-CB 4.04Å; Q129-V565 HydrophobicContact CB-CG1 4.04Å; Q129-V565 HydrophobicContact CB-CG2 4.12Å; R130-V565 HydrophobicContact CB-CG1 4.17Å |
| 566 | C | 92.1 | Very high | 90.5 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 10% | 0.101 | 24% | 0.235 | C | C | . | . | trans | -112.3 | 170.1 | -178.7 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | E568 | C566-E568 HydrophobicContact CB-CG 3.98Å; C566-E568 PolarHBondContact O-N 3.28Å; C566-E568 VanDerWaalsContact O-N 3.07Å | ||
| 567 | I | 94 | Very high | 90.2 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.036 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -79.1 | 86.5 | 173.1 | -42.5 | 165.2 | 0 | 0 | 0 | 108.5 | W78 V79 I136 V137 L153 V746 A750 | W78-I567 HydrophobicContact CE3-CD1 4.14Å; W78-I567 HydrophobicContact CZ3-CD1 3.6Å; W78-I567 HydrophobicContact CZ3-CG1 4.16Å; V79-I567 HydrophobicContact CG2-CD1 4.35Å; V79-I567 WeakPolarHBondContact O-CD1 3.22Å; I136-I567 HydrophobicContact CB-CG2 4.49Å; I136-I567 HydrophobicContact CG2-CG2 3.89Å; V137-I567 HydrophobicContact CG2-CG2 4.08Å; L153-I567 HydrophobicContact CD2-CG1 4.05Å; I567-V746 HydrophobicContact CD1-CG1 4.45Å; I567-V746 HydrophobicContact CG2-CG1 3.91Å; I567-A750 HydrophobicContact CB-CB 3.83Å; I567-A750 HydrophobicContact CD1-CB 4.33Å; I567-A750 HydrophobicContact CG1-CB 4.27Å |
| 568 | E | 89.7 | Confident | 90.2 | Very high | 51 Ų | 51 | 42 Ų | 42 | 24% | 0.238 | 24% | 0.238 | C | C | . | . | trans | -121.4 | 142.2 | -177.5 | -64 | 178.7 | -176.5 | 0 | 0 | 110.3 | C566 P577 A578 | C566-E568 HydrophobicContact CB-CG 3.98Å; C566-E568 PolarHBondContact O-N 3.28Å; C566-E568 VanDerWaalsContact O-N 3.07Å; E568-P577 WeakPolarHBondContact OE2-CA 3.36Å; E568-P577 WeakPolarHBondContact OE2-CB 3.36Å; E568-A578 WeakPolarHBondContact OE1-CB 3.23Å; E568-A578 PolarHBondContact OE1-N 3.25Å | ||
| 569 | D | 86.9 | Confident | 90.1 | Very high | 38 Ų | 38 | 38.8 Ų | 38.8 | 20% | 0.203 | 23% | 0.228 | C | C | . | . | trans | -93.4 | 105.8 | 171.7 | -175.8 | 9.9 | 0 | 0 | 0 | 110.1 | Q134 V137 C571 N572 | Q134-D569 PolarHBondContact NE2-OD1 3.34Å; V137-D569 HydrophobicContact CG1-CB 3.65Å; V137-D569 HydrophobicContact CG2-CB 4.27Å; D569-C571 PolarHBondContact O-N 2.81Å; D569-C571 WeakPolarHBondContact OD1-CB 3.37Å; D569-C571 PolarHBondContact OD1-N 3.05Å; D569-C571 VanDerWaalsContact OD1-N 3.08Å; D569-N572 HydrophobicContact CB-CB 3.82Å; D569-N572 WeakPolarHBondContact O-CB 3.4Å; D569-N572 PolarHBondContact O-N 2.92Å | ||
| 570 | E | 82.6 | Confident | 89.9 | Confident | 57 Ų | 57 | 42.1 Ų | 42.1 | 27% | 0.266 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 3 | 179.9 | -54.1 | -170.4 | 123.1 | 0 | 0 | 113.8 | R130 K628 | R130-E570 IonicContact CZ-OE1 3.18Å; R130-E570 IonicContact CZ-OE2 2.69Å; R130-E570 IonicContact NE-OE1 2.73Å; R130-E570 PolarHBondContact NE-OE1 3.36Å; R130-E570 IonicContact NE-OE2 3.32Å; R130-E570 PolarHBondContact NE-OE2 3.17Å; R130-E570 IonicContact NH2-OE1 2.7Å; R130-E570 IonicContact NH2-OE2 3.29Å; R130-E570 PolarHBondContact NH2-OE2 3.26Å; E570-K628 HydrophobicContact CB-CB 4.48Å; E570-K628 HydrophobicContact CB-CD 3.6Å; E570-K628 HydrophobicContact CG-CD 4.5Å; E570-K628 PolarHBondContact O-NZ 3.39Å; E570-K628 WeakPolarHBondContact OE1-CB 3.28Å; E570-K628 PolarHBondContact OE1-N 2.96Å |
| 571 | C | 81.6 | Confident | 89.9 | Confident | 94 Ų | 94 | 41.8 Ų | 41.8 | 64% | 0.635 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | -8.1 | 170.2 | -66.5 | 0 | 0 | 0 | 0 | 112.9 | D569 K628 | D569-C571 PolarHBondContact O-N 2.81Å; D569-C571 WeakPolarHBondContact OD1-CB 3.37Å; D569-C571 PolarHBondContact OD1-N 3.05Å; D569-C571 VanDerWaalsContact OD1-N 3.08Å; C571-K628 PolarHBondContact SG-NZ 3.46Å |
| 572 | N | 82.3 | Confident | 90.1 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 23% | 0.225 | 24% | 0.243 | C | C | . | . | trans | -84.3 | 125.6 | 177.5 | -174 | 2.8 | 0 | 0 | 0 | 110.8 | D569 E574 Q747 | D569-N572 HydrophobicContact CB-CB 3.82Å; D569-N572 WeakPolarHBondContact O-CB 3.4Å; D569-N572 PolarHBondContact O-N 2.92Å; N572-E574 VanDerWaalsContact OD1-CB 3.27Å; N572-E574 WeakPolarHBondContact OD1-CB 3.4Å; N572-E574 PolarHBondContact OD1-N 3.43Å; N572-Q747 PolarHBondContact ND2-OE1 3.12Å | ||
| 573 | S | 80.6 | Confident | 90.3 | Very high | 128 Ų | 128 | 42.3 Ų | 42.3 | 90% | 0.895 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -97.1 | -5.4 | 176 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 574 | E | 86.2 | Confident | 90.5 | Very high | 92 Ų | 92 | 42 Ų | 42 | 43% | 0.43 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -79.9 | -32.9 | 178.7 | -168.5 | -176 | -156.1 | 0 | 0 | 112.4 | N572 R744 | N572-E574 VanDerWaalsContact OD1-CB 3.27Å; N572-E574 WeakPolarHBondContact OD1-CB 3.4Å; N572-E574 PolarHBondContact OD1-N 3.43Å; E574-R744 IonicContact OE1-CZ 3.65Å; E574-R744 IonicContact OE1-NH1 3.63Å; E574-R744 PolarHBondContact OE1-NH1 2.78Å; E574-R744 IonicContact OE2-CZ 2.65Å; E574-R744 IonicContact OE2-NH1 2.69Å; E574-R744 PolarHBondContact OE2-NH1 3.47Å |
| 575 | L | 92.2 | Very high | 90.9 | Very high | 19 Ų | 19 | 39 Ų | 39 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -112.9 | 126.5 | -175 | -63 | -179.2 | 0 | 0 | 0 | 111.1 | I709 Q747 L748 L751 | L575-I709 HydrophobicContact CD2-CG2 3.97Å; L575-Q747 HydrophobicContact CD1-CB 3.65Å; L575-L748 HydrophobicContact CD1-CD2 4.26Å; L575-L748 HydrophobicContact CD2-CD2 3.92Å; L575-L751 HydrophobicContact CD2-CD2 4.42Å |
| 576 | P | 92.3 | Very high | 91.2 | Very high | 17 Ų | 17 | 37.8 Ų | 37.8 | 11% | 0.11 | 22% | 0.218 | C | C | . | . | trans | -74.3 | 149.2 | 173.9 | 32.6 | -36.2 | 0 | 0 | 0 | 111.1 | L580 L581 W704 I709 | P576-L580 HydrophobicContact CB-CD2 4.47Å; P576-L581 HydrophobicContact CG-CB 4.08Å; P576-L581 HydrophobicContact CG-CD1 4.43Å; P576-L581 HydrophobicContact CG-CD2 4.45Å; P576-W704 HydrophobicContact CB-CH2 4.46Å; P576-W704 HydrophobicContact CB-CZ2 3.75Å; P576-W704 HydrophobicContact CG-CD2 4.18Å; P576-W704 HydrophobicContact CG-CG 4.46Å; P576-W704 HydrophobicContact CG-CZ2 4.06Å; P576-I709 HydrophobicContact CG-CD1 3.79Å; P576-I709 HydrophobicContact CG-CG1 4.35Å | ||
| 577 | P | 91.8 | Very high | 91.5 | Very high | 57 Ų | 57 | 38.5 Ų | 38.5 | 37% | 0.37 | 22% | 0.22 | S | C | . | . | trans | -54.7 | 141.4 | 167.9 | -26.9 | 35.8 | 0 | 0 | 0 | 111.8 | E568 S579 L580 L581 | E568-P577 WeakPolarHBondContact OE2-CA 3.36Å; E568-P577 WeakPolarHBondContact OE2-CB 3.36Å; P577-S579 PolarHBondContact O-N 2.65Å; P577-L580 HydrophobicContact CB-CB 4.47Å; P577-L580 WeakPolarHBondContact O-CB 3.5Å; P577-L580 PolarHBondContact O-N 3.13Å; P577-L581 PolarHBondContact O-N 2.58Å | ||
| 578 | A | 94.2 | Very high | 91.7 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 5% | 0.05 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.7 | -33.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E568 L580 L581 F582 L751 A754 | E568-A578 WeakPolarHBondContact OE1-CB 3.23Å; E568-A578 PolarHBondContact OE1-N 3.25Å; A578-L580 VanDerWaalsContact C-N 3.3Å; A578-L580 PolarHBondContact O-N 3.36Å; A578-L581 PolarHBondContact O-N 3.18Å; A578-F582 HydrophobicContact CB-CD2 4.2Å; A578-F582 HydrophobicContact CB-CE2 4.44Å; A578-F582 WeakPolarHBondContact O-CD2 3.38Å; A578-F582 PolarHBondContact O-N 2.87Å; A578-F582 VanDerWaalsContact O-N 3.08Å; A578-L751 HydrophobicContact CB-CD1 3.71Å; A578-A754 HydrophobicContact CB-CB 3.55Å |
| 579 | S | 92.8 | Very high | 92.2 | Very high | 29 Ų | 29 | 37.2 Ų | 37.2 | 20% | 0.203 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.2 | -41.8 | 172.7 | 58.9 | 0 | 0 | 0 | 0 | 112.1 | P577 R583 R586 | P577-S579 PolarHBondContact O-N 2.65Å; S579-R583 WeakPolarHBondContact O-CB 3.48Å; S579-R586 PolarHBondContact O-NH1 3.08Å; S579-R586 PolarHBondContact O-NH2 2.99Å |
| 580 | L | 92.9 | Very high | 92.7 | Very high | 72 Ų | 72 | 35.4 Ų | 35.4 | 38% | 0.377 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -76 | -49.6 | 177.4 | 177.6 | 62.4 | 0 | 0 | 0 | 111.8 | P576 P577 A578 F582 R583 W704 | P576-L580 HydrophobicContact CB-CD2 4.47Å; P577-L580 HydrophobicContact CB-CB 4.47Å; P577-L580 WeakPolarHBondContact O-CB 3.5Å; P577-L580 PolarHBondContact O-N 3.13Å; A578-L580 VanDerWaalsContact C-N 3.3Å; A578-L580 PolarHBondContact O-N 3.36Å; L580-F582 PolarHBondContact O-N 2.53Å; L580-R583 WeakPolarHBondContact O-CB 3.46Å; L580-R583 PolarHBondContact O-N 2.94Å; L580-W704 HydrophobicContact CD2-CH2 4.34Å; L580-W704 HydrophobicContact CD2-CZ2 4.44Å; L580-W704 HydrophobicContact CG-CH2 4.01Å |
| 581 | L | 95.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -53.5 | -53.9 | -177.5 | 173.8 | 55 | 0 | 0 | 0 | 111.7 | P576 P577 A578 R583 Y700 M701 W704 I709 L751 | P576-L581 HydrophobicContact CG-CB 4.08Å; P576-L581 HydrophobicContact CG-CD1 4.43Å; P576-L581 HydrophobicContact CG-CD2 4.45Å; P577-L581 PolarHBondContact O-N 2.58Å; A578-L581 PolarHBondContact O-N 3.18Å; L581-R583 VanDerWaalsContact C-N 3.31Å; L581-R583 PolarHBondContact O-N 2.93Å; L581-Y700 HydrophobicContact CD1-CD1 4.34Å; L581-Y700 HydrophobicContact CD1-CE1 3.92Å; L581-Y700 HydrophobicContact CG-CE1 4.14Å; L581-Y700 VanDerWaalsContact O-CE1 3.26Å; L581-Y700 WeakPolarHBondContact O-CE1 3.37Å; L581-Y700 PolarHBondContact O-OH 2.95Å; L581-M701 HydrophobicContact CD2-CG 4.37Å; L581-W704 HydrophobicContact CD1-CB 4.22Å; L581-W704 HydrophobicContact CD1-CD2 3.78Å; L581-W704 HydrophobicContact CD1-CE3 3.34Å; L581-W704 HydrophobicContact CD1-CG 4.16Å; L581-W704 HydrophobicContact CD1-CZ3 4.01Å; L581-I709 HydrophobicContact CD1-CD1 3.59Å; L581-I709 HydrophobicContact CD2-CD1 3.58Å; L581-I709 HydrophobicContact CG-CD1 4.22Å; L581-L751 HydrophobicContact CD2-CD1 3.64Å; L581-L751 HydrophobicContact CD2-CD2 3.99Å; L581-L751 HydrophobicContact CD2-CG 3.81Å |
| 582 | F | 97.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 2.8 | -173.6 | -64.6 | -67 | 0 | 0 | 0 | 113.8 | A578 L580 A584 A585 R586 Y700 M701 L751 A754 G755 T758 | A578-F582 HydrophobicContact CB-CD2 4.2Å; A578-F582 HydrophobicContact CB-CE2 4.44Å; A578-F582 WeakPolarHBondContact O-CD2 3.38Å; A578-F582 PolarHBondContact O-N 2.87Å; A578-F582 VanDerWaalsContact O-N 3.08Å; L580-F582 PolarHBondContact O-N 2.53Å; F582-A584 PolarHBondContact O-N 3.31Å; F582-A585 PolarHBondContact O-N 3.21Å; F582-R586 PolarHBondContact O-N 3.27Å; F582-Y700 AromaticContact CD1-CD1 3.62Å; F582-Y700 HydrophobicContact CD1-CD1 3.62Å; F582-Y700 AromaticContact CD1-CE1 3.49Å; F582-Y700 HydrophobicContact CD1-CE1 3.49Å; F582-Y700 VanDerWaalsContact CD1-CE1 3.49Å; F582-Y700 AromaticContact CE1-CD1 3.48Å; F582-Y700 HydrophobicContact CE1-CD1 3.48Å; F582-Y700 VanDerWaalsContact CE1-CD1 3.48Å; F582-Y700 AromaticContact CE1-CE1 3.83Å; F582-Y700 HydrophobicContact CE1-CE1 3.83Å; F582-Y700 HydrophobicContact CE1-CG 4.38Å; F582-Y700 HydrophobicContact CG-CE1 4.36Å; F582-M701 HydrophobicContact CZ-CG 4.2Å; F582-L751 HydrophobicContact CE2-CD1 4.23Å; F582-L751 WeakPolarHBondContact CE2-O 3.47Å; F582-A754 HydrophobicContact CE2-CB 4.39Å; F582-G755 VanDerWaalsContact CE1-CA 3.47Å; F582-T758 HydrophobicContact CB-CG2 4.05Å |
| 583 | R | 97 | Very high | 95 | Very high | 47 Ų | 47 | 26.7 Ų | 26.7 | 18% | 0.177 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.6 | -45.9 | -178.4 | -167.5 | 178.1 | -68.2 | 136.7 | 1 | 112.5 | S579 L580 L581 A585 R586 Q587 E623 E636 V638 | S579-R583 WeakPolarHBondContact O-CB 3.48Å; L580-R583 WeakPolarHBondContact O-CB 3.46Å; L580-R583 PolarHBondContact O-N 2.94Å; L581-R583 VanDerWaalsContact C-N 3.31Å; L581-R583 PolarHBondContact O-N 2.93Å; R583-A585 VanDerWaalsContact C-N 3.28Å; R583-A585 PolarHBondContact O-N 2.88Å; R583-R586 CarbonylContact O-C 3.59Å; R583-R586 PolarHBondContact O-N 2.88Å; R583-Q587 HydrophobicContact CG-CG 4.29Å; R583-Q587 WeakPolarHBondContact O-CG 3.09Å; R583-Q587 PolarHBondContact O-N 2.83Å; R583-E623 IonicContact NE-OE2 2.7Å; R583-E636 IonicContact CZ-OE1 2.77Å; R583-E636 IonicContact CZ-OE2 3.63Å; R583-E636 IonicContact NE-OE2 3.49Å; R583-E636 IonicContact NH2-OE1 3.2Å; R583-E636 PolarHBondContact NH2-OE1 2.93Å; R583-E636 IonicContact NH2-OE2 3.87Å; R583-E636 PolarHBondContact NH2-OE2 2.79Å; R583-V638 HydrophobicContact CG-CG1 3.91Å; R583-V638 HydrophobicContact CG-CG2 4.37Å |
| 584 | A | 97.3 | Very high | 95.7 | Very high | 17 Ų | 17 | 20.9 Ų | 20.9 | 14% | 0.14 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.7 | -38 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F582 Q587 Y588 | F582-A584 PolarHBondContact O-N 3.31Å; A584-Q587 PolarHBondContact O-N 3.47Å; A584-Y588 WeakPolarHBondContact O-CD2 3.17Å; A584-Y588 PolarHBondContact O-N 3.3Å; A584-Y588 VanDerWaalsContact O-N 3.16Å |
| 585 | A | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F582 R583 Y588 A589 C673 L674 Y700 T758 I762 | F582-A585 PolarHBondContact O-N 3.21Å; R583-A585 VanDerWaalsContact C-N 3.28Å; R583-A585 PolarHBondContact O-N 2.88Å; A585-Y588 PolarHBondContact O-N 2.89Å; A585-A589 PolarHBondContact O-N 3.46Å; A585-C673 WeakPolarHBondContact CA-O 3.44Å; A585-C673 WeakPolarHBondContact CB-O 3.37Å; A585-L674 HydrophobicContact CB-CD2 4.38Å; A585-Y700 HydrophobicContact CB-CE2 3.82Å; A585-Y700 PolarHBondContact N-OH 3.17Å; A585-T758 HydrophobicContact CB-CG2 4.23Å; A585-I762 HydrophobicContact CB-CD1 3.74Å |
| 586 | R | 98.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.1 | -38.1 | 173.4 | -63 | -168.4 | -56 | -83 | -0.2 | 112.7 | S579 F582 R583 Y588 A589 Y590 E623 T758 F761 | S579-R586 PolarHBondContact O-NH1 3.08Å; S579-R586 PolarHBondContact O-NH2 2.99Å; F582-R586 PolarHBondContact O-N 3.27Å; R583-R586 CarbonylContact O-C 3.59Å; R583-R586 PolarHBondContact O-N 2.88Å; R586-Y588 VanDerWaalsContact C-N 3.35Å; R586-Y588 PolarHBondContact O-N 3.43Å; R586-A589 CarbonylContact O-C 3.57Å; R586-A589 WeakPolarHBondContact O-CA 3.31Å; R586-A589 WeakPolarHBondContact O-CB 3.4Å; R586-A589 PolarHBondContact O-N 3.41Å; R586-A589 VanDerWaalsContact O-N 3.08Å; R586-Y590 HydrophobicContact CB-CE1 4.47Å; R586-Y590 HydrophobicContact CB-CE2 4.09Å; R586-Y590 WeakPolarHBondContact O-CD1 3.5Å; R586-Y590 VanDerWaalsContact O-CD2 3.31Å; R586-Y590 WeakPolarHBondContact O-CD2 3.49Å; R586-Y590 PolarHBondContact O-N 3.48Å; R586-E623 IonicContact CZ-OE1 2.72Å; R586-E623 VanDerWaalsContact CZ-OE1 3.32Å; R586-E623 IonicContact CZ-OE2 2.79Å; R586-E623 IonicContact NE-OE1 2.96Å; R586-E623 PolarHBondContact NE-OE1 3.49Å; R586-E623 IonicContact NE-OE2 3.27Å; R586-E623 IonicContact NH2-OE1 3.76Å; R586-E623 PolarHBondContact NH2-OE1 3.48Å; R586-E623 IonicContact NH2-OE2 3.6Å; R586-E623 PolarHBondContact NH2-OE2 3.48Å; R586-T758 HydrophobicContact CG-CG2 4.1Å; R586-F761 HydrophobicContact CB-CE1 4.33Å; R586-F761 HydrophobicContact CG-CD1 4.31Å; R586-F761 HydrophobicContact CG-CE1 4.04Å |
| 587 | Q | 98.4 | Very high | 96.3 | Very high | 30 Ų | 30 | 17 Ų | 17 | 14% | 0.14 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.1 | -42.6 | 175.2 | -71 | -178.5 | -89.1 | 0 | 0 | 112.7 | R583 A584 Y590 G591 V638 P639 A640 L641 | R583-Q587 HydrophobicContact CG-CG 4.29Å; R583-Q587 WeakPolarHBondContact O-CG 3.09Å; R583-Q587 PolarHBondContact O-N 2.83Å; A584-Q587 PolarHBondContact O-N 3.47Å; Q587-Y590 PolarHBondContact O-N 3.2Å; Q587-G591 PolarHBondContact O-N 2.83Å; Q587-G591 VanDerWaalsContact O-N 3.08Å; Q587-V638 HydrophobicContact CG-CG1 3.43Å; Q587-V638 VanDerWaalsContact CG-CG1 3.43Å; Q587-P639 VanDerWaalsContact CG-O 3.28Å; Q587-P639 WeakPolarHBondContact CG-O 3.43Å; Q587-P639 PolarHBondContact NE2-O 2.85Å; Q587-A640 WeakPolarHBondContact O-CA 3.17Å; Q587-L641 HydrophobicContact CB-CB 4.28Å; Q587-L641 HydrophobicContact CB-CD1 3.83Å; Q587-L641 HydrophobicContact CB-CG 3.93Å; Q587-L641 HydrophobicContact CG-CD1 4.45Å; Q587-L641 PolarHBondContact O-N 3.08Å |
| 588 | Y | 98.3 | Very high | 96.2 | Very high | 32 Ų | 32 | 18.7 Ų | 18.7 | 13% | 0.125 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67 | -39.4 | 172.4 | -66 | -59.9 | 0 | 0 | 0 | 111.9 | A584 A585 R586 Y590 G591 V592 L641 C642 F643 | A584-Y588 WeakPolarHBondContact O-CD2 3.17Å; A584-Y588 PolarHBondContact O-N 3.3Å; A584-Y588 VanDerWaalsContact O-N 3.16Å; A585-Y588 PolarHBondContact O-N 2.89Å; R586-Y588 VanDerWaalsContact C-N 3.35Å; R586-Y588 PolarHBondContact O-N 3.43Å; Y588-Y590 VanDerWaalsContact C-N 3.33Å; Y588-Y590 PolarHBondContact O-N 3.08Å; Y588-G591 CarbonylContact O-C 3.32Å; Y588-G591 WeakPolarHBondContact O-CA 3.41Å; Y588-G591 PolarHBondContact O-N 3.14Å; Y588-V592 WeakPolarHBondContact O-CG2 3.45Å; Y588-V592 PolarHBondContact O-N 3.4Å; Y588-L641 HydrophobicContact CD1-CB 3.83Å; Y588-L641 HydrophobicContact CE1-CB 3.85Å; Y588-L641 HydrophobicContact CE1-CD1 4.45Å; Y588-C642 WeakPolarHBondContact CE1-O 3.33Å; Y588-F643 AromaticContact CD1-CD1 3.74Å; Y588-F643 HydrophobicContact CD1-CD1 3.74Å; Y588-F643 HydrophobicContact CD1-CE1 4.01Å; Y588-F643 HydrophobicContact CE1-CD1 4.27Å; Y588-F643 HydrophobicContact CG-CD1 4.09Å; Y588-F643 AromaticContact CG-CE1 3.93Å; Y588-F643 HydrophobicContact CG-CE1 3.93Å |
| 589 | A | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.6 | -40.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A585 R586 G591 V592 L593 F761 I762 V765 | A585-A589 PolarHBondContact O-N 3.46Å; R586-A589 CarbonylContact O-C 3.57Å; R586-A589 WeakPolarHBondContact O-CA 3.31Å; R586-A589 WeakPolarHBondContact O-CB 3.4Å; R586-A589 PolarHBondContact O-N 3.41Å; R586-A589 VanDerWaalsContact O-N 3.08Å; A589-G591 VanDerWaalsContact C-N 3.32Å; A589-G591 PolarHBondContact O-N 3.24Å; A589-V592 PolarHBondContact O-N 2.84Å; A589-L593 WeakPolarHBondContact O-CG 3.49Å; A589-L593 PolarHBondContact O-N 3.33Å; A589-F761 HydrophobicContact CB-CD1 4.4Å; A589-F761 HydrophobicContact CB-CE1 3.57Å; A589-F761 HydrophobicContact CB-CZ 3.97Å; A589-I762 HydrophobicContact CB-CG1 4.15Å; A589-V765 HydrophobicContact CB-CB 4.48Å; A589-V765 HydrophobicContact CB-CG1 4.08Å; A589-V765 HydrophobicContact CB-CG2 4.29Å; A589-V765 WeakPolarHBondContact O-CG1 3.41Å |
| 590 | Y | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.3 | -38.5 | 171.5 | -54.3 | -30.6 | 0 | 0 | 0 | 111.5 | I555 M561 R586 Q587 Y588 V592 L593 F594 V621 E623 V638 F761 | I555-Y590 HydrophobicContact CD1-CE1 3.92Å; I555-Y590 HydrophobicContact CG1-CE1 4.37Å; I555-Y590 HydrophobicContact CG2-CD1 3.98Å; I555-Y590 HydrophobicContact CG2-CE1 4.23Å; M561-Y590 HydrophobicContact SD-CE1 4.33Å; M561-Y590 PolarHBondContact SD-OH 3.32Å; R586-Y590 HydrophobicContact CB-CE1 4.47Å; R586-Y590 HydrophobicContact CB-CE2 4.09Å; R586-Y590 WeakPolarHBondContact O-CD1 3.5Å; R586-Y590 VanDerWaalsContact O-CD2 3.31Å; R586-Y590 WeakPolarHBondContact O-CD2 3.49Å; R586-Y590 PolarHBondContact O-N 3.48Å; Q587-Y590 PolarHBondContact O-N 3.2Å; Y588-Y590 VanDerWaalsContact C-N 3.33Å; Y588-Y590 PolarHBondContact O-N 3.08Å; Y590-V592 VanDerWaalsContact C-N 3.33Å; Y590-V592 PolarHBondContact O-N 3.32Å; Y590-L593 PolarHBondContact O-N 3.12Å; Y590-F594 WeakPolarHBondContact O-CD2 3.49Å; Y590-F594 PolarHBondContact O-N 3.42Å; Y590-V621 HydrophobicContact CD1-CG2 4.04Å; Y590-V621 HydrophobicContact CD2-CB 3.82Å; Y590-V621 HydrophobicContact CD2-CG1 4.31Å; Y590-V621 HydrophobicContact CD2-CG2 3.72Å; Y590-V621 HydrophobicContact CE1-CG1 4.07Å; Y590-V621 HydrophobicContact CE1-CG2 4.4Å; Y590-V621 HydrophobicContact CE2-CB 3.75Å; Y590-V621 HydrophobicContact CE2-CG1 3.84Å; Y590-V621 HydrophobicContact CE2-CG2 4.12Å; Y590-V621 HydrophobicContact CG-CB 4.27Å; Y590-V621 HydrophobicContact CG-CG2 3.7Å; Y590-E623 PolarHBondContact OH-OE1 3.23Å; Y590-E623 VanDerWaalsContact OH-OE1 3.1Å; Y590-V638 HydrophobicContact CD2-CG1 4.36Å; Y590-V638 HydrophobicContact CE2-CG1 3.98Å; Y590-F761 HydrophobicContact CD1-CZ 4.27Å; Y590-F761 HydrophobicContact CE1-CE1 4.34Å; Y590-F761 AromaticContact CE1-CZ 3.85Å; Y590-F761 HydrophobicContact CE1-CZ 3.85Å |
| 591 | G | 97.4 | Very high | 95.7 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 6% | 0.062 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62 | -37.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q587 Y588 A589 S595 L596 | Q587-G591 PolarHBondContact O-N 2.83Å; Q587-G591 VanDerWaalsContact O-N 3.08Å; Y588-G591 CarbonylContact O-C 3.32Å; Y588-G591 WeakPolarHBondContact O-CA 3.41Å; Y588-G591 PolarHBondContact O-N 3.14Å; A589-G591 VanDerWaalsContact C-N 3.32Å; A589-G591 PolarHBondContact O-N 3.24Å; G591-S595 PolarHBondContact O-N 2.73Å; G591-L596 WeakPolarHBondContact O-CB 3.39Å; G591-L596 PolarHBondContact O-N 3.1Å |
| 592 | V | 97.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.7 | -49.3 | 171.9 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | Y588 A589 Y590 F594 S595 F643 L651 L654 V765 | Y588-V592 WeakPolarHBondContact O-CG2 3.45Å; Y588-V592 PolarHBondContact O-N 3.4Å; A589-V592 PolarHBondContact O-N 2.84Å; Y590-V592 VanDerWaalsContact C-N 3.33Å; Y590-V592 PolarHBondContact O-N 3.32Å; V592-F594 PolarHBondContact O-N 2.94Å; V592-S595 PolarHBondContact O-N 2.78Å; V592-F643 HydrophobicContact CG2-CE2 3.96Å; V592-F643 HydrophobicContact CG2-CZ 3.84Å; V592-L651 HydrophobicContact CG1-CD1 4.29Å; V592-L654 HydrophobicContact CG1-CD2 3.45Å; V592-L654 VanDerWaalsContact CG1-CD2 3.45Å; V592-V765 HydrophobicContact CB-CG1 3.84Å; V592-V765 HydrophobicContact CG1-CG1 3.72Å |
| 593 | L | 98.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57 | -47.7 | -178.6 | -77.5 | 177.2 | 0 | 0 | 0 | 112.3 | I552 I555 L556 A589 Y590 S595 L651 W655 V765 | I552-L593 HydrophobicContact CG2-CD2 3.92Å; I555-L593 HydrophobicContact CB-CD1 4.2Å; I555-L593 HydrophobicContact CD1-CD1 4.46Å; I555-L593 HydrophobicContact CG2-CD1 3.63Å; L556-L593 HydrophobicContact CD1-CD2 4.29Å; L556-L593 HydrophobicContact CD2-CB 3.94Å; L556-L593 HydrophobicContact CD2-CD2 4.06Å; L556-L593 HydrophobicContact CD2-CG 4.47Å; L556-L593 HydrophobicContact CG-CD2 4.19Å; A589-L593 WeakPolarHBondContact O-CG 3.49Å; A589-L593 PolarHBondContact O-N 3.33Å; Y590-L593 PolarHBondContact O-N 3.12Å; L593-S595 VanDerWaalsContact C-N 3.25Å; L593-S595 PolarHBondContact O-N 2.76Å; L593-L651 HydrophobicContact CD2-CD1 4.24Å; L593-L651 HydrophobicContact CD2-CD2 3.98Å; L593-L651 VanDerWaalsContact O-CD2 3.3Å; L593-L651 WeakPolarHBondContact O-CD2 3.35Å; L593-W655 HydrophobicContact CD2-CZ2 4.06Å; L593-V765 HydrophobicContact CD1-CG2 3.99Å; L593-V765 HydrophobicContact CD2-CB 4.43Å; L593-V765 HydrophobicContact CD2-CG1 4.11Å; L593-V765 HydrophobicContact CD2-CG2 3.99Å; L593-V765 HydrophobicContact CG-CB 4.49Å; L593-V765 HydrophobicContact CG-CG1 3.89Å; L593-V765 HydrophobicContact CG-CG2 3.93Å |
| 594 | F | 97.1 | Very high | 94.9 | Very high | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 11.3 | 179.1 | -65.9 | -70.9 | 0 | 0 | 0 | 114 | L528 P529 V531 I555 Y590 V592 L596 V619 V621 | L528-F594 HydrophobicContact CB-CE1 4.09Å; L528-F594 HydrophobicContact CD1-CE1 4.39Å; L528-F594 HydrophobicContact CD1-CZ 4.26Å; L528-F594 HydrophobicContact CD2-CE1 4.22Å; L528-F594 HydrophobicContact CD2-CZ 3.88Å; L528-F594 HydrophobicContact CG-CE1 4.46Å; L528-F594 HydrophobicContact CG-CZ 4.46Å; P529-F594 HydrophobicContact CB-CD1 4.38Å; P529-F594 HydrophobicContact CG-CB 4.2Å; P529-F594 HydrophobicContact CG-CD1 4.26Å; P529-F594 HydrophobicContact CG-CG 4.47Å; V531-F594 HydrophobicContact CG2-CD1 4.27Å; V531-F594 HydrophobicContact CG2-CE1 4.29Å; I555-F594 HydrophobicContact CG2-CE2 4.04Å; I555-F594 HydrophobicContact CG2-CZ 4.36Å; I555-F594 WeakPolarHBondContact O-CZ 3.33Å; Y590-F594 WeakPolarHBondContact O-CD2 3.49Å; Y590-F594 PolarHBondContact O-N 3.42Å; V592-F594 PolarHBondContact O-N 2.94Å; F594-L596 PolarHBondContact O-N 2.81Å; F594-L596 VanDerWaalsContact O-N 3.13Å; F594-V619 HydrophobicContact CB-CG1 4.18Å; F594-V619 HydrophobicContact CD1-CG1 4.37Å; F594-V619 HydrophobicContact CD2-CG1 3.49Å; F594-V619 VanDerWaalsContact CD2-CG1 3.49Å; F594-V619 HydrophobicContact CE2-CG1 3.88Å; F594-V619 HydrophobicContact CG-CG1 3.76Å; F594-V619 HydrophobicContact CZ-CG1 4.46Å; F594-V621 HydrophobicContact CE2-CG2 4.09Å |
| 595 | S | 95.6 | Very high | 94.6 | Very high | 24 Ų | 24 | 42.8 Ų | 42.8 | 17% | 0.168 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 34 | 177 | -54.4 | 0 | 0 | 0 | 0 | 113.7 | G591 V592 L593 A597 E598 T599 L651 | G591-S595 PolarHBondContact O-N 2.73Å; V592-S595 PolarHBondContact O-N 2.78Å; L593-S595 VanDerWaalsContact C-N 3.25Å; L593-S595 PolarHBondContact O-N 2.76Å; S595-A597 VanDerWaalsContact C-N 3.26Å; S595-A597 PolarHBondContact O-N 3.05Å; S595-A597 VanDerWaalsContact O-N 3.13Å; S595-E598 PolarHBondContact O-N 2.62Å; S595-T599 PolarHBondContact O-N 2.87Å; S595-L651 PolarHBondContact OG-N 3.38Å |
| 596 | L | 94.3 | Very high | 94.3 | Very high | 8 Ų | 8 | 46.1 Ų | 46.1 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58 | -36.8 | -163.7 | -171.8 | 62 | 0 | 0 | 0 | 112.5 | G591 F594 E598 T599 H600 V619 A640 C642 | G591-L596 WeakPolarHBondContact O-CB 3.39Å; G591-L596 PolarHBondContact O-N 3.1Å; F594-L596 PolarHBondContact O-N 2.81Å; F594-L596 VanDerWaalsContact O-N 3.13Å; L596-E598 VanDerWaalsContact C-N 3.32Å; L596-E598 PolarHBondContact O-N 3.38Å; L596-T599 WeakPolarHBondContact O-CB 3.43Å; L596-T599 PolarHBondContact O-N 3Å; L596-T599 VanDerWaalsContact O-N 3.14Å; L596-H600 PolarHBondContact O-CD2 3.4Å; L596-H600 PolarHBondContact O-N 3.46Å; L596-V619 HydrophobicContact CD1-CG2 3.86Å; L596-A640 HydrophobicContact CD2-CB 4.05Å; L596-C642 VanDerWaalsContact CG-SG 3.58Å |
| 597 | A | 92.8 | Very high | 94.1 | Very high | 15 Ų | 15 | 46.5 Ų | 46.5 | 12% | 0.124 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64 | -30.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S595 R601 C642 T647 C648 | S595-A597 VanDerWaalsContact C-N 3.26Å; S595-A597 PolarHBondContact O-N 3.05Å; S595-A597 VanDerWaalsContact O-N 3.13Å; A597-R601 WeakPolarHBondContact O-CB 3.5Å; A597-R601 PolarHBondContact O-N 2.68Å; A597-C642 PolarHBondContact N-SG 3.21Å; A597-T647 HydrophobicContact CB-CG2 3.93Å; A597-C648 HydrophobicContact CB-CB 4.36Å |
| 598 | E | 89.8 | Confident | 93.8 | Very high | 92 Ų | 92 | 52 Ų | 52 | 43% | 0.43 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -75.9 | -39.4 | 171.9 | -178.9 | 170.8 | -118 | 0 | 0 | 111.2 | S595 L596 R601 R602 N650 | S595-E598 PolarHBondContact O-N 2.62Å; L596-E598 VanDerWaalsContact C-N 3.32Å; L596-E598 PolarHBondContact O-N 3.38Å; E598-R601 CarbonylContact O-C 3.59Å; E598-R601 PolarHBondContact O-N 2.9Å; E598-R602 WeakPolarHBondContact O-CB 3.29Å; E598-R602 PolarHBondContact O-N 3.28Å; E598-N650 HydrophobicContact CB-CB 4.46Å; E598-N650 VanDerWaalsContact CD-ND2 3.32Å; E598-N650 PolarHBondContact OE1-ND2 3.45Å; E598-N650 VanDerWaalsContact OE2-CB 3.23Å; E598-N650 WeakPolarHBondContact OE2-CB 3.34Å; E598-N650 PolarHBondContact OE2-ND2 3.37Å |
| 599 | T | 89.4 | Confident | 93.5 | Very high | 45 Ų | 45 | 60.2 Ų | 60.2 | 28% | 0.276 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61 | -48.1 | 177.1 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | S595 L596 R602 L603 | S595-T599 PolarHBondContact O-N 2.87Å; L596-T599 WeakPolarHBondContact O-CB 3.43Å; L596-T599 PolarHBondContact O-N 3Å; L596-T599 VanDerWaalsContact O-N 3.14Å; T599-R602 PolarHBondContact O-N 2.64Å; T599-L603 HydrophobicContact CG2-CD1 3.93Å; T599-L603 WeakPolarHBondContact O-CG 3.3Å; T599-L603 PolarHBondContact O-N 2.9Å |
| 600 | H | 90.4 | Very high | 93.3 | Very high | 56 Ų | 56 | 67.8 Ų | 67.8 | 26% | 0.259 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -52.6 | -57.5 | 171 | -83.2 | -121.8 | 0 | 0 | 0 | 110.8 | L596 R602 L603 E604 | L596-H600 PolarHBondContact O-CD2 3.4Å; L596-H600 PolarHBondContact O-N 3.46Å; H600-R602 PolarHBondContact O-N 2.67Å; H600-R602 VanDerWaalsContact O-N 3.14Å; H600-L603 PolarHBondContact O-N 3Å; H600-E604 WeakPolarHBondContact O-CB 3.34Å; H600-E604 VanDerWaalsContact O-CG 3.32Å; H600-E604 WeakPolarHBondContact O-CG 3.33Å; H600-E604 PolarHBondContact O-N 2.97Å |
| 601 | R | 90.1 | Very high | 92.9 | Very high | 142 Ų | 142 | 79.1 Ų | 79.1 | 54% | 0.536 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.3 | -21.7 | -177.9 | -164.8 | 174.1 | 179.9 | -170.6 | 0.2 | 113.9 | A597 E598 E604 R605 | A597-R601 WeakPolarHBondContact O-CB 3.5Å; A597-R601 PolarHBondContact O-N 2.68Å; E598-R601 CarbonylContact O-C 3.59Å; E598-R601 PolarHBondContact O-N 2.9Å; R601-E604 WeakPolarHBondContact CA-OE2 3.29Å; R601-R605 WeakPolarHBondContact O-CG 3.48Å; R601-R605 PolarHBondContact O-NE 2.98Å; R601-R605 PolarHBondContact O-NH2 3.17Å |
| 602 | R | 90.1 | Very high | 92.7 | Very high | 164 Ų | 164 | 82.3 Ų | 82.3 | 62% | 0.619 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -75.8 | -46.4 | 170.4 | 179.4 | -179.3 | 174.1 | -170.7 | -2.6 | 111.1 | E598 T599 H600 R605 L606 | E598-R602 WeakPolarHBondContact O-CB 3.29Å; E598-R602 PolarHBondContact O-N 3.28Å; T599-R602 PolarHBondContact O-N 2.64Å; H600-R602 PolarHBondContact O-N 2.67Å; H600-R602 VanDerWaalsContact O-N 3.14Å; R602-R605 PolarHBondContact O-N 3.37Å; R602-L606 HydrophobicContact CG-CD1 4.23Å; R602-L606 WeakPolarHBondContact O-CG 3.46Å; R602-L606 PolarHBondContact O-N 2.94Å |
| 603 | L | 91 | Very high | 92.3 | Very high | 49 Ų | 49 | 87.9 Ų | 87.9 | 26% | 0.257 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.4 | -40.6 | -179.2 | -68 | 169.7 | 0 | 0 | 0 | 111.8 | T599 H600 R605 L606 A607 L614 V616 | T599-L603 HydrophobicContact CG2-CD1 3.93Å; T599-L603 WeakPolarHBondContact O-CG 3.3Å; T599-L603 PolarHBondContact O-N 2.9Å; H600-L603 PolarHBondContact O-N 3Å; L603-R605 VanDerWaalsContact C-N 3.35Å; L603-R605 PolarHBondContact O-N 2.89Å; L603-L606 CarbonylContact O-C 3.54Å; L603-L606 PolarHBondContact O-N 3.09Å; L603-A607 WeakPolarHBondContact O-CB 3.44Å; L603-A607 PolarHBondContact O-N 3.03Å; L603-L614 HydrophobicContact CB-CD1 3.84Å; L603-V616 HydrophobicContact CB-CG2 4.34Å; L603-V616 HydrophobicContact CD1-CB 4.23Å; L603-V616 HydrophobicContact CD1-CG1 3.98Å; L603-V616 HydrophobicContact CD1-CG2 3.95Å |
| 604 | E | 91.1 | Very high | 91.8 | Very high | 86 Ų | 86 | 91.9 Ų | 91.9 | 40% | 0.402 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -50.7 | -50.4 | 170.9 | -75.2 | 158.7 | -159.5 | 0 | 0 | 112.2 | H600 R601 L606 A607 L608 L614 | H600-E604 WeakPolarHBondContact O-CB 3.34Å; H600-E604 VanDerWaalsContact O-CG 3.32Å; H600-E604 WeakPolarHBondContact O-CG 3.33Å; H600-E604 PolarHBondContact O-N 2.97Å; R601-E604 WeakPolarHBondContact CA-OE2 3.29Å; E604-L606 VanDerWaalsContact C-N 3.27Å; E604-L606 PolarHBondContact O-N 3.14Å; E604-A607 PolarHBondContact O-N 3.45Å; E604-L608 VanDerWaalsContact O-CB 3.31Å; E604-L608 WeakPolarHBondContact O-CB 3.46Å; E604-L608 PolarHBondContact O-N 3.17Å; E604-L614 HydrophobicContact CG-CD1 4.13Å; E604-L614 HydrophobicContact CG-CD2 3.6Å |
| 605 | R | 92.2 | Very high | 91.3 | Very high | 138 Ų | 138 | 99.3 Ų | 99.3 | 52% | 0.521 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.2 | -27.1 | 178.2 | -74.5 | 179.4 | -69.5 | 157.5 | -1 | 113.1 | R601 R602 L603 R609 | R601-R605 WeakPolarHBondContact O-CG 3.48Å; R601-R605 PolarHBondContact O-NE 2.98Å; R601-R605 PolarHBondContact O-NH2 3.17Å; R602-R605 PolarHBondContact O-N 3.37Å; L603-R605 VanDerWaalsContact C-N 3.35Å; L603-R605 PolarHBondContact O-N 2.89Å; R605-R609 WeakPolarHBondContact O-CB 3.44Å; R605-R609 VanDerWaalsContact O-CD 3.31Å; R605-R609 WeakPolarHBondContact O-CD 3.49Å; R605-R609 WeakPolarHBondContact O-CG 3.39Å; R605-R609 PolarHBondContact O-N 2.74Å |
| 606 | L | 91.2 | Very high | 90.8 | Very high | 70 Ų | 70 | 99.9 Ų | 99.9 | 37% | 0.366 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -81.4 | -42.4 | 176.5 | -71.2 | 169.3 | 0 | 0 | 0 | 111.6 | R602 L603 E604 R609 K610 | R602-L606 HydrophobicContact CG-CD1 4.23Å; R602-L606 WeakPolarHBondContact O-CG 3.46Å; R602-L606 PolarHBondContact O-N 2.94Å; L603-L606 CarbonylContact O-C 3.54Å; L603-L606 PolarHBondContact O-N 3.09Å; E604-L606 VanDerWaalsContact C-N 3.27Å; E604-L606 PolarHBondContact O-N 3.14Å; L606-R609 PolarHBondContact O-N 2.74Å; L606-K610 WeakPolarHBondContact O-CB 3.34Å; L606-K610 WeakPolarHBondContact O-CG 3.44Å; L606-K610 PolarHBondContact O-N 2.79Å |
| 607 | A | 93.2 | Very high | 90.5 | Very high | 11 Ų | 11 | 103.4 Ų | 103.4 | 9% | 0.091 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -59.7 | -47.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | L603 E604 R609 K610 R611 T612 L614 | L603-A607 WeakPolarHBondContact O-CB 3.44Å; L603-A607 PolarHBondContact O-N 3.03Å; E604-A607 PolarHBondContact O-N 3.45Å; A607-R609 VanDerWaalsContact C-N 3.33Å; A607-R609 PolarHBondContact O-N 2.69Å; A607-K610 CarbonylContact O-C 3.52Å; A607-K610 PolarHBondContact O-N 3.03Å; A607-K610 VanDerWaalsContact O-N 3.16Å; A607-R611 WeakPolarHBondContact O-CA 3.39Å; A607-R611 PolarHBondContact O-N 2.74Å; A607-T612 PolarHBondContact O-N 3.41Å; A607-T612 VanDerWaalsContact O-N 3.15Å; A607-L614 HydrophobicContact CB-CB 4.41Å; A607-L614 HydrophobicContact CB-CD1 4.43Å |
| 608 | L | 93 | Very high | 90.5 | Very high | 144 Ų | 144 | 106.5 Ų | 106.5 | 75% | 0.754 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60 | -40 | 175.8 | -174.5 | 64.3 | 0 | 0 | 0 | 112.6 | E604 | E604-L608 VanDerWaalsContact O-CB 3.31Å; E604-L608 WeakPolarHBondContact O-CB 3.46Å; E604-L608 PolarHBondContact O-N 3.17Å |
| 609 | R | 92.9 | Very high | 90.8 | Very high | 206 Ų | 206 | 102.5 Ų | 102.5 | 78% | 0.777 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.5 | -35.6 | 175.4 | -78 | 171.8 | 177.4 | -170.7 | -3.8 | 113.2 | R605 L606 A607 | R605-R609 WeakPolarHBondContact O-CB 3.44Å; R605-R609 VanDerWaalsContact O-CD 3.31Å; R605-R609 WeakPolarHBondContact O-CD 3.49Å; R605-R609 WeakPolarHBondContact O-CG 3.39Å; R605-R609 PolarHBondContact O-N 2.74Å; L606-R609 PolarHBondContact O-N 2.74Å; A607-R609 VanDerWaalsContact C-N 3.33Å; A607-R609 PolarHBondContact O-N 2.69Å |
| 610 | K | 92.8 | Very high | 91.2 | Very high | 158 Ų | 158 | 101.4 Ų | 101.4 | 69% | 0.687 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -88 | -9.2 | 179.5 | -69.4 | -171.9 | 175.6 | -169.1 | 0 | 114 | L606 A607 T612 | L606-K610 WeakPolarHBondContact O-CB 3.34Å; L606-K610 WeakPolarHBondContact O-CG 3.44Å; L606-K610 PolarHBondContact O-N 2.79Å; A607-K610 CarbonylContact O-C 3.52Å; A607-K610 PolarHBondContact O-N 3.03Å; A607-K610 VanDerWaalsContact O-N 3.16Å; K610-T612 HydrophobicContact CB-CG2 3.89Å; K610-T612 PolarHBondContact O-N 3.21Å |
| 611 | R | 91.6 | Very high | 91.5 | Very high | 239 Ų | 239 | 98.8 Ų | 98.8 | 90% | 0.902 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 31.6 | -168.4 | -57.8 | -177.6 | 177.4 | -179.1 | -1.1 | 113.4 | A607 | A607-R611 WeakPolarHBondContact O-CA 3.39Å; A607-R611 PolarHBondContact O-N 2.74Å |
| 612 | T | 93 | Very high | 91.8 | Very high | 73 Ų | 73 | 92.8 Ų | 92.8 | 45% | 0.448 | 44% | 0.443 | S | S | . | . | trans | -97.2 | 161.4 | 175.7 | 56.2 | 0 | 0 | 0 | 0 | 110.9 | A607 K610 | A607-T612 PolarHBondContact O-N 3.41Å; A607-T612 VanDerWaalsContact O-N 3.15Å; K610-T612 HydrophobicContact CB-CG2 3.89Å; K610-T612 PolarHBondContact O-N 3.21Å | ||
| 613 | P | 88.4 | Confident | 92 | Very high | 118 Ų | 118 | 85 Ų | 85 | 77% | 0.766 | 41% | 0.413 | S | S | * | . | trans | -52.6 | 153.4 | 165 | -25.5 | 35.6 | 0 | 0 | 0 | 112.2 | E615 | P613-E615 PolarHBondContact O-N 3.46Š| ||
| 614 | L | 88.7 | Confident | 92.1 | Very high | 85 Ų | 85 | 82.7 Ų | 82.7 | 45% | 0.445 | 40% | 0.401 | S | S | . | . | trans | -81.6 | 107.4 | 169.5 | 175 | 60.2 | 0 | 0 | 0 | 109.3 | L603 E604 A607 V616 | L603-L614 HydrophobicContact CB-CD1 3.84Å; E604-L614 HydrophobicContact CG-CD1 4.13Å; E604-L614 HydrophobicContact CG-CD2 3.6Å; A607-L614 HydrophobicContact CB-CB 4.41Å; A607-L614 HydrophobicContact CB-CD1 4.43Å; L614-V616 HydrophobicContact CD1-CG2 3.71Å; L614-V616 HydrophobicContact CD2-CG2 4.43Å; L614-V616 HydrophobicContact CG-CG2 3.99Å | ||
| 615 | E | 86.8 | Confident | 92 | Very high | 163 Ų | 163 | 79.2 Ų | 79.2 | 76% | 0.762 | 39% | 0.387 | S | S | * | . | trans | -104.4 | 124.5 | 167.9 | -171.6 | 174.3 | -166 | 0 | 0 | 109 | P613 | P613-E615 PolarHBondContact O-N 3.46Š| ||
| 616 | V | 84.5 | Confident | 91.6 | Very high | 35 Ų | 35 | 74 Ų | 74 | 21% | 0.212 | 37% | 0.372 | C | S | . | . | trans | -123.7 | 115.4 | 172.7 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | L603 L614 | L603-V616 HydrophobicContact CB-CG2 4.34Å; L603-V616 HydrophobicContact CD1-CB 4.23Å; L603-V616 HydrophobicContact CD1-CG1 3.98Å; L603-V616 HydrophobicContact CD1-CG2 3.95Å; L614-V616 HydrophobicContact CD1-CG2 3.71Å; L614-V616 HydrophobicContact CD2-CG2 4.43Å; L614-V616 HydrophobicContact CG-CG2 3.99Å | ||
| 617 | P | 88.3 | Confident | 90.9 | Very high | 82 Ų | 82 | 71.6 Ų | 71.6 | 53% | 0.532 | 36% | 0.363 | S | S | . | . | trans | -58.3 | 127.7 | 176.2 | -26.7 | 35.7 | 0 | 0 | 0 | 111.4 | ||||
| 618 | P | 92.5 | Very high | 89.8 | Confident | 81 Ų | 81 | 77 Ų | 77 | 53% | 0.526 | 39% | 0.385 | S | S | . | . | trans | -72.4 | 132.9 | -179.9 | 28.5 | -33 | 0 | 0 | 0 | 110.6 | P526 I620 | P526-P618 HydrophobicContact CG-CG 4.3Å; P618-I620 HydrophobicContact CB-CD1 4.23Å | ||
| 619 | V | 96.1 | Very high | 88.5 | Confident | 7 Ų | 7 | 74.9 Ų | 74.9 | 4% | 0.042 | 39% | 0.388 | C | S | . | . | trans | -91.2 | 115.7 | 176.6 | -172.9 | 0 | 0 | 0 | 0 | 108.7 | L528 P529 F594 L596 P639 A640 | L528-V619 HydrophobicContact CD2-CG1 4.45Å; P529-V619 HydrophobicContact CG-CB 4.49Å; P529-V619 HydrophobicContact CG-CG1 4.26Å; P529-V619 HydrophobicContact CG-CG2 3.42Å; P529-V619 VanDerWaalsContact CG-CG2 3.42Å; F594-V619 HydrophobicContact CB-CG1 4.18Å; F594-V619 HydrophobicContact CD1-CG1 4.37Å; F594-V619 HydrophobicContact CD2-CG1 3.49Å; F594-V619 VanDerWaalsContact CD2-CG1 3.49Å; F594-V619 HydrophobicContact CE2-CG1 3.88Å; F594-V619 HydrophobicContact CG-CG1 3.76Å; F594-V619 HydrophobicContact CZ-CG1 4.46Å; L596-V619 HydrophobicContact CD1-CG2 3.86Å; V619-P639 WeakPolarHBondContact O-CA 3.42Å; V619-A640 HydrophobicContact CB-CB 4.03Å; V619-A640 HydrophobicContact CG1-CB 4.42Å; V619-A640 PolarHBondContact O-N 3.07Å | ||
| 620 | I | 97.2 | Very high | 87.5 | Confident | 23 Ų | 23 | 70.1 Ų | 70.1 | 12% | 0.118 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.4 | -175.9 | -53.7 | -56.7 | 0 | 0 | 0 | 109.7 | T525 P526 P618 L637 P639 | T525-I620 HydrophobicContact CG2-CB 4.17Å; T525-I620 HydrophobicContact CG2-CG2 3.84Å; P526-I620 HydrophobicContact CG-CG1 4.25Å; P618-I620 HydrophobicContact CB-CD1 4.23Å; I620-L637 HydrophobicContact CG2-CB 3.76Å; I620-L637 HydrophobicContact CG2-CD2 3.98Å; I620-L637 HydrophobicContact CG2-CG 4.29Å; I620-P639 HydrophobicContact CD1-CB 3.8Å |
| 621 | V | 97.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 138.1 | 169.5 | 176.4 | 0 | 0 | 0 | 0 | 109.1 | I555 G559 Y590 F594 V638 | I555-V621 HydrophobicContact CG2-CG2 4.27Å; G559-V621 CarbonylContact O-C 3.6Å; G559-V621 VanDerWaalsContact O-CA 3.31Å; G559-V621 WeakPolarHBondContact O-CA 3.4Å; G559-V621 WeakPolarHBondContact O-CG1 3.49Å; Y590-V621 HydrophobicContact CD1-CG2 4.04Å; Y590-V621 HydrophobicContact CD2-CB 3.82Å; Y590-V621 HydrophobicContact CD2-CG1 4.31Å; Y590-V621 HydrophobicContact CD2-CG2 3.72Å; Y590-V621 HydrophobicContact CE1-CG1 4.07Å; Y590-V621 HydrophobicContact CE1-CG2 4.4Å; Y590-V621 HydrophobicContact CE2-CB 3.75Å; Y590-V621 HydrophobicContact CE2-CG1 3.84Å; Y590-V621 HydrophobicContact CE2-CG2 4.12Å; Y590-V621 HydrophobicContact CG-CB 4.27Å; Y590-V621 HydrophobicContact CG-CG2 3.7Å; F594-V621 HydrophobicContact CE2-CG2 4.09Å; V621-V638 PolarHBondContact N-O 3.1Å; V621-V638 PolarHBondContact O-N 2.78Å |
| 622 | K | 95.8 | Very high | 86.2 | Confident | 17 Ų | 17 | 54.9 Ų | 54.9 | 7% | 0.074 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 110 | 174.7 | -63.2 | -179 | 178.2 | -178.4 | 0 | 109.7 | I523 T525 G559 E560 M561 W624 P635 L637 | I523-K622 WeakPolarHBondContact O-CE 3.28Å; I523-K622 PolarHBondContact O-NZ 3.29Å; T525-K622 HydrophobicContact CG2-CG 4.36Å; G559-K622 PolarHBondContact O-N 3.06Å; E560-K622 WeakPolarHBondContact CA-O 3.44Å; E560-K622 HydrophobicContact CB-CB 4.35Å; E560-K622 HydrophobicContact CG-CB 4.1Å; E560-K622 HydrophobicContact CG-CD 4.18Å; E560-K622 HydrophobicContact CG-CG 4.5Å; M561-K622 PolarHBondContact N-O 3.39Å; K622-W624 HydrophobicContact CB-CZ2 4.27Å; K622-W624 HydrophobicContact CD-CZ2 3.95Å; K622-P635 HydrophobicContact CB-CB 3.85Å; K622-P635 HydrophobicContact CB-CG 4.45Å; K622-P635 HydrophobicContact CD-CG 4.3Å; K622-P635 HydrophobicContact CG-CB 4.29Å; K622-P635 HydrophobicContact CG-CG 4.38Å; K622-L637 HydrophobicContact CG-CD2 4Å |
| 623 | E | 95.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 111.8 | 171.9 | -69.2 | -173.3 | 171.3 | 0 | 0 | 110.1 | M561 R583 R586 Y590 E636 V638 | M561-E623 WeakPolarHBondContact O-CA 3.49Å; R583-E623 IonicContact NE-OE2 2.7Å; R586-E623 IonicContact CZ-OE1 2.72Å; R586-E623 VanDerWaalsContact CZ-OE1 3.32Å; R586-E623 IonicContact CZ-OE2 2.79Å; R586-E623 IonicContact NE-OE1 2.96Å; R586-E623 PolarHBondContact NE-OE1 3.49Å; R586-E623 IonicContact NE-OE2 3.27Å; R586-E623 IonicContact NH2-OE1 3.76Å; R586-E623 PolarHBondContact NH2-OE1 3.48Å; R586-E623 IonicContact NH2-OE2 3.6Å; R586-E623 PolarHBondContact NH2-OE2 3.48Å; Y590-E623 PolarHBondContact OH-OE1 3.23Å; Y590-E623 VanDerWaalsContact OH-OE1 3.1Å; E623-E636 HydrophobicContact CB-CB 4.37Å; E623-E636 PolarHBondContact N-O 3.37Å; E623-E636 PolarHBondContact O-N 3.01Å; E623-V638 HydrophobicContact CB-CG2 4.16Å; E623-V638 HydrophobicContact CG-CB 4.17Å; E623-V638 HydrophobicContact CG-CG2 3.8Å |
| 624 | W | 92.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 117.5 | 176.8 | -57.9 | 97.9 | 0 | 0 | 0 | 109.8 | W119 W122 E560 M561 K562 M563 K622 P635 | W119-W624 HydrophobicContact CE3-CE3 4.45Å; W119-W624 HydrophobicContact CE3-CH2 4.19Å; W119-W624 HydrophobicContact CE3-CZ2 4.4Å; W119-W624 HydrophobicContact CE3-CZ3 4.18Å; W119-W624 HydrophobicContact CH2-CD2 4.06Å; W119-W624 AromaticContact CH2-CE2 3.28Å; W119-W624 HydrophobicContact CH2-CE3 4.48Å; W119-W624 AromaticContact CH2-CH2 3.65Å; W119-W624 HydrophobicContact CH2-CH2 3.65Å; W119-W624 AromaticContact CH2-CZ2 3.09Å; W119-W624 HydrophobicContact CH2-CZ2 3.09Å; W119-W624 HydrophobicContact CH2-CZ3 4.28Å; W119-W624 AromaticContact CH2-NE1 3.6Å; W119-W624 HydrophobicContact CZ2-CD2 4.4Å; W119-W624 AromaticContact CZ2-CE2 3.83Å; W119-W624 HydrophobicContact CZ2-CZ2 4.1Å; W119-W624 AromaticContact CZ2-NE1 3.74Å; W119-W624 HydrophobicContact CZ3-CD2 4.19Å; W119-W624 AromaticContact CZ3-CE2 3.71Å; W119-W624 HydrophobicContact CZ3-CE3 4.14Å; W119-W624 AromaticContact CZ3-CH2 3.26Å; W119-W624 HydrophobicContact CZ3-CH2 3.26Å; W119-W624 AromaticContact CZ3-CZ2 3.28Å; W119-W624 HydrophobicContact CZ3-CZ2 3.28Å; W119-W624 AromaticContact CZ3-CZ3 3.68Å; W119-W624 HydrophobicContact CZ3-CZ3 3.68Å; W122-W624 HydrophobicContact CH2-CB 3.69Å; W122-W624 HydrophobicContact CZ2-CB 4.45Å; W122-W624 HydrophobicContact CZ3-CB 4.08Å; E560-W624 PolarHBondContact OE2-NE1 3.45Å; M561-W624 PolarHBondContact O-N 3.3Å; K562-W624 HydrophobicContact CG-CB 4.34Å; M563-W624 PolarHBondContact N-O 2.88Å; K622-W624 HydrophobicContact CB-CZ2 4.27Å; K622-W624 HydrophobicContact CD-CZ2 3.95Å; W624-P635 HydrophobicContact CD2-CB 3.9Å; W624-P635 HydrophobicContact CE3-CB 3.83Å; W624-P635 HydrophobicContact CE3-CG 4.42Å; W624-P635 HydrophobicContact CH2-CB 3.61Å; W624-P635 VanDerWaalsContact CH2-CD 3.41Å; W624-P635 HydrophobicContact CH2-CG 3.41Å; W624-P635 VanDerWaalsContact CH2-CG 3.41Å; W624-P635 HydrophobicContact CZ2-CB 3.69Å; W624-P635 HydrophobicContact CZ2-CG 3.81Å; W624-P635 HydrophobicContact CZ3-CB 3.72Å; W624-P635 HydrophobicContact CZ3-CG 3.79Å |
| 625 | S | 89.5 | Confident | 86 | Confident | 14 Ų | 14 | 47 Ų | 47 | 10% | 0.098 | 27% | 0.274 | C | S | . | . | trans | -142.5 | 156 | -178.9 | 65.3 | 0 | 0 | 0 | 0 | 112 | A632 | S625-A632 WeakPolarHBondContact O-CA 3.48Š| ||
| 626 | S | 83.4 | Confident | 86.2 | Confident | 29 Ų | 29 | 40.5 Ų | 40.5 | 20% | 0.203 | 24% | 0.244 | C | C | . | . | trans | -111 | 129.8 | 173.2 | -168.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 627 | G | 75.8 | Confident | 86.7 | Confident | 19 Ų | 19 | 42.7 Ų | 42.7 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -165.1 | 164.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A629 K630 | G627-A629 VanDerWaalsContact C-N 3.31Å; G627-A629 PolarHBondContact O-N 2.91Å; G627-K630 PolarHBondContact O-N 3.12Å; G627-K630 VanDerWaalsContact O-O 3.08Å |
| 628 | K | 70.4 | Confident | 87.1 | Confident | 123 Ų | 123 | 38.9 Ų | 38.9 | 54% | 0.535 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -40.9 | -46.3 | -168 | -159.1 | 150 | 168.1 | 176.8 | 0 | 117 | E570 C571 | E570-K628 HydrophobicContact CB-CB 4.48Å; E570-K628 HydrophobicContact CB-CD 3.6Å; E570-K628 HydrophobicContact CG-CD 4.5Å; E570-K628 PolarHBondContact O-NZ 3.39Å; E570-K628 WeakPolarHBondContact OE1-CB 3.28Å; E570-K628 PolarHBondContact OE1-N 2.96Å; C571-K628 PolarHBondContact SG-NZ 3.46Å |
| 629 | A | 66.1 | Low | 87.3 | Confident | 100 Ų | 100 | 37.6 Ų | 37.6 | 83% | 0.826 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 7.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G627 | G627-A629 VanDerWaalsContact C-N 3.31Å; G627-A629 PolarHBondContact O-N 2.91Å |
| 630 | K | 71.8 | Confident | 87.4 | Confident | 107 Ų | 107 | 37.7 Ų | 37.7 | 47% | 0.465 | 22% | 0.223 | S | C | . | . | B | Isolated β-bridge | trans | -134.5 | 133.5 | -172.3 | -62.5 | -169.7 | -179.4 | -171.2 | 0 | 112.8 | G627 E636 | G627-K630 PolarHBondContact O-N 3.12Å; G627-K630 VanDerWaalsContact O-O 3.08Å; K630-E636 HydrophobicContact CD-CG 4.42Å; K630-E636 IonicContact NZ-OE1 3.44Å; K630-E636 PolarHBondContact NZ-OE1 3.47Å |
| 631 | S | 76.9 | Confident | 87.3 | Confident | 68 Ų | 68 | 39.7 Ų | 39.7 | 48% | 0.476 | 23% | 0.233 | S | C | . | . | trans | -65.2 | 134.2 | 167.7 | 179 | 0 | 0 | 0 | 0 | 109.9 | L633 T634 | S631-L633 PolarHBondContact O-N 3.39Å; S631-L633 PolarHBondContact OG-N 2.92Å; S631-T634 PolarHBondContact O-N 3.48Å | ||
| 632 | A | 80.2 | Confident | 87.2 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 7% | 0.066 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -18 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | W122 A123 S625 T634 | W122-A632 HydrophobicContact CH2-CB 4.39Å; W122-A632 HydrophobicContact CZ3-CB 4.03Å; W122-A632 WeakPolarHBondContact CZ3-O 3.18Å; A123-A632 HydrophobicContact CB-CB 3.9Å; S625-A632 WeakPolarHBondContact O-CA 3.48Å; A632-T634 VanDerWaalsContact C-N 3.29Å |
| 633 | L | 85.2 | Confident | 87 | Confident | 52 Ų | 52 | 41.4 Ų | 41.4 | 27% | 0.272 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 12 | 175.3 | -60.8 | 176.2 | 0 | 0 | 0 | 113.4 | W119 A123 S631 | W119-L633 HydrophobicContact CB-CD2 4.04Å; A123-L633 HydrophobicContact CB-CD2 3.81Å; A123-L633 HydrophobicContact CB-CG 3.93Å; S631-L633 PolarHBondContact O-N 3.39Å; S631-L633 PolarHBondContact OG-N 2.92Å |
| 634 | T | 88.3 | Confident | 86.5 | Confident | 47 Ų | 47 | 52 Ų | 52 | 29% | 0.288 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -122.6 | 119.7 | 171.5 | -53.2 | 0 | 0 | 0 | 0 | 109.1 | I523 S631 A632 | I523-T634 HydrophobicContact CD1-CG2 4.38Å; S631-T634 PolarHBondContact O-N 3.48Å; A632-T634 VanDerWaalsContact C-N 3.29Å |
| 635 | P | 91.4 | Very high | 86 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 7% | 0.071 | 32% | 0.315 | C | S | . | . | trans | -80.2 | 155.4 | -177.3 | 32.8 | -31.4 | 0 | 0 | 0 | 111.7 | H520 I523 K622 W624 | H520-P635 WeakPolarHBondContact O-CD 3.4Å; I523-P635 HydrophobicContact CD1-CG 4.01Å; K622-P635 HydrophobicContact CB-CB 3.85Å; K622-P635 HydrophobicContact CB-CG 4.45Å; K622-P635 HydrophobicContact CD-CG 4.3Å; K622-P635 HydrophobicContact CG-CB 4.29Å; K622-P635 HydrophobicContact CG-CG 4.38Å; W624-P635 HydrophobicContact CD2-CB 3.9Å; W624-P635 HydrophobicContact CE3-CB 3.83Å; W624-P635 HydrophobicContact CE3-CG 4.42Å; W624-P635 HydrophobicContact CH2-CB 3.61Å; W624-P635 VanDerWaalsContact CH2-CD 3.41Å; W624-P635 HydrophobicContact CH2-CG 3.41Å; W624-P635 VanDerWaalsContact CH2-CG 3.41Å; W624-P635 HydrophobicContact CZ2-CB 3.69Å; W624-P635 HydrophobicContact CZ2-CG 3.81Å; W624-P635 HydrophobicContact CZ3-CB 3.72Å; W624-P635 HydrophobicContact CZ3-CG 3.79Å | ||
| 636 | E | 91.8 | Very high | 85.8 | Confident | 28 Ų | 28 | 59.4 Ų | 59.4 | 13% | 0.131 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 128 | 160.1 | -61.1 | -173.3 | 118.3 | 0 | 0 | 109.4 | R583 E623 K630 V638 | R583-E636 IonicContact CZ-OE1 2.77Å; R583-E636 IonicContact CZ-OE2 3.63Å; R583-E636 IonicContact NE-OE2 3.49Å; R583-E636 IonicContact NH2-OE1 3.2Å; R583-E636 PolarHBondContact NH2-OE1 2.93Å; R583-E636 IonicContact NH2-OE2 3.87Å; R583-E636 PolarHBondContact NH2-OE2 2.79Å; E623-E636 HydrophobicContact CB-CB 4.37Å; E623-E636 PolarHBondContact N-O 3.37Å; E623-E636 PolarHBondContact O-N 3.01Å; K630-E636 HydrophobicContact CD-CG 4.42Å; K630-E636 IonicContact NZ-OE1 3.44Å; K630-E636 PolarHBondContact NZ-OE1 3.47Å; E636-V638 HydrophobicContact CB-CG2 4.16Å; E636-V638 PolarHBondContact O-N 2.82Å |
| 637 | L | 94.6 | Very high | 86.1 | Confident | 80 Ų | 80 | 61.4 Ų | 61.4 | 42% | 0.419 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 108.4 | 173.4 | -62.7 | -168.5 | 0 | 0 | 0 | 109.5 | I523 T525 I620 K622 | I523-L637 HydrophobicContact CG2-CD1 3.88Å; I523-L637 HydrophobicContact CG2-CD2 4.04Å; I523-L637 HydrophobicContact CG2-CG 4.33Å; T525-L637 HydrophobicContact CG2-CD2 3.77Å; I620-L637 HydrophobicContact CG2-CB 3.76Å; I620-L637 HydrophobicContact CG2-CD2 3.98Å; I620-L637 HydrophobicContact CG2-CG 4.29Å; K622-L637 HydrophobicContact CG-CD2 4Å |
| 638 | V | 96.6 | Very high | 86.9 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 111.3 | -172.2 | 176.7 | 0 | 0 | 0 | 0 | 110.1 | R583 Q587 Y590 V621 E623 E636 | R583-V638 HydrophobicContact CG-CG1 3.91Å; R583-V638 HydrophobicContact CG-CG2 4.37Å; Q587-V638 HydrophobicContact CG-CG1 3.43Å; Q587-V638 VanDerWaalsContact CG-CG1 3.43Å; Y590-V638 HydrophobicContact CD2-CG1 4.36Å; Y590-V638 HydrophobicContact CE2-CG1 3.98Å; V621-V638 PolarHBondContact N-O 3.1Å; V621-V638 PolarHBondContact O-N 2.78Å; E623-V638 HydrophobicContact CB-CG2 4.16Å; E623-V638 HydrophobicContact CG-CB 4.17Å; E623-V638 HydrophobicContact CG-CG2 3.8Å; E636-V638 HydrophobicContact CB-CG2 4.16Å; E636-V638 PolarHBondContact O-N 2.82Å |
| 639 | P | 97.3 | Very high | 87.9 | Confident | 53 Ų | 53 | 55.9 Ų | 55.9 | 34% | 0.344 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 135.6 | -178.9 | 29 | -32.5 | 0 | 0 | 0 | 111.4 | Q587 V619 I620 | Q587-P639 VanDerWaalsContact CG-O 3.28Å; Q587-P639 WeakPolarHBondContact CG-O 3.43Å; Q587-P639 PolarHBondContact NE2-O 2.85Å; V619-P639 WeakPolarHBondContact O-CA 3.42Å; I620-P639 HydrophobicContact CD1-CB 3.8Å |
| 640 | A | 97.6 | Very high | 89.2 | Confident | 10 Ų | 10 | 52.9 Ų | 52.9 | 8% | 0.083 | 27% | 0.271 | C | S | . | . | trans | -64.4 | 148.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q587 L596 V619 | Q587-A640 WeakPolarHBondContact O-CA 3.17Å; L596-A640 HydrophobicContact CD2-CB 4.05Å; V619-A640 HydrophobicContact CB-CB 4.03Å; V619-A640 HydrophobicContact CG1-CB 4.42Å; V619-A640 PolarHBondContact O-N 3.07Å | ||
| 641 | L | 96.3 | Very high | 90.3 | Very high | 64 Ų | 64 | 48 Ų | 48 | 34% | 0.335 | 25% | 0.25 | S | C | . | . | trans | -128.7 | 140.3 | -177.1 | -66.4 | 176.7 | 0 | 0 | 0 | 112.3 | Q587 Y588 | Q587-L641 HydrophobicContact CB-CB 4.28Å; Q587-L641 HydrophobicContact CB-CD1 3.83Å; Q587-L641 HydrophobicContact CB-CG 3.93Å; Q587-L641 HydrophobicContact CG-CD1 4.45Å; Q587-L641 PolarHBondContact O-N 3.08Å; Y588-L641 HydrophobicContact CD1-CB 3.83Å; Y588-L641 HydrophobicContact CE1-CB 3.85Å; Y588-L641 HydrophobicContact CE1-CD1 4.45Å | ||
| 642 | C | 94 | Very high | 91.2 | Very high | 34 Ų | 34 | 50.3 Ų | 50.3 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | trans | -79 | 147.3 | 164.6 | -70.5 | 0 | 0 | 0 | 0 | 110.9 | Y588 L596 A597 | Y588-C642 WeakPolarHBondContact CE1-O 3.33Å; L596-C642 VanDerWaalsContact CG-SG 3.58Å; A597-C642 PolarHBondContact N-SG 3.21Å | ||
| 643 | F | 92.4 | Very high | 91.9 | Very high | 19 Ų | 19 | 54.3 Ų | 54.3 | 8% | 0.083 | 26% | 0.261 | C | S | . | . | trans | -59.7 | 148.8 | 159.5 | -48.2 | -57.9 | 0 | 0 | 0 | 109.6 | Y588 V592 W646 C648 A672 | Y588-F643 AromaticContact CD1-CD1 3.74Å; Y588-F643 HydrophobicContact CD1-CD1 3.74Å; Y588-F643 HydrophobicContact CD1-CE1 4.01Å; Y588-F643 HydrophobicContact CE1-CD1 4.27Å; Y588-F643 HydrophobicContact CG-CD1 4.09Å; Y588-F643 AromaticContact CG-CE1 3.93Å; Y588-F643 HydrophobicContact CG-CE1 3.93Å; V592-F643 HydrophobicContact CG2-CE2 3.96Å; V592-F643 HydrophobicContact CG2-CZ 3.84Å; F643-W646 AromaticContact CD2-CD1 3.88Å; F643-W646 AromaticContact CD2-CE2 3.73Å; F643-W646 HydrophobicContact CD2-CZ2 4.09Å; F643-W646 AromaticContact CD2-NE1 3.15Å; F643-W646 AromaticContact CE2-CZ2 3.9Å; F643-W646 HydrophobicContact CE2-CZ2 3.9Å; F643-W646 AromaticContact CE2-NE1 3.7Å; F643-W646 AromaticContact CG-NE1 3.57Å; F643-C648 HydrophobicContact CD2-CB 3.9Å; F643-C648 HydrophobicContact CE2-CB 3.81Å; F643-A672 HydrophobicContact CD1-CB 3.63Å; F643-A672 HydrophobicContact CD2-CB 4.39Å; F643-A672 HydrophobicContact CE1-CB 3.42Å; F643-A672 VanDerWaalsContact CE1-CB 3.42Å; F643-A672 HydrophobicContact CE2-CB 4.22Å; F643-A672 HydrophobicContact CG-CB 4.12Å; F643-A672 HydrophobicContact CZ-CB 3.75Å | ||
| 644 | R | 84.4 | Confident | 92.3 | Very high | 222 Ų | 222 | 51.9 Ų | 51.9 | 84% | 0.838 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -93.5 | -28.6 | 179.7 | -60.5 | 173.9 | 169.8 | -173.8 | -4.9 | 111.9 | ||
| 645 | E | 82.1 | Confident | 92.7 | Very high | 136 Ų | 136 | 50.5 Ų | 50.5 | 64% | 0.636 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -90.4 | -18.2 | -165.7 | -55.7 | 72.6 | -160.7 | 0 | 0 | 112.4 | ||
| 646 | W | 85.2 | Confident | 92.8 | Very high | 35 Ų | 35 | 52.9 Ų | 52.9 | 13% | 0.133 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -159.7 | 153.6 | 177.8 | 78.4 | -60.4 | 0 | 0 | 0 | 112.8 | F643 C648 R668 A669 | F643-W646 AromaticContact CD2-CD1 3.88Å; F643-W646 AromaticContact CD2-CE2 3.73Å; F643-W646 HydrophobicContact CD2-CZ2 4.09Å; F643-W646 AromaticContact CD2-NE1 3.15Å; F643-W646 AromaticContact CE2-CZ2 3.9Å; F643-W646 HydrophobicContact CE2-CZ2 3.9Å; F643-W646 AromaticContact CE2-NE1 3.7Å; F643-W646 AromaticContact CG-NE1 3.57Å; W646-C648 HydrophobicContact CZ2-CB 4.32Å; W646-C648 PolarHBondContact O-N 3.18Å; W646-R668 HydrophobicContact CD2-CG 4.37Å; W646-R668 HydrophobicContact CH2-CB 4.15Å; W646-R668 HydrophobicContact CH2-CG 4.38Å; W646-R668 HydrophobicContact CZ2-CB 4.19Å; W646-R668 HydrophobicContact CZ2-CG 4.07Å; W646-A669 HydrophobicContact CH2-CB 4.29Å; W646-A669 HydrophobicContact CZ2-CB 4Å |
| 647 | T | 88.9 | Confident | 92.9 | Very high | 71 Ų | 71 | 52.2 Ų | 52.2 | 44% | 0.436 | 25% | 0.251 | S | S | . | . | trans | -84.5 | 110.3 | 173.5 | -42.9 | 0 | 0 | 0 | 0 | 110.6 | A597 | A597-T647 HydrophobicContact CB-CG2 3.93Š| ||
| 648 | C | 92.7 | Very high | 92.9 | Very high | 9 Ų | 9 | 58.1 Ų | 58.1 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 139.8 | 171.7 | -170.9 | 0 | 0 | 0 | 0 | 111.2 | A597 F643 W646 | A597-C648 HydrophobicContact CB-CB 4.36Å; F643-C648 HydrophobicContact CD2-CB 3.9Å; F643-C648 HydrophobicContact CE2-CB 3.81Å; W646-C648 HydrophobicContact CZ2-CB 4.32Å; W646-C648 PolarHBondContact O-N 3.18Å |
| 649 | P | 91.7 | Very high | 92.8 | Very high | 17 Ų | 17 | 60.3 Ų | 60.3 | 11% | 0.11 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 158.1 | 164.8 | -20.5 | 32.5 | 0 | 0 | 0 | 112.2 | R653 R665 | P649-R653 HydrophobicContact CB-CB 4.3Å; P649-R653 HydrophobicContact CB-CG 4.35Å; P649-R665 HydrophobicContact CG-CB 4.04Å; P649-R665 HydrophobicContact CG-CG 4.13Å |
| 650 | N | 93.2 | Very high | 92.4 | Very high | 37 Ų | 37 | 62.9 Ų | 62.9 | 20% | 0.198 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 157.9 | 171.1 | 66.2 | 37.7 | 0 | 0 | 0 | 112.5 | E598 R652 R653 L654 | E598-N650 HydrophobicContact CB-CB 4.46Å; E598-N650 VanDerWaalsContact CD-ND2 3.32Å; E598-N650 PolarHBondContact OE1-ND2 3.45Å; E598-N650 VanDerWaalsContact OE2-CB 3.23Å; E598-N650 WeakPolarHBondContact OE2-CB 3.34Å; E598-N650 PolarHBondContact OE2-ND2 3.37Å; N650-R652 PolarHBondContact O-N 2.87Å; N650-R653 PolarHBondContact O-N 3.42Å; N650-R653 VanDerWaalsContact O-N 3.12Å; N650-R653 WeakPolarHBondContact OD1-CB 3.33Å; N650-R653 PolarHBondContact OD1-N 3.43Å; N650-L654 PolarHBondContact O-N 2.72Å |
| 651 | L | 95.9 | Very high | 92.1 | Very high | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.7 | -33.3 | -174.3 | -165.9 | 67 | 0 | 0 | 0 | 112.3 | V535 L556 V592 L593 S595 L654 W655 | V535-L651 HydrophobicContact CG1-CD2 3.56Å; V535-L651 HydrophobicContact CG1-CG 4.15Å; L556-L651 HydrophobicContact CD1-CD2 4.29Å; L556-L651 HydrophobicContact CD2-CD2 3.93Å; V592-L651 HydrophobicContact CG1-CD1 4.29Å; L593-L651 HydrophobicContact CD2-CD1 4.24Å; L593-L651 HydrophobicContact CD2-CD2 3.98Å; L593-L651 VanDerWaalsContact O-CD2 3.3Å; L593-L651 WeakPolarHBondContact O-CD2 3.35Å; S595-L651 PolarHBondContact OG-N 3.38Å; L651-L654 PolarHBondContact O-N 3.01Å; L651-W655 HydrophobicContact CD1-CD2 4.07Å; L651-W655 HydrophobicContact CD1-CG 4.23Å; L651-W655 HydrophobicContact CD1-CZ2 3.97Å; L651-W655 VanDerWaalsContact CD1-NE1 3.32Å; L651-W655 HydrophobicContact CD2-CD2 4.43Å; L651-W655 HydrophobicContact CD2-CH2 4.16Å; L651-W655 HydrophobicContact CD2-CZ2 4.04Å; L651-W655 HydrophobicContact CD2-CZ3 4.39Å; L651-W655 HydrophobicContact CG-CD2 4.01Å; L651-W655 HydrophobicContact CG-CE3 4.46Å; L651-W655 HydrophobicContact CG-CG 4.32Å; L651-W655 HydrophobicContact CG-CZ2 4.28Å; L651-W655 WeakPolarHBondContact O-CB 3.28Å; L651-W655 PolarHBondContact O-N 2.83Å |
| 652 | R | 95.4 | Very high | 92 | Very high | 117 Ų | 117 | 64.1 Ų | 64.1 | 44% | 0.442 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59 | -51.4 | 174.3 | -177.8 | -174.1 | 178 | 74 | 11.6 | 111.2 | E534 V535 N650 L656 | E534-R652 IonicContact OE2-CZ 3.42Å; E534-R652 IonicContact OE2-NH1 3.76Å; E534-R652 PolarHBondContact OE2-NH1 2.96Å; E534-R652 IonicContact OE2-NH2 2.88Å; E534-R652 PolarHBondContact OE2-NH2 3.46Å; V535-R652 HydrophobicContact CG2-CB 4.07Å; N650-R652 PolarHBondContact O-N 2.87Å; R652-L656 HydrophobicContact CG-CD1 4.42Å; R652-L656 VanDerWaalsContact O-CB 3.29Å; R652-L656 WeakPolarHBondContact O-CB 3.46Å; R652-L656 PolarHBondContact O-N 2.69Å |
| 653 | R | 94.3 | Very high | 91.9 | Very high | 92 Ų | 92 | 71.5 Ų | 71.5 | 35% | 0.347 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67 | -39.8 | 176.1 | -178.5 | 170.5 | 175.4 | 174.2 | 0.6 | 111.1 | P649 N650 W655 G657 E661 D662 R665 | P649-R653 HydrophobicContact CB-CB 4.3Å; P649-R653 HydrophobicContact CB-CG 4.35Å; N650-R653 PolarHBondContact O-N 3.42Å; N650-R653 VanDerWaalsContact O-N 3.12Å; N650-R653 WeakPolarHBondContact OD1-CB 3.33Å; N650-R653 PolarHBondContact OD1-N 3.43Å; R653-W655 PolarHBondContact O-N 2.91Å; R653-G657 VanDerWaalsContact O-CA 3.22Å; R653-G657 WeakPolarHBondContact O-CA 3.37Å; R653-G657 PolarHBondContact O-N 2.99Å; R653-E661 IonicContact CZ-OE2 2.78Å; R653-E661 IonicContact NH2-OE2 3.65Å; R653-E661 PolarHBondContact NH2-OE2 3.13Å; R653-D662 IonicContact CZ-OD1 2.79Å; R653-D662 IonicContact NE-OD1 3.9Å; R653-D662 PolarHBondContact NE-OD1 3.32Å; R653-D662 IonicContact NH2-OD1 3.65Å; R653-D662 PolarHBondContact NH2-OD1 2.82Å; R653-R665 VanDerWaalsContact NH2-NE 3.15Å |
| 654 | L | 94.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.3 | -42.9 | -178.1 | -159.4 | 66.1 | 0 | 0 | 0 | 112.1 | V592 N650 L651 R666 A669 | V592-L654 HydrophobicContact CG1-CD2 3.45Å; V592-L654 VanDerWaalsContact CG1-CD2 3.45Å; N650-L654 PolarHBondContact O-N 2.72Å; L651-L654 PolarHBondContact O-N 3.01Å; L654-R666 HydrophobicContact CD1-CB 4.47Å; L654-R666 HydrophobicContact CD1-CG 3.89Å; L654-R666 HydrophobicContact CG-CG 4.28Å; L654-R666 VanDerWaalsContact O-CZ 3.24Å; L654-R666 PolarHBondContact O-NE 3.37Å; L654-R666 PolarHBondContact O-NH2 3.08Å; L654-A669 HydrophobicContact CD2-CB 4.44Å |
| 655 | W | 95.9 | Very high | 92.4 | Very high | 18 Ų | 18 | 67.4 Ų | 67.4 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -85.2 | -35.9 | -179.7 | -72 | 5.5 | 0 | 0 | 0 | 114.2 | V535 V538 A539 M548 I552 L556 L593 L651 R653 D764 V765 | V535-W655 HydrophobicContact CG1-CE3 3.96Å; V535-W655 HydrophobicContact CG1-CZ3 3.83Å; V538-W655 HydrophobicContact CG1-CE3 4.19Å; A539-W655 HydrophobicContact CB-CH2 4.29Å; A539-W655 HydrophobicContact CB-CZ3 4.06Å; M548-W655 HydrophobicContact SD-CH2 4.03Å; I552-W655 HydrophobicContact CG2-CH2 3.87Å; I552-W655 HydrophobicContact CG2-CZ2 4.11Å; L556-W655 HydrophobicContact CD1-CH2 3.87Å; L556-W655 HydrophobicContact CD1-CZ3 4.41Å; L593-W655 HydrophobicContact CD2-CZ2 4.06Å; L651-W655 HydrophobicContact CD1-CD2 4.07Å; L651-W655 HydrophobicContact CD1-CG 4.23Å; L651-W655 HydrophobicContact CD1-CZ2 3.97Å; L651-W655 VanDerWaalsContact CD1-NE1 3.32Å; L651-W655 HydrophobicContact CD2-CD2 4.43Å; L651-W655 HydrophobicContact CD2-CH2 4.16Å; L651-W655 HydrophobicContact CD2-CZ2 4.04Å; L651-W655 HydrophobicContact CD2-CZ3 4.39Å; L651-W655 HydrophobicContact CG-CD2 4.01Å; L651-W655 HydrophobicContact CG-CE3 4.46Å; L651-W655 HydrophobicContact CG-CG 4.32Å; L651-W655 HydrophobicContact CG-CZ2 4.28Å; L651-W655 WeakPolarHBondContact O-CB 3.28Å; L651-W655 PolarHBondContact O-N 2.83Å; R653-W655 PolarHBondContact O-N 2.91Å; W655-D764 PolarHBondContact NE1-O 3.47Å; W655-V765 PolarHBondContact NE1-O 3.15Å |
| 656 | L | 95 | Very high | 93.2 | Very high | 60 Ų | 60 | 62.9 Ų | 62.9 | 31% | 0.314 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -111.4 | -7.1 | -169.3 | -48.2 | 178.6 | 0 | 0 | 0 | 113.9 | E534 V538 R652 | E534-L656 HydrophobicContact CG-CD1 3.51Å; V538-L656 HydrophobicContact CG2-CD2 4.17Å; R652-L656 HydrophobicContact CG-CD1 4.42Å; R652-L656 VanDerWaalsContact O-CB 3.29Å; R652-L656 WeakPolarHBondContact O-CB 3.46Å; R652-L656 PolarHBondContact O-N 2.69Å |
| 657 | G | 93.8 | Very high | 93.7 | Very high | 15 Ų | 15 | 62.6 Ų | 62.6 | 16% | 0.155 | 31% | 0.307 | C | S | . | . | trans | -62.4 | 139.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R653 D662 R666 | R653-G657 VanDerWaalsContact O-CA 3.22Å; R653-G657 WeakPolarHBondContact O-CA 3.37Å; R653-G657 PolarHBondContact O-N 2.99Å; G657-D662 WeakPolarHBondContact CA-OD2 3.32Å; G657-R666 PolarHBondContact O-NH2 3.46Å | ||
| 658 | R | 93.8 | Very high | 94 | Very high | 204 Ų | 204 | 63.6 Ų | 63.6 | 77% | 0.77 | 30% | 0.303 | S | S | * | . | trans | -119.7 | 1.2 | -177.8 | -63.7 | -175.9 | -178.5 | -113.8 | 4.6 | 113.1 | D662 | R658-D662 PolarHBondContact N-OD2 3.39Å; R658-D662 VanDerWaalsContact N-OD2 3.15Å | ||
| 659 | A | 93.3 | Very high | 94.2 | Very high | 48 Ų | 48 | 63.2 Ų | 63.2 | 40% | 0.397 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -70.7 | 153.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E661 D662 | A659-E661 PolarHBondContact O-N 3.27Å; A659-D662 WeakPolarHBondContact CB-OD2 3.48Å; A659-D662 PolarHBondContact N-OD2 2.98Å; A659-D662 WeakPolarHBondContact O-CB 3.42Å; A659-D662 PolarHBondContact O-N 3.14Å |
| 660 | S | 89.1 | Confident | 94.5 | Very high | 108 Ų | 108 | 62.4 Ų | 62.4 | 76% | 0.755 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -54.7 | -42.4 | 173.8 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | D662 R663 | S660-D662 PolarHBondContact O-N 3.42Å; S660-R663 WeakPolarHBondContact O-CB 3.35Å; S660-R663 PolarHBondContact O-N 3.37Å |
| 661 | E | 92.2 | Very high | 94.6 | Very high | 93 Ų | 93 | 60.6 Ų | 60.6 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -53.8 | -34.7 | 172.6 | -61.3 | -173.6 | 167.5 | 0 | 0 | 113.7 | R653 A659 R663 S664 R665 | R653-E661 IonicContact CZ-OE2 2.78Å; R653-E661 IonicContact NH2-OE2 3.65Å; R653-E661 PolarHBondContact NH2-OE2 3.13Å; A659-E661 PolarHBondContact O-N 3.27Å; E661-R663 VanDerWaalsContact C-N 3.26Å; E661-R663 PolarHBondContact O-N 3.48Å; E661-S664 PolarHBondContact O-N 3.24Å; E661-S664 VanDerWaalsContact O-N 3.15Å; E661-R665 WeakPolarHBondContact O-CB 3.26Å; E661-R665 WeakPolarHBondContact O-CD 3.46Å; E661-R665 WeakPolarHBondContact O-CG 3.22Å; E661-R665 PolarHBondContact O-N 2.67Å; E661-R665 IonicContact OE1-NH2 2.78Å; E661-R665 IonicContact OE2-CZ 3.38Å; E661-R665 VanDerWaalsContact OE2-CZ 3.26Å; E661-R665 IonicContact OE2-NE 2.67Å; E661-R665 PolarHBondContact OE2-NE 3.13Å; E661-R665 IonicContact OE2-NH2 3.65Å; E661-R665 PolarHBondContact OE2-NH2 3.29Å |
| 662 | D | 93.7 | Very high | 94.7 | Very high | 7 Ų | 7 | 61.1 Ų | 61.1 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.2 | -32.9 | -173.4 | -61.4 | -31.8 | 0 | 0 | 0 | 110.3 | R653 G657 R658 A659 S660 R665 R666 | R653-D662 IonicContact CZ-OD1 2.79Å; R653-D662 IonicContact NE-OD1 3.9Å; R653-D662 PolarHBondContact NE-OD1 3.32Å; R653-D662 IonicContact NH2-OD1 3.65Å; R653-D662 PolarHBondContact NH2-OD1 2.82Å; G657-D662 WeakPolarHBondContact CA-OD2 3.32Å; R658-D662 PolarHBondContact N-OD2 3.39Å; R658-D662 VanDerWaalsContact N-OD2 3.15Å; A659-D662 WeakPolarHBondContact CB-OD2 3.48Å; A659-D662 PolarHBondContact N-OD2 2.98Å; A659-D662 WeakPolarHBondContact O-CB 3.42Å; A659-D662 PolarHBondContact O-N 3.14Å; S660-D662 PolarHBondContact O-N 3.42Å; D662-R665 PolarHBondContact O-N 2.78Å; D662-R666 VanDerWaalsContact O-CG 3.25Å; D662-R666 WeakPolarHBondContact O-CG 3.49Å; D662-R666 PolarHBondContact O-N 3.29Å |
| 663 | R | 92.2 | Very high | 94.7 | Very high | 189 Ų | 189 | 55.5 Ų | 55.5 | 71% | 0.713 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.1 | -51 | 170.2 | -173.2 | -176.7 | -71.7 | -176.6 | -2.3 | 110.8 | S660 E661 R665 R666 T667 | S660-R663 WeakPolarHBondContact O-CB 3.35Å; S660-R663 PolarHBondContact O-N 3.37Å; E661-R663 VanDerWaalsContact C-N 3.26Å; E661-R663 PolarHBondContact O-N 3.48Å; R663-R665 VanDerWaalsContact C-N 3.32Å; R663-R665 PolarHBondContact O-N 2.78Å; R663-R666 WeakPolarHBondContact O-CB 3.49Å; R663-R666 PolarHBondContact O-N 3.47Å; R663-T667 PolarHBondContact O-N 3.36Å; R663-T667 VanDerWaalsContact O-N 3.09Å; R663-T667 PolarHBondContact O-OG1 3.14Å |
| 664 | S | 93.3 | Very high | 94.9 | Very high | 81 Ų | 81 | 51.1 Ų | 51.1 | 57% | 0.566 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -62.8 | -37.5 | 178.7 | -49.5 | 0 | 0 | 0 | 0 | 112.5 | E661 T667 R668 | E661-S664 PolarHBondContact O-N 3.24Å; E661-S664 VanDerWaalsContact O-N 3.15Å; S664-T667 PolarHBondContact O-N 3.3Å; S664-R668 WeakPolarHBondContact O-CB 2.93Å; S664-R668 PolarHBondContact O-N 3.32Å |
| 665 | R | 95.2 | Very high | 94.8 | Very high | 73 Ų | 73 | 55.4 Ų | 55.4 | 28% | 0.275 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 175.9 | -68.4 | 162.1 | -175.8 | -86.7 | 6.1 | 112 | P649 R653 E661 D662 R663 A669 | P649-R665 HydrophobicContact CG-CB 4.04Å; P649-R665 HydrophobicContact CG-CG 4.13Å; R653-R665 VanDerWaalsContact NH2-NE 3.15Å; E661-R665 WeakPolarHBondContact O-CB 3.26Å; E661-R665 WeakPolarHBondContact O-CD 3.46Å; E661-R665 WeakPolarHBondContact O-CG 3.22Å; E661-R665 PolarHBondContact O-N 2.67Å; E661-R665 IonicContact OE1-NH2 2.78Å; E661-R665 IonicContact OE2-CZ 3.38Å; E661-R665 VanDerWaalsContact OE2-CZ 3.26Å; E661-R665 IonicContact OE2-NE 2.67Å; E661-R665 PolarHBondContact OE2-NE 3.13Å; E661-R665 IonicContact OE2-NH2 3.65Å; E661-R665 PolarHBondContact OE2-NH2 3.29Å; D662-R665 PolarHBondContact O-N 2.78Å; R663-R665 VanDerWaalsContact C-N 3.32Å; R663-R665 PolarHBondContact O-N 2.78Å; R665-A669 WeakPolarHBondContact O-CB 3.39Å; R665-A669 PolarHBondContact O-N 3.33Å |
| 666 | R | 96.8 | Very high | 94.8 | Very high | 41 Ų | 41 | 54.5 Ų | 54.5 | 16% | 0.155 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.6 | -50.9 | 172.1 | -67.7 | 172.5 | -179.9 | 122.7 | 16.6 | 111.5 | L654 G657 D662 R663 R668 A669 F670 C766 G767 P769 | L654-R666 HydrophobicContact CD1-CB 4.47Å; L654-R666 HydrophobicContact CD1-CG 3.89Å; L654-R666 HydrophobicContact CG-CG 4.28Å; L654-R666 VanDerWaalsContact O-CZ 3.24Å; L654-R666 PolarHBondContact O-NE 3.37Å; L654-R666 PolarHBondContact O-NH2 3.08Å; G657-R666 PolarHBondContact O-NH2 3.46Å; D662-R666 VanDerWaalsContact O-CG 3.25Å; D662-R666 WeakPolarHBondContact O-CG 3.49Å; D662-R666 PolarHBondContact O-N 3.29Å; R663-R666 WeakPolarHBondContact O-CB 3.49Å; R663-R666 PolarHBondContact O-N 3.47Å; R666-R668 VanDerWaalsContact C-N 3.33Å; R666-R668 PolarHBondContact O-N 2.79Å; R666-A669 PolarHBondContact O-N 2.73Å; R666-F670 PolarHBondContact O-N 3.06Å; R666-C766 WeakPolarHBondContact CB-O 3.39Å; R666-C766 WeakPolarHBondContact CG-O 3.31Å; R666-G767 WeakPolarHBondContact CD-O 3.26Å; R666-P769 HydrophobicContact CB-CB 3.82Å; R666-P769 HydrophobicContact CB-CG 4.23Å |
| 667 | T | 95.7 | Very high | 94.6 | Very high | 29 Ų | 29 | 55.1 Ų | 55.1 | 18% | 0.178 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59 | -45.2 | 179.6 | -52.9 | 0 | 0 | 0 | 0 | 111.1 | R663 S664 A669 F670 L671 L682 | R663-T667 PolarHBondContact O-N 3.36Å; R663-T667 VanDerWaalsContact O-N 3.09Å; R663-T667 PolarHBondContact O-OG1 3.14Å; S664-T667 PolarHBondContact O-N 3.3Å; T667-A669 PolarHBondContact O-N 3.28Å; T667-F670 PolarHBondContact O-N 3.39Å; T667-L671 HydrophobicContact CG2-CD1 4.27Å; T667-L671 WeakPolarHBondContact O-CG 3.42Å; T667-L671 PolarHBondContact O-N 2.86Å; T667-L682 HydrophobicContact CG2-CD2 3.96Å |
| 668 | R | 95.6 | Very high | 94.4 | Very high | 93 Ų | 93 | 54.6 Ų | 54.6 | 35% | 0.351 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.8 | -37.2 | 177.3 | -165.7 | 171.9 | -167.9 | -158.9 | -5.8 | 113.1 | W646 S664 R666 A672 D677 | W646-R668 HydrophobicContact CD2-CG 4.37Å; W646-R668 HydrophobicContact CH2-CB 4.15Å; W646-R668 HydrophobicContact CH2-CG 4.38Å; W646-R668 HydrophobicContact CZ2-CB 4.19Å; W646-R668 HydrophobicContact CZ2-CG 4.07Å; S664-R668 WeakPolarHBondContact O-CB 2.93Å; S664-R668 PolarHBondContact O-N 3.32Å; R666-R668 VanDerWaalsContact C-N 3.33Å; R666-R668 PolarHBondContact O-N 2.79Å; R668-A672 WeakPolarHBondContact O-CB 3.42Å; R668-A672 PolarHBondContact O-N 3.16Å; R668-D677 IonicContact CZ-OD2 2.69Å; R668-D677 VanDerWaalsContact CZ-OD2 3.29Å; R668-D677 IonicContact NE-OD1 3.9Å; R668-D677 IonicContact NE-OD2 3.14Å; R668-D677 PolarHBondContact NE-OD2 2.89Å; R668-D677 IonicContact NH2-OD2 2.74Å; R668-D677 PolarHBondContact NH2-OD2 2.73Å |
| 669 | A | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | W646 L654 R665 R666 T667 A672 C673 C766 | W646-A669 HydrophobicContact CH2-CB 4.29Å; W646-A669 HydrophobicContact CZ2-CB 4Å; L654-A669 HydrophobicContact CD2-CB 4.44Å; R665-A669 WeakPolarHBondContact O-CB 3.39Å; R665-A669 PolarHBondContact O-N 3.33Å; R666-A669 PolarHBondContact O-N 2.73Å; T667-A669 PolarHBondContact O-N 3.28Å; A669-A672 PolarHBondContact O-N 3.32Å; A669-C673 PolarHBondContact O-N 2.75Å; A669-C673 PolarHBondContact O-SG 3Å; A669-C766 HydrophobicContact CB-CB 4.2Å |
| 670 | F | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.8 | -49.4 | 175.8 | 169.8 | -90.5 | 0 | 0 | 0 | 111.4 | R666 T667 A672 C673 L674 L693 C696 I762 N763 C766 P769 L770 | R666-F670 PolarHBondContact O-N 3.06Å; T667-F670 PolarHBondContact O-N 3.39Å; F670-A672 PolarHBondContact O-N 3.37Å; F670-C673 PolarHBondContact O-N 3.11Å; F670-L674 HydrophobicContact CD2-CD1 4.39Å; F670-L674 HydrophobicContact CE1-CD1 3.9Å; F670-L674 HydrophobicContact CE2-CD1 3.77Å; F670-L674 HydrophobicContact CZ-CD1 3.48Å; F670-L674 VanDerWaalsContact CZ-CD1 3.48Å; F670-L674 PolarHBondContact O-N 3.03Å; F670-L693 HydrophobicContact CE2-CD1 4.48Å; F670-L693 HydrophobicContact CZ-CD1 4.34Å; F670-L693 HydrophobicContact CZ-CG 4.43Å; F670-C696 HydrophobicContact CE1-CB 4.49Å; F670-I762 HydrophobicContact CD2-CB 4.49Å; F670-I762 HydrophobicContact CD2-CG2 3.81Å; F670-I762 HydrophobicContact CE2-CG2 4.44Å; F670-I762 HydrophobicContact CG-CG2 4.45Å; F670-N763 HydrophobicContact CD2-CB 4.17Å; F670-N763 HydrophobicContact CE2-CB 4.1Å; F670-C766 HydrophobicContact CB-CB 4.1Å; F670-C766 PolarHBondContact N-SG 3Å; F670-C766 VanDerWaalsContact N-SG 3.37Å; F670-P769 HydrophobicContact CB-CG 3.71Å; F670-P769 HydrophobicContact CG-CG 4.21Å; F670-L770 HydrophobicContact CD1-CD1 4.43Å; F670-L770 HydrophobicContact CE1-CD1 3.7Å; F670-L770 HydrophobicContact CE1-CG 4.39Å; F670-L770 HydrophobicContact CE2-CD1 4.06Å; F670-L770 HydrophobicContact CZ-CD1 3.49Å; F670-L770 VanDerWaalsContact CZ-CD1 3.49Å; F670-L770 HydrophobicContact CZ-CG 4.39Å |
| 671 | L | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.4 | -41.8 | 178.1 | -68.4 | -178 | 0 | 0 | 0 | 112.2 | T667 L674 R675 S676 D677 L682 C696 | T667-L671 HydrophobicContact CG2-CD1 4.27Å; T667-L671 WeakPolarHBondContact O-CG 3.42Å; T667-L671 PolarHBondContact O-N 2.86Å; L671-L674 CarbonylContact O-C 3.56Å; L671-L674 PolarHBondContact O-N 2.85Å; L671-R675 PolarHBondContact O-N 2.98Å; L671-S676 PolarHBondContact O-N 3.04Å; L671-D677 HydrophobicContact CB-CB 4.36Å; L671-L682 HydrophobicContact CD1-CD1 3.78Å; L671-L682 HydrophobicContact CD1-CD2 3.92Å; L671-L682 HydrophobicContact CD1-CG 3.83Å; L671-C696 VanDerWaalsContact CD2-SG 3.56Å |
| 672 | A | 96.1 | Very high | 94.7 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F643 R668 A669 F670 L674 R675 | F643-A672 HydrophobicContact CD1-CB 3.63Å; F643-A672 HydrophobicContact CD2-CB 4.39Å; F643-A672 HydrophobicContact CE1-CB 3.42Å; F643-A672 VanDerWaalsContact CE1-CB 3.42Å; F643-A672 HydrophobicContact CE2-CB 4.22Å; F643-A672 HydrophobicContact CG-CB 4.12Å; F643-A672 HydrophobicContact CZ-CB 3.75Å; R668-A672 WeakPolarHBondContact O-CB 3.42Å; R668-A672 PolarHBondContact O-N 3.16Å; A669-A672 PolarHBondContact O-N 3.32Å; F670-A672 PolarHBondContact O-N 3.37Å; A672-L674 VanDerWaalsContact C-N 3.27Å; A672-L674 PolarHBondContact O-N 2.87Å; A672-R675 PolarHBondContact O-N 2.83Å; A672-R675 VanDerWaalsContact O-N 3.16Å |
| 673 | C | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -38.2 | 172.6 | -78.7 | 0 | 0 | 0 | 0 | 112.4 | A585 A669 F670 I762 | A585-C673 WeakPolarHBondContact CA-O 3.44Å; A585-C673 WeakPolarHBondContact CB-O 3.37Å; A669-C673 PolarHBondContact O-N 2.75Å; A669-C673 PolarHBondContact O-SG 3Å; F670-C673 PolarHBondContact O-N 3.11Å; C673-I762 HydrophobicContact CB-CD1 4.04Å; C673-I762 HydrophobicContact CB-CG1 4.28Å; C673-I762 HydrophobicContact CB-CG2 3.52Å |
| 674 | L | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 16.3 | 178.1 | -66.3 | 173.7 | 0 | 0 | 0 | 114 | A585 F670 L671 A672 S676 C696 A759 I762 | A585-L674 HydrophobicContact CB-CD2 4.38Å; F670-L674 HydrophobicContact CD2-CD1 4.39Å; F670-L674 HydrophobicContact CE1-CD1 3.9Å; F670-L674 HydrophobicContact CE2-CD1 3.77Å; F670-L674 HydrophobicContact CZ-CD1 3.48Å; F670-L674 VanDerWaalsContact CZ-CD1 3.48Å; F670-L674 PolarHBondContact O-N 3.03Å; L671-L674 CarbonylContact O-C 3.56Å; L671-L674 PolarHBondContact O-N 2.85Å; A672-L674 VanDerWaalsContact C-N 3.27Å; A672-L674 PolarHBondContact O-N 2.87Å; L674-S676 PolarHBondContact O-N 2.93Å; L674-S676 VanDerWaalsContact O-N 3.08Å; L674-S676 PolarHBondContact O-OG 3Å; L674-C696 HydrophobicContact CB-CB 4.3Å; L674-C696 HydrophobicContact CD1-CB 3.83Å; L674-A759 HydrophobicContact CD1-CB 3.91Å; L674-I762 HydrophobicContact CD2-CD1 3.67Å; L674-I762 HydrophobicContact CG-CD1 4.02Å |
| 675 | R | 94.1 | Very high | 95 | Very high | 91 Ų | 91 | 40.4 Ų | 40.4 | 34% | 0.343 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 37.5 | -179.4 | -58 | -179.1 | 175 | 166.5 | -0.4 | 114 | L671 A672 R699 Y700 Q703 | L671-R675 PolarHBondContact O-N 2.98Å; A672-R675 PolarHBondContact O-N 2.83Å; A672-R675 VanDerWaalsContact O-N 3.16Å; R675-R699 PolarHBondContact O-NE 2.9Å; R675-Y700 HydrophobicContact CG-CE2 4.49Å; R675-Q703 PolarHBondContact O-NE2 3.11Å |
| 676 | S | 95.3 | Very high | 95 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -121.9 | 16.6 | -168.2 | -69.3 | 0 | 0 | 0 | 0 | 112.9 | L671 L674 C678 C696 | L671-S676 PolarHBondContact O-N 3.04Å; L674-S676 PolarHBondContact O-N 2.93Å; L674-S676 VanDerWaalsContact O-N 3.08Å; L674-S676 PolarHBondContact O-OG 3Å; S676-C678 VanDerWaalsContact C-N 3.26Å; S676-C678 PolarHBondContact O-N 2.7Å; S676-C696 VanDerWaalsContact CB-SG 3.6Å | ||
| 677 | D | 89.9 | Confident | 95 | Very high | 73 Ų | 73 | 37.6 Ų | 37.6 | 39% | 0.39 | 21% | 0.211 | S | C | . | . | trans | -70.7 | 81.8 | 174.4 | -161.4 | 21.3 | 0 | 0 | 0 | 109.1 | R668 L671 | R668-D677 IonicContact CZ-OD2 2.69Å; R668-D677 VanDerWaalsContact CZ-OD2 3.29Å; R668-D677 IonicContact NE-OD1 3.9Å; R668-D677 IonicContact NE-OD2 3.14Å; R668-D677 PolarHBondContact NE-OD2 2.89Å; R668-D677 IonicContact NH2-OD2 2.74Å; R668-D677 PolarHBondContact NH2-OD2 2.73Å; L671-D677 HydrophobicContact CB-CB 4.36Å | ||
| 678 | C | 89.8 | Confident | 95.1 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | trans | -145.3 | 124.9 | -166.1 | 161.4 | 0 | 0 | 0 | 0 | 109.3 | S676 A680 L681 E823 | S676-C678 VanDerWaalsContact C-N 3.26Å; S676-C678 PolarHBondContact O-N 2.7Å; C678-A680 VanDerWaalsContact C-N 3.32Å; C678-A680 PolarHBondContact O-N 2.76Å; C678-L681 HydrophobicContact CB-CG 4.46Å; C678-L681 PolarHBondContact O-N 2.82Å; C678-E823 PolarHBondContact SG-OE1 2.85Å | ||
| 679 | P | 91.9 | Very high | 95 | Very high | 103 Ų | 103 | 39.3 Ų | 39.3 | 67% | 0.669 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -59 | -36.8 | -176.8 | -27 | 35.8 | 0 | 0 | 0 | 114.5 | L681 L682 N683 | P679-L681 PolarHBondContact O-N 2.91Å; P679-L682 PolarHBondContact O-N 2.82Å; P679-L682 VanDerWaalsContact O-N 3.11Å; P679-N683 PolarHBondContact O-N 2.87Å |
| 680 | A | 94.6 | Very high | 94.9 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 5% | 0.05 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -62.9 | -37.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | C678 L682 N683 Q686 A820 E823 | C678-A680 VanDerWaalsContact C-N 3.32Å; C678-A680 PolarHBondContact O-N 2.76Å; A680-L682 VanDerWaalsContact C-N 3.25Å; A680-L682 PolarHBondContact O-N 2.91Å; A680-N683 WeakPolarHBondContact O-CB 3.41Å; A680-N683 PolarHBondContact O-N 3.09Å; A680-Q686 VanDerWaalsContact CB-OE1 3.22Å; A680-A820 HydrophobicContact CB-CB 3.65Å; A680-E823 VanDerWaalsContact CB-OE2 3.27Å; A680-E823 WeakPolarHBondContact CB-OE2 3.22Å |
| 681 | L | 95.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -66.9 | -27 | 174.6 | -71.8 | -174.4 | 0 | 0 | 0 | 112.8 | C678 P679 N683 V687 L692 C695 A820 I821 | C678-L681 HydrophobicContact CB-CG 4.46Å; C678-L681 PolarHBondContact O-N 2.82Å; P679-L681 PolarHBondContact O-N 2.91Å; L681-N683 VanDerWaalsContact C-N 3.34Å; L681-V687 HydrophobicContact CD2-CG2 3.97Å; L681-L692 HydrophobicContact CB-CD1 4.1Å; L681-L692 WeakPolarHBondContact O-CD1 3.42Å; L681-C695 HydrophobicContact CD2-CB 3.85Å; L681-A820 HydrophobicContact CD2-CB 4.03Å; L681-I821 HydrophobicContact CD2-CG1 4.31Å |
| 682 | L | 93.9 | Very high | 95 | Very high | 84 Ų | 84 | 43.3 Ų | 43.3 | 44% | 0.44 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -86.5 | -1.5 | 176.9 | -75.1 | 175.8 | 0 | 0 | 0 | 113.7 | T667 L671 P679 A680 P684 L692 | T667-L682 HydrophobicContact CG2-CD2 3.96Å; L671-L682 HydrophobicContact CD1-CD1 3.78Å; L671-L682 HydrophobicContact CD1-CD2 3.92Å; L671-L682 HydrophobicContact CD1-CG 3.83Å; P679-L682 PolarHBondContact O-N 2.82Å; P679-L682 VanDerWaalsContact O-N 3.11Å; A680-L682 VanDerWaalsContact C-N 3.25Å; A680-L682 PolarHBondContact O-N 2.91Å; L682-P684 WeakPolarHBondContact O-CD 3.43Å; L682-L692 HydrophobicContact CD2-CD2 4.45Å |
| 683 | N | 95.7 | Very high | 95 | Very high | 61 Ų | 61 | 42.8 Ų | 42.8 | 33% | 0.326 | 24% | 0.238 | S | C | . | . | trans | -91.5 | 111.1 | -179.1 | -177.5 | -6.3 | 0 | 0 | 0 | 111.3 | P679 A680 L681 A685 Q686 V687 | P679-N683 PolarHBondContact O-N 2.87Å; A680-N683 WeakPolarHBondContact O-CB 3.41Å; A680-N683 PolarHBondContact O-N 3.09Å; L681-N683 VanDerWaalsContact C-N 3.34Å; N683-A685 PolarHBondContact O-N 3.43Å; N683-A685 VanDerWaalsContact O-N 3.1Å; N683-A685 WeakPolarHBondContact OD1-CB 3.43Å; N683-A685 PolarHBondContact OD1-N 3.24Å; N683-Q686 HydrophobicContact CB-CB 4.42Å; N683-Q686 HydrophobicContact CB-CG 4.46Å; N683-Q686 PolarHBondContact O-N 3.18Å; N683-V687 PolarHBondContact O-N 3.28Å | ||
| 684 | P | 94.5 | Very high | 95.1 | Very high | 101 Ų | 101 | 42.8 Ų | 42.8 | 66% | 0.656 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.3 | -178.5 | -23.6 | 35.7 | 0 | 0 | 0 | 114.5 | L682 Q686 V687 | L682-P684 WeakPolarHBondContact O-CD 3.43Å; P684-Q686 PolarHBondContact O-N 3.13Å; P684-V687 WeakPolarHBondContact CA-O 3.49Å |
| 685 | A | 94.8 | Very high | 95.2 | Very high | 74 Ų | 74 | 42.8 Ų | 42.8 | 61% | 0.612 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -7.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | N683 | N683-A685 PolarHBondContact O-N 3.43Å; N683-A685 VanDerWaalsContact O-N 3.1Å; N683-A685 WeakPolarHBondContact OD1-CB 3.43Å; N683-A685 PolarHBondContact OD1-N 3.24Å |
| 686 | Q | 95.4 | Very high | 95.4 | Very high | 52 Ų | 52 | 38.4 Ų | 38.4 | 24% | 0.243 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | -39.6 | 174.8 | -63.8 | -177.1 | 7.7 | 0 | 0 | 112.6 | A680 N683 P684 K816 M817 A820 | A680-Q686 VanDerWaalsContact CB-OE1 3.22Å; N683-Q686 HydrophobicContact CB-CB 4.42Å; N683-Q686 HydrophobicContact CB-CG 4.46Å; N683-Q686 PolarHBondContact O-N 3.18Å; P684-Q686 PolarHBondContact O-N 3.13Å; Q686-K816 HydrophobicContact CB-CB 4.39Å; Q686-M817 WeakPolarHBondContact O-CG 3.03Å; Q686-M817 PolarHBondContact O-N 2.82Å; Q686-A820 HydrophobicContact CB-CB 4.48Å |
| 687 | V | 97.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -129.7 | 108.4 | 178.2 | 178.1 | 0 | 0 | 0 | 0 | 109.4 | L681 N683 P684 L692 C695 M817 A820 | L681-V687 HydrophobicContact CD2-CG2 3.97Å; N683-V687 PolarHBondContact O-N 3.28Å; P684-V687 WeakPolarHBondContact CA-O 3.49Å; V687-L692 HydrophobicContact CG1-CB 4.43Å; V687-L692 HydrophobicContact CG1-CD1 4.49Å; V687-C695 HydrophobicContact CG1-CB 4.05Å; V687-M817 HydrophobicContact CG2-CG 4.33Å; V687-A820 HydrophobicContact CG2-CB 3.69Å |
| 688 | P | 95.9 | Very high | 96 | Very high | 43 Ų | 43 | 35 Ų | 35 | 28% | 0.279 | 20% | 0.203 | S | C | . | . | trans | -56.2 | 141.1 | 173.3 | -25.8 | 34.9 | 0 | 0 | 0 | 111.9 | H690 L691 L692 | P688-H690 PolarHBondContact O-N 3.28Å; P688-H690 VanDerWaalsContact O-N 3.1Å; P688-L691 HydrophobicContact CB-CD1 4.33Å; P688-L691 HydrophobicContact CB-CG 4.26Å; P688-L691 HydrophobicContact CG-CD1 4.07Å; P688-L691 WeakPolarHBondContact O-CA 3.05Å; P688-L691 PolarHBondContact O-N 2.93Å; P688-L692 PolarHBondContact O-N 2.84Å | ||
| 689 | Q | 94.3 | Very high | 96.3 | Very high | 116 Ų | 116 | 35.7 Ų | 35.7 | 54% | 0.542 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -29.5 | -171.2 | -163.7 | -170.8 | 3 | 0 | 0 | 114 | L691 | Q689-L691 VanDerWaalsContact C-N 3.3Š|
| 690 | H | 95.5 | Very high | 96.6 | Very high | 73 Ų | 73 | 31.1 Ų | 31.1 | 34% | 0.338 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -13.8 | 176.2 | 63.9 | -93 | 0 | 0 | 0 | 113.6 | P688 H774 | P688-H690 PolarHBondContact O-N 3.28Å; P688-H690 VanDerWaalsContact O-N 3.1Å; H690-H774 HydrophobicContact CB-CB 4.48Å |
| 691 | L | 97.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -8.7 | 176.5 | -60 | -173.4 | 0 | 0 | 0 | 113 | P688 Q689 L693 M694 C695 A722 V723 F780 M817 | P688-L691 HydrophobicContact CB-CD1 4.33Å; P688-L691 HydrophobicContact CB-CG 4.26Å; P688-L691 HydrophobicContact CG-CD1 4.07Å; P688-L691 WeakPolarHBondContact O-CA 3.05Å; P688-L691 PolarHBondContact O-N 2.93Å; Q689-L691 VanDerWaalsContact C-N 3.3Å; L691-L693 VanDerWaalsContact C-N 3.33Å; L691-L693 PolarHBondContact O-N 3.16Å; L691-M694 HydrophobicContact CB-CE 4.08Å; L691-M694 HydrophobicContact CD1-CE 4.32Å; L691-M694 HydrophobicContact CD2-CE 4.08Å; L691-M694 HydrophobicContact CG-CE 4.38Å; L691-M694 WeakPolarHBondContact O-CB 3.35Å; L691-M694 PolarHBondContact O-N 2.95Å; L691-M694 VanDerWaalsContact O-N 3.1Å; L691-C695 PolarHBondContact O-N 3.46Å; L691-C695 PolarHBondContact O-SG 2.89Å; L691-C695 VanDerWaalsContact O-SG 3.38Å; L691-A722 HydrophobicContact CD2-CB 4.28Å; L691-V723 HydrophobicContact CD1-CG1 4.15Å; L691-F780 HydrophobicContact CD2-CB 3.51Å; L691-M817 HydrophobicContact CB-SD 4.4Å; L691-M817 HydrophobicContact CD1-CE 4.16Å; L691-M817 HydrophobicContact CD1-SD 3.49Å; L691-M817 WeakPolarHBondContact CD1-SD 3.2Å |
| 692 | L | 97.9 | Very high | 96.7 | Very high | 10 Ų | 10 | 31.9 Ų | 31.9 | 5% | 0.052 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.9 | -43.1 | -175.3 | 178.1 | 53.7 | 0 | 0 | 0 | 113.2 | L681 L682 V687 P688 C695 C696 L770 | L681-L692 HydrophobicContact CB-CD1 4.1Å; L681-L692 WeakPolarHBondContact O-CD1 3.42Å; L682-L692 HydrophobicContact CD2-CD2 4.45Å; V687-L692 HydrophobicContact CG1-CB 4.43Å; V687-L692 HydrophobicContact CG1-CD1 4.49Å; P688-L692 PolarHBondContact O-N 2.84Å; L692-C695 PolarHBondContact O-N 3.43Å; L692-C696 PolarHBondContact O-N 2.87Å; L692-C696 PolarHBondContact O-SG 2.84Å; L692-L770 HydrophobicContact CD2-CD2 3.91Å |
| 693 | L | 98 | Very high | 96.7 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 178 | -176.3 | 143.9 | 0 | 0 | 0 | 111.7 | F670 L691 C696 V697 V756 A759 L770 C775 F780 | F670-L693 HydrophobicContact CE2-CD1 4.48Å; F670-L693 HydrophobicContact CZ-CD1 4.34Å; F670-L693 HydrophobicContact CZ-CG 4.43Å; L691-L693 VanDerWaalsContact C-N 3.33Å; L691-L693 PolarHBondContact O-N 3.16Å; L693-C696 PolarHBondContact O-N 3.06Å; L693-V697 HydrophobicContact CD2-CG2 4.33Å; L693-V697 WeakPolarHBondContact O-CG2 3.43Å; L693-V697 PolarHBondContact O-N 2.7Å; L693-V756 HydrophobicContact CD2-CB 4.45Å; L693-V756 HydrophobicContact CD2-CG1 4.02Å; L693-V756 HydrophobicContact CD2-CG2 4.23Å; L693-A759 HydrophobicContact CD1-CB 3.74Å; L693-A759 HydrophobicContact CD2-CB 3.99Å; L693-A759 HydrophobicContact CG-CB 3.75Å; L693-L770 HydrophobicContact CB-CD1 4Å; L693-L770 HydrophobicContact CD1-CD1 4.39Å; L693-C775 HydrophobicContact CD1-CB 3.78Å; L693-F780 HydrophobicContact CD2-CE1 4.39Å; L693-F780 HydrophobicContact CD2-CZ 3.99Å |
| 694 | M | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.4 | -48.6 | 174.5 | 174.7 | -171.1 | 69.7 | 0 | 0 | 110.9 | L691 C696 V697 L698 L719 A722 F752 F780 | L691-M694 HydrophobicContact CB-CE 4.08Å; L691-M694 HydrophobicContact CD1-CE 4.32Å; L691-M694 HydrophobicContact CD2-CE 4.08Å; L691-M694 HydrophobicContact CG-CE 4.38Å; L691-M694 WeakPolarHBondContact O-CB 3.35Å; L691-M694 PolarHBondContact O-N 2.95Å; L691-M694 VanDerWaalsContact O-N 3.1Å; M694-C696 VanDerWaalsContact C-N 3.32Å; M694-C696 PolarHBondContact O-N 3.18Å; M694-V697 PolarHBondContact O-N 3.11Å; M694-V697 VanDerWaalsContact O-N 3.14Å; M694-L698 HydrophobicContact CG-CD1 3.7Å; M694-L698 HydrophobicContact CG-CG 4.22Å; M694-L698 WeakPolarHBondContact O-CG 3.22Å; M694-L698 PolarHBondContact O-N 3.5Å; M694-L698 HydrophobicContact SD-CD1 4.21Å; M694-L719 HydrophobicContact CE-CD2 3.9Å; M694-A722 HydrophobicContact CE-CB 3.55Å; M694-A722 HydrophobicContact SD-CB 3.57Å; M694-A722 VanDerWaalsContact SD-CB 3.57Å; M694-F752 HydrophobicContact CB-CZ 4.37Å; M694-F752 HydrophobicContact CG-CE2 3.88Å; M694-F752 HydrophobicContact CG-CZ 3.79Å; M694-F780 HydrophobicContact CB-CB 4.43Å; M694-F780 HydrophobicContact CB-CD2 3.8Å; M694-F780 HydrophobicContact CB-CE2 4.18Å; M694-F780 HydrophobicContact CB-CG 4.04Å; M694-F780 HydrophobicContact CG-CD2 4.14Å; M694-F780 HydrophobicContact SD-CB 4.1Å; M694-F780 HydrophobicContact SD-CD2 4.19Å; M694-F780 HydrophobicContact SD-CG 4.48Å |
| 695 | C | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.4 | -37 | -179.8 | -64.9 | 0 | 0 | 0 | 0 | 112.3 | L681 V687 L691 L692 R699 I821 | L681-C695 HydrophobicContact CD2-CB 3.85Å; V687-C695 HydrophobicContact CG1-CB 4.05Å; L691-C695 PolarHBondContact O-N 3.46Å; L691-C695 PolarHBondContact O-SG 2.89Å; L691-C695 VanDerWaalsContact O-SG 3.38Å; L692-C695 PolarHBondContact O-N 3.43Å; C695-R699 WeakPolarHBondContact O-CB 3.43Å; C695-R699 PolarHBondContact O-N 3.1Å; C695-I821 HydrophobicContact CB-CD1 4.05Å; C695-I821 HydrophobicContact CB-CG1 3.96Å |
| 696 | C | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.8 | -41.3 | 172 | -70.5 | 0 | 0 | 0 | 0 | 112.9 | F670 L671 L674 S676 L692 L693 M694 Y700 | F670-C696 HydrophobicContact CE1-CB 4.49Å; L671-C696 VanDerWaalsContact CD2-SG 3.56Å; L674-C696 HydrophobicContact CB-CB 4.3Å; L674-C696 HydrophobicContact CD1-CB 3.83Å; S676-C696 VanDerWaalsContact CB-SG 3.6Å; L692-C696 PolarHBondContact O-N 2.87Å; L692-C696 PolarHBondContact O-SG 2.84Å; L693-C696 PolarHBondContact O-N 3.06Å; M694-C696 VanDerWaalsContact C-N 3.32Å; M694-C696 PolarHBondContact O-N 3.18Å; C696-Y700 WeakPolarHBondContact O-CB 3.45Å; C696-Y700 PolarHBondContact O-N 2.68Å |
| 697 | V | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.8 | -48.1 | 176.9 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | L693 M694 R699 Y700 M701 F752 G755 V756 A759 | L693-V697 HydrophobicContact CD2-CG2 4.33Å; L693-V697 WeakPolarHBondContact O-CG2 3.43Å; L693-V697 PolarHBondContact O-N 2.7Å; M694-V697 PolarHBondContact O-N 3.11Å; M694-V697 VanDerWaalsContact O-N 3.14Å; V697-R699 VanDerWaalsContact C-N 3.34Å; V697-R699 PolarHBondContact O-N 3.03Å; V697-Y700 PolarHBondContact O-N 2.89Å; V697-Y700 VanDerWaalsContact O-N 3.16Å; V697-M701 HydrophobicContact CG1-SD 4.12Å; V697-M701 WeakPolarHBondContact O-CG 3.35Å; V697-M701 PolarHBondContact O-N 3.16Å; V697-F752 HydrophobicContact CB-CD2 4.44Å; V697-F752 HydrophobicContact CB-CE2 4.18Å; V697-F752 HydrophobicContact CG1-CD2 3.67Å; V697-F752 HydrophobicContact CG1-CE2 3.89Å; V697-G755 WeakPolarHBondContact CG2-O 3.33Å; V697-V756 HydrophobicContact CG2-CG2 4.47Å; V697-A759 HydrophobicContact CG2-CB 3.77Å |
| 698 | L | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61 | -41.9 | 176.6 | -67.8 | 172.4 | 0 | 0 | 0 | 111.4 | M694 M701 M702 L710 L715 F718 L719 F752 I821 | M694-L698 HydrophobicContact CG-CD1 3.7Å; M694-L698 HydrophobicContact CG-CG 4.22Å; M694-L698 WeakPolarHBondContact O-CG 3.22Å; M694-L698 PolarHBondContact O-N 3.5Å; M694-L698 HydrophobicContact SD-CD1 4.21Å; L698-M701 PolarHBondContact O-N 3.07Å; L698-M702 WeakPolarHBondContact O-CG 3.48Å; L698-M702 PolarHBondContact O-N 3.43Å; L698-L710 HydrophobicContact CD2-CD1 3.91Å; L698-L715 HydrophobicContact CB-CD1 4.02Å; L698-L715 HydrophobicContact CD1-CD1 3.95Å; L698-L715 HydrophobicContact CD2-CD1 4.29Å; L698-L715 HydrophobicContact CG-CD1 4.31Å; L698-F718 HydrophobicContact CD1-CB 4.09Å; L698-F718 HydrophobicContact CD2-CB 4.05Å; L698-F718 HydrophobicContact CD2-CD1 4.24Å; L698-F718 HydrophobicContact CD2-CD2 3.96Å; L698-F718 HydrophobicContact CD2-CE2 4.48Å; L698-F718 HydrophobicContact CD2-CG 3.85Å; L698-L719 HydrophobicContact CD1-CD2 3.91Å; L698-L719 HydrophobicContact CD1-CG 4.45Å; L698-F752 HydrophobicContact CD2-CD2 3.86Å; L698-F752 HydrophobicContact CD2-CE2 4.06Å; L698-F752 HydrophobicContact CG-CD2 4.32Å; L698-F752 HydrophobicContact CG-CE2 4.07Å; L698-I821 HydrophobicContact CB-CD1 4.09Å; L698-I821 HydrophobicContact CD1-CD1 4.18Å |
| 699 | R | 97.5 | Very high | 94.4 | Very high | 20 Ų | 20 | 33.4 Ų | 33.4 | 8% | 0.075 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60 | -44 | 172.9 | 176.6 | 171.4 | -179.3 | 95.2 | -7 | 112.1 | R675 C695 V697 M702 Q703 A820 I821 E823 I825 | R675-R699 PolarHBondContact O-NE 2.9Å; C695-R699 WeakPolarHBondContact O-CB 3.43Å; C695-R699 PolarHBondContact O-N 3.1Å; V697-R699 VanDerWaalsContact C-N 3.34Å; V697-R699 PolarHBondContact O-N 3.03Å; R699-M702 PolarHBondContact O-N 3.44Å; R699-Q703 VanDerWaalsContact NE-NE2 3.18Å; R699-Q703 WeakPolarHBondContact O-CG 3.36Å; R699-Q703 PolarHBondContact O-N 2.73Å; R699-Q703 VanDerWaalsContact O-N 3.15Å; R699-A820 PolarHBondContact NH1-O 3.26Å; R699-I821 HydrophobicContact CB-CG2 4.21Å; R699-I821 PolarHBondContact NH1-O 2.94Å; R699-E823 VanDerWaalsContact CZ-O 3.25Å; R699-E823 PolarHBondContact NH1-O 2.84Å; R699-E823 PolarHBondContact NH2-O 3.01Å; R699-I825 HydrophobicContact CG-CD1 4.27Å |
| 700 | Y | 97.8 | Very high | 94.5 | Very high | 7 Ų | 7 | 28 Ų | 28 | 3% | 0.027 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 177.8 | -173.1 | -82 | 0 | 0 | 0 | 111.6 | L581 F582 A585 R675 C696 V697 Q703 | L581-Y700 HydrophobicContact CD1-CD1 4.34Å; L581-Y700 HydrophobicContact CD1-CE1 3.92Å; L581-Y700 HydrophobicContact CG-CE1 4.14Å; L581-Y700 VanDerWaalsContact O-CE1 3.26Å; L581-Y700 WeakPolarHBondContact O-CE1 3.37Å; L581-Y700 PolarHBondContact O-OH 2.95Å; F582-Y700 AromaticContact CD1-CD1 3.62Å; F582-Y700 HydrophobicContact CD1-CD1 3.62Å; F582-Y700 AromaticContact CD1-CE1 3.49Å; F582-Y700 HydrophobicContact CD1-CE1 3.49Å; F582-Y700 VanDerWaalsContact CD1-CE1 3.49Å; F582-Y700 AromaticContact CE1-CD1 3.48Å; F582-Y700 HydrophobicContact CE1-CD1 3.48Å; F582-Y700 VanDerWaalsContact CE1-CD1 3.48Å; F582-Y700 AromaticContact CE1-CE1 3.83Å; F582-Y700 HydrophobicContact CE1-CE1 3.83Å; F582-Y700 HydrophobicContact CE1-CG 4.38Å; F582-Y700 HydrophobicContact CG-CE1 4.36Å; A585-Y700 HydrophobicContact CB-CE2 3.82Å; A585-Y700 PolarHBondContact N-OH 3.17Å; R675-Y700 HydrophobicContact CG-CE2 4.49Å; C696-Y700 WeakPolarHBondContact O-CB 3.45Å; C696-Y700 PolarHBondContact O-N 2.68Å; V697-Y700 PolarHBondContact O-N 2.89Å; V697-Y700 VanDerWaalsContact O-N 3.16Å; Y700-Q703 PolarHBondContact O-N 3.02Å |
| 701 | M | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.2 | -39 | 173.7 | -66.9 | 169.7 | 73.3 | 0 | 0 | 112.4 | L581 F582 V697 L698 Q703 W704 I709 L710 L751 F752 | L581-M701 HydrophobicContact CD2-CG 4.37Å; F582-M701 HydrophobicContact CZ-CG 4.2Å; V697-M701 HydrophobicContact CG1-SD 4.12Å; V697-M701 WeakPolarHBondContact O-CG 3.35Å; V697-M701 PolarHBondContact O-N 3.16Å; L698-M701 PolarHBondContact O-N 3.07Å; M701-Q703 VanDerWaalsContact C-N 3.25Å; M701-Q703 PolarHBondContact O-N 3.01Å; M701-W704 PolarHBondContact O-N 2.94Å; M701-I709 HydrophobicContact CB-CG2 4.4Å; M701-I709 HydrophobicContact CE-CG2 3.82Å; M701-L710 HydrophobicContact CB-CD1 4.03Å; M701-L710 HydrophobicContact CE-CD1 4.16Å; M701-L710 HydrophobicContact CE-CD2 4.29Å; M701-L710 HydrophobicContact CE-CG 4.21Å; M701-L710 HydrophobicContact SD-CD1 4.42Å; M701-L751 HydrophobicContact CE-CB 4.41Å; M701-L751 HydrophobicContact CE-CD2 4.27Å; M701-L751 HydrophobicContact CE-CG 4.2Å; M701-F752 HydrophobicContact CE-CB 4.28Å; M701-F752 HydrophobicContact SD-CB 4.12Å; M701-F752 HydrophobicContact SD-CD2 4.25Å |
| 702 | M | 95.2 | Very high | 94.2 | Very high | 24 Ų | 24 | 33.5 Ų | 33.5 | 12% | 0.118 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.1 | -20.2 | 175.2 | -74.2 | -58.8 | -47.3 | 0 | 0 | 114.1 | L698 R699 L710 L715 I821 L822 I825 L827 | L698-M702 WeakPolarHBondContact O-CG 3.48Å; L698-M702 PolarHBondContact O-N 3.43Å; R699-M702 PolarHBondContact O-N 3.44Å; M702-L710 HydrophobicContact SD-CB 3.7Å; M702-L710 HydrophobicContact SD-CD1 4.45Å; M702-L715 HydrophobicContact CG-CD2 4.3Å; M702-L715 HydrophobicContact SD-CD2 4.21Å; M702-I821 HydrophobicContact CG-CG2 4.27Å; M702-L822 HydrophobicContact CE-CD2 3.87Å; M702-L822 HydrophobicContact CG-CD2 4.19Å; M702-I825 HydrophobicContact CB-CD1 3.8Å; M702-L827 HydrophobicContact CE-CD1 4.42Å; M702-L827 HydrophobicContact CE-CD2 3.71Å |
| 703 | Q | 93 | Very high | 94.1 | Very high | 48 Ų | 48 | 34.6 Ų | 34.6 | 22% | 0.224 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 6.1 | 179.6 | -73.3 | -178.1 | 32.1 | 0 | 0 | 114.5 | R675 R699 Y700 M701 P705 I825 | R675-Q703 PolarHBondContact O-NE2 3.11Å; R699-Q703 VanDerWaalsContact NE-NE2 3.18Å; R699-Q703 WeakPolarHBondContact O-CG 3.36Å; R699-Q703 PolarHBondContact O-N 2.73Å; R699-Q703 VanDerWaalsContact O-N 3.15Å; Y700-Q703 PolarHBondContact O-N 3.02Å; M701-Q703 VanDerWaalsContact C-N 3.25Å; M701-Q703 PolarHBondContact O-N 3.01Å; Q703-P705 WeakPolarHBondContact O-CD 3.21Å; Q703-I825 HydrophobicContact CG-CD1 3.74Å; Q703-I825 HydrophobicContact CG-CG1 4.06Å |
| 704 | W | 91.8 | Very high | 94 | Very high | 58 Ų | 58 | 34.9 Ų | 34.9 | 22% | 0.22 | 18% | 0.184 | C | C | . | . | trans | -62.9 | 120.5 | -176.9 | -179.5 | -118.7 | 0 | 0 | 0 | 111.9 | P576 L580 L581 M701 G706 G707 I709 | P576-W704 HydrophobicContact CB-CH2 4.46Å; P576-W704 HydrophobicContact CB-CZ2 3.75Å; P576-W704 HydrophobicContact CG-CD2 4.18Å; P576-W704 HydrophobicContact CG-CG 4.46Å; P576-W704 HydrophobicContact CG-CZ2 4.06Å; L580-W704 HydrophobicContact CD2-CH2 4.34Å; L580-W704 HydrophobicContact CD2-CZ2 4.44Å; L580-W704 HydrophobicContact CG-CH2 4.01Å; L581-W704 HydrophobicContact CD1-CB 4.22Å; L581-W704 HydrophobicContact CD1-CD2 3.78Å; L581-W704 HydrophobicContact CD1-CE3 3.34Å; L581-W704 HydrophobicContact CD1-CG 4.16Å; L581-W704 HydrophobicContact CD1-CZ3 4.01Å; M701-W704 PolarHBondContact O-N 2.94Å; W704-G706 VanDerWaalsContact C-N 3.29Å; W704-G706 PolarHBondContact O-N 2.58Å; W704-G707 VanDerWaalsContact O-O 3.09Å; W704-I709 HydrophobicContact CB-CD1 3.52Å; W704-I709 HydrophobicContact CB-CG1 3.84Å; W704-I709 HydrophobicContact CD2-CD1 4.37Å; W704-I709 HydrophobicContact CG-CD1 3.63Å; W704-I709 HydrophobicContact CG-CG1 3.95Å | ||
| 705 | P | 87.7 | Confident | 94 | Very high | 110 Ų | 110 | 35 Ų | 35 | 71% | 0.714 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -17 | -177 | 30.1 | -36.4 | 0 | 0 | 0 | 113.5 | Q703 G707 | Q703-P705 WeakPolarHBondContact O-CD 3.21Å; P705-G707 VanDerWaalsContact C-N 3.32Å; P705-G707 PolarHBondContact O-N 3.33Å |
| 706 | G | 84.1 | Confident | 94 | Very high | 61 Ų | 61 | 35.2 Ų | 35.2 | 63% | 0.629 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 1.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | W704 | W704-G706 VanDerWaalsContact C-N 3.29Å; W704-G706 PolarHBondContact O-N 2.58Å |
| 707 | G | 82.3 | Confident | 94 | Very high | 37 Ų | 37 | 35.2 Ų | 35.2 | 38% | 0.381 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 148.6 | 169.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | W704 P705 I709 | W704-G707 VanDerWaalsContact O-O 3.09Å; P705-G707 VanDerWaalsContact C-N 3.32Å; P705-G707 PolarHBondContact O-N 3.33Å; G707-I709 PolarHBondContact O-N 3.29Å |
| 708 | R | 86.7 | Confident | 94 | Very high | 135 Ų | 135 | 35.2 Ų | 35.2 | 51% | 0.509 | 19% | 0.186 | S | C | . | . | trans | -81.3 | 104.5 | 174.1 | -64.4 | -176.6 | -164.7 | -114.4 | -6.7 | 109.5 | L827 | R708-L827 PolarHBondContact NH2-O 2.69Š| ||
| 709 | I | 93.9 | Very high | 94 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -64.6 | -48.9 | 173.7 | -64.4 | -178.3 | 0 | 0 | 0 | 110.3 | L575 P576 L581 M701 W704 G707 R744 L748 L751 | L575-I709 HydrophobicContact CD2-CG2 3.97Å; P576-I709 HydrophobicContact CG-CD1 3.79Å; P576-I709 HydrophobicContact CG-CG1 4.35Å; L581-I709 HydrophobicContact CD1-CD1 3.59Å; L581-I709 HydrophobicContact CD2-CD1 3.58Å; L581-I709 HydrophobicContact CG-CD1 4.22Å; M701-I709 HydrophobicContact CB-CG2 4.4Å; M701-I709 HydrophobicContact CE-CG2 3.82Å; W704-I709 HydrophobicContact CB-CD1 3.52Å; W704-I709 HydrophobicContact CB-CG1 3.84Å; W704-I709 HydrophobicContact CD2-CD1 4.37Å; W704-I709 HydrophobicContact CG-CD1 3.63Å; W704-I709 HydrophobicContact CG-CG1 3.95Å; G707-I709 PolarHBondContact O-N 3.29Å; I709-R744 PolarHBondContact O-NH2 3.22Å; I709-L748 HydrophobicContact CG2-CD2 4.13Å; I709-L751 HydrophobicContact CD1-CD2 4.45Å; I709-L751 HydrophobicContact CG2-CD2 3.73Å |
| 710 | L | 95.1 | Very high | 94 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -109.7 | 137.1 | -179.3 | -66.2 | 170.8 | 0 | 0 | 0 | 111.5 | L698 M701 M702 E714 F718 L748 | L698-L710 HydrophobicContact CD2-CD1 3.91Å; M701-L710 HydrophobicContact CB-CD1 4.03Å; M701-L710 HydrophobicContact CE-CD1 4.16Å; M701-L710 HydrophobicContact CE-CD2 4.29Å; M701-L710 HydrophobicContact CE-CG 4.21Å; M701-L710 HydrophobicContact SD-CD1 4.42Å; M702-L710 HydrophobicContact SD-CB 3.7Å; M702-L710 HydrophobicContact SD-CD1 4.45Å; L710-E714 WeakPolarHBondContact CA-OE2 3.39Å; L710-E714 HydrophobicContact CD2-CB 4.23Å; L710-F718 HydrophobicContact CD2-CD2 4.19Å; L710-F718 HydrophobicContact CD2-CE2 3.76Å; L710-L748 HydrophobicContact CD2-CD1 4.05Å; L710-L748 HydrophobicContact CD2-CD2 3.84Å; L710-L748 HydrophobicContact CD2-CG 4.39Å |
| 711 | Q | 93.2 | Very high | 94 | Very high | 61 Ų | 61 | 34 Ų | 34 | 29% | 0.285 | 18% | 0.181 | S | C | . | . | trans | -87.2 | 161.1 | 163.8 | -57 | -165.5 | 48.5 | 0 | 0 | 110.4 | H713 E714 L715 | Q711-H713 VanDerWaalsContact C-N 3.35Å; Q711-H713 PolarHBondContact O-N 3.33Å; Q711-H713 PolarHBondContact OE1-CE1 2.96Å; Q711-E714 HydrophobicContact CB-CG 4.15Å; Q711-E714 PolarHBondContact N-OE2 3.19Å; Q711-E714 PolarHBondContact O-N 3.22Å; Q711-L715 PolarHBondContact O-N 3.28Å | ||
| 712 | R | 94.3 | Very high | 94 | Very high | 129 Ų | 129 | 34 Ų | 34 | 49% | 0.487 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -54.6 | -46.9 | -178.2 | 172.4 | 170.6 | 173.6 | 168.6 | -3.7 | 113.1 | E714 L715 D716 R818 | R712-E714 VanDerWaalsContact C-N 3.31Å; R712-E714 PolarHBondContact O-N 3.05Å; R712-L715 PolarHBondContact O-N 3.01Å; R712-D716 VanDerWaalsContact CG-OD2 3.22Å; R712-D716 WeakPolarHBondContact CG-OD2 3.18Å; R712-D716 IonicContact NE-OD2 3.83Å; R712-D716 PolarHBondContact NE-OD2 3.44Å; R712-D716 WeakPolarHBondContact O-CB 3.31Å; R712-D716 PolarHBondContact O-N 3.01Å; R712-R818 VanDerWaalsContact NH2-NH1 3.19Å |
| 713 | H | 95.1 | Very high | 94.1 | Very high | 32 Ų | 32 | 34.1 Ų | 34.1 | 15% | 0.148 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.5 | -29.2 | -176.8 | 62.3 | -91.4 | 0 | 0 | 0 | 112.5 | Q711 D716 A717 A793 A794 | Q711-H713 VanDerWaalsContact C-N 3.35Å; Q711-H713 PolarHBondContact O-N 3.33Å; Q711-H713 PolarHBondContact OE1-CE1 2.96Å; H713-D716 PolarHBondContact O-N 3.38Å; H713-A717 WeakPolarHBondContact O-CB 3.46Å; H713-A717 PolarHBondContact O-N 3.46Å; H713-A793 HydrophobicContact CB-CB 4.05Å; H713-A793 PolarHBondContact CD2-O 3Å; H713-A794 WeakPolarHBondContact CB-O 3.34Å |
| 714 | E | 97.1 | Very high | 94.2 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.9 | -42.8 | 174.1 | -57.3 | 167.1 | 166.2 | 0 | 0 | 110.7 | L710 Q711 R712 A717 F718 R744 L748 L790 | L710-E714 WeakPolarHBondContact CA-OE2 3.39Å; L710-E714 HydrophobicContact CD2-CB 4.23Å; Q711-E714 HydrophobicContact CB-CG 4.15Å; Q711-E714 PolarHBondContact N-OE2 3.19Å; Q711-E714 PolarHBondContact O-N 3.22Å; R712-E714 VanDerWaalsContact C-N 3.31Å; R712-E714 PolarHBondContact O-N 3.05Å; E714-A717 PolarHBondContact O-N 2.85Å; E714-F718 VanDerWaalsContact O-CD2 3.28Å; E714-F718 WeakPolarHBondContact O-CD2 3.34Å; E714-F718 PolarHBondContact O-N 2.84Å; E714-R744 IonicContact OE1-CZ 3.21Å; E714-R744 VanDerWaalsContact OE1-CZ 3.27Å; E714-R744 IonicContact OE1-NE 3.76Å; E714-R744 PolarHBondContact OE1-NE 3.37Å; E714-R744 IonicContact OE1-NH2 2.9Å; E714-R744 PolarHBondContact OE1-NH2 3.38Å; E714-R744 IonicContact OE2-CZ 2.71Å; E714-R744 IonicContact OE2-NE 3.47Å; E714-R744 IonicContact OE2-NH2 3.71Å; E714-R744 PolarHBondContact OE2-NH2 2.92Å; E714-L748 HydrophobicContact CB-CD1 4.27Å; E714-L748 HydrophobicContact CG-CD1 4.16Å; E714-L790 HydrophobicContact CB-CD1 4.45Å; E714-L790 HydrophobicContact CG-CD1 4.06Å |
| 715 | L | 97.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.1 | -44.5 | 171.1 | 176.1 | 61.9 | 0 | 0 | 0 | 111.5 | L698 M702 Q711 R712 A717 F718 L719 R818 I821 L822 | L698-L715 HydrophobicContact CB-CD1 4.02Å; L698-L715 HydrophobicContact CD1-CD1 3.95Å; L698-L715 HydrophobicContact CD2-CD1 4.29Å; L698-L715 HydrophobicContact CG-CD1 4.31Å; M702-L715 HydrophobicContact CG-CD2 4.3Å; M702-L715 HydrophobicContact SD-CD2 4.21Å; Q711-L715 PolarHBondContact O-N 3.28Å; R712-L715 PolarHBondContact O-N 3.01Å; L715-A717 VanDerWaalsContact C-N 3.29Å; L715-A717 PolarHBondContact O-N 3.35Å; L715-F718 PolarHBondContact O-N 2.96Å; L715-L719 HydrophobicContact CD1-CD1 4.1Å; L715-L719 HydrophobicContact CD1-CG 4.26Å; L715-L719 HydrophobicContact CG-CD1 4.09Å; L715-L719 VanDerWaalsContact O-CG 3.29Å; L715-L719 WeakPolarHBondContact O-CG 3.4Å; L715-L719 PolarHBondContact O-N 3.1Å; L715-R818 HydrophobicContact CD2-CG 4.12Å; L715-I821 HydrophobicContact CD1-CD1 4.21Å; L715-I821 HydrophobicContact CD1-CG2 4.41Å; L715-I821 HydrophobicContact CD2-CG2 4.17Å; L715-L822 HydrophobicContact CD2-CD2 4.37Å |
| 716 | D | 98 | Very high | 94.6 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.6 | -38.4 | 174.6 | -77.2 | -41.2 | 0 | 0 | 0 | 111.1 | R712 H713 L719 A720 L800 M803 R818 | R712-D716 VanDerWaalsContact CG-OD2 3.22Å; R712-D716 WeakPolarHBondContact CG-OD2 3.18Å; R712-D716 IonicContact NE-OD2 3.83Å; R712-D716 PolarHBondContact NE-OD2 3.44Å; R712-D716 WeakPolarHBondContact O-CB 3.31Å; R712-D716 PolarHBondContact O-N 3.01Å; H713-D716 PolarHBondContact O-N 3.38Å; D716-L719 PolarHBondContact O-N 3.25Å; D716-A720 WeakPolarHBondContact O-CB 3.38Å; D716-A720 PolarHBondContact O-N 3.26Å; D716-L800 HydrophobicContact CB-CD1 4.25Å; D716-M803 HydrophobicContact CB-CE 4.02Å; D716-R818 VanDerWaalsContact OD1-CD 3.25Å; D716-R818 WeakPolarHBondContact OD1-CD 3.29Å; D716-R818 IonicContact OD1-CZ 2.68Å; D716-R818 IonicContact OD1-NE 2.94Å; D716-R818 IonicContact OD1-NH1 3.61Å; D716-R818 PolarHBondContact OD1-NH1 3.41Å; D716-R818 IonicContact OD2-NH1 3.7Å; D716-R818 PolarHBondContact OD2-NH1 3.15Å |
| 717 | A | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.2 | -42.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | H713 E714 L715 L719 A720 Q721 F786 K789 L790 A793 M803 | H713-A717 WeakPolarHBondContact O-CB 3.46Å; H713-A717 PolarHBondContact O-N 3.46Å; E714-A717 PolarHBondContact O-N 2.85Å; L715-A717 VanDerWaalsContact C-N 3.29Å; L715-A717 PolarHBondContact O-N 3.35Å; A717-L719 VanDerWaalsContact C-N 3.3Å; A717-L719 PolarHBondContact O-N 3.05Å; A717-A720 PolarHBondContact O-N 3.15Å; A717-Q721 VanDerWaalsContact O-CG 3.32Å; A717-Q721 WeakPolarHBondContact O-CG 3.22Å; A717-Q721 PolarHBondContact O-N 2.81Å; A717-Q721 VanDerWaalsContact O-N 3.17Å; A717-F786 HydrophobicContact CB-CE2 4.19Å; A717-K789 HydrophobicContact CB-CB 4.2Å; A717-L790 HydrophobicContact CB-CB 4.33Å; A717-L790 HydrophobicContact CB-CD1 4.34Å; A717-A793 HydrophobicContact CB-CB 4.19Å; A717-M803 HydrophobicContact CB-SD 3.96Å |
| 718 | F | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.4 | -41.7 | 172.7 | -87.8 | -73.1 | 0 | 0 | 0 | 111.8 | L698 L710 E714 L715 Q721 A722 L748 F752 F781 F786 | L698-F718 HydrophobicContact CD1-CB 4.09Å; L698-F718 HydrophobicContact CD2-CB 4.05Å; L698-F718 HydrophobicContact CD2-CD1 4.24Å; L698-F718 HydrophobicContact CD2-CD2 3.96Å; L698-F718 HydrophobicContact CD2-CE2 4.48Å; L698-F718 HydrophobicContact CD2-CG 3.85Å; L710-F718 HydrophobicContact CD2-CD2 4.19Å; L710-F718 HydrophobicContact CD2-CE2 3.76Å; E714-F718 VanDerWaalsContact O-CD2 3.28Å; E714-F718 WeakPolarHBondContact O-CD2 3.34Å; E714-F718 PolarHBondContact O-N 2.84Å; L715-F718 PolarHBondContact O-N 2.96Å; F718-Q721 WeakPolarHBondContact O-CG 3.43Å; F718-Q721 PolarHBondContact O-NE2 2.9Å; F718-A722 PolarHBondContact O-N 3.19Å; F718-L748 HydrophobicContact CE2-CB 4.39Å; F718-L748 HydrophobicContact CZ-CB 4.42Å; F718-F752 HydrophobicContact CD1-CD1 4.39Å; F718-F752 HydrophobicContact CD1-CD2 4.5Å; F718-F752 HydrophobicContact CD1-CG 4.33Å; F718-F752 HydrophobicContact CE1-CB 3.81Å; F718-F752 AromaticContact CE1-CD1 3.72Å; F718-F752 HydrophobicContact CE1-CD1 3.72Å; F718-F752 HydrophobicContact CE1-CD2 4.14Å; F718-F752 HydrophobicContact CE1-CE1 4.36Å; F718-F752 AromaticContact CE1-CG 3.6Å; F718-F752 HydrophobicContact CE1-CG 3.6Å; F718-F752 HydrophobicContact CZ-CB 3.8Å; F718-F752 HydrophobicContact CZ-CG 4.1Å; F718-F781 HydrophobicContact CD1-CD2 4.13Å; F718-F781 AromaticContact CD1-CE2 3.91Å; F718-F781 HydrophobicContact CD1-CE2 3.91Å; F718-F781 HydrophobicContact CE1-CD2 4.13Å; F718-F781 AromaticContact CE1-CE2 3.59Å; F718-F781 HydrophobicContact CE1-CE2 3.59Å; F718-F781 HydrophobicContact CE1-CZ 4.49Å; F718-F786 HydrophobicContact CB-CE2 4.44Å; F718-F786 AromaticContact CD1-CD2 3.99Å; F718-F786 HydrophobicContact CD1-CD2 3.99Å; F718-F786 AromaticContact CD1-CE2 3.82Å; F718-F786 HydrophobicContact CD1-CE2 3.82Å; F718-F786 HydrophobicContact CD1-CZ 4.42Å; F718-F786 HydrophobicContact CD2-CD2 4.48Å; F718-F786 AromaticContact CD2-CE2 3.57Å; F718-F786 HydrophobicContact CD2-CE2 3.57Å; F718-F786 AromaticContact CD2-CZ 3.96Å; F718-F786 HydrophobicContact CD2-CZ 3.96Å; F718-F786 HydrophobicContact CE1-CD2 4.19Å; F718-F786 HydrophobicContact CE1-CE1 4.47Å; F718-F786 AromaticContact CE1-CE2 3.89Å; F718-F786 HydrophobicContact CE1-CE2 3.89Å; F718-F786 HydrophobicContact CE1-CZ 4.04Å; F718-F786 HydrophobicContact CE2-CE1 4.46Å; F718-F786 AromaticContact CE2-CE2 3.63Å; F718-F786 HydrophobicContact CE2-CE2 3.63Å; F718-F786 AromaticContact CE2-CZ 3.51Å; F718-F786 HydrophobicContact CE2-CZ 3.51Å; F718-F786 HydrophobicContact CG-CD2 4.14Å; F718-F786 AromaticContact CG-CE2 3.65Å; F718-F786 HydrophobicContact CG-CE2 3.65Å; F718-F786 HydrophobicContact CG-CZ 4.38Å; F718-F786 HydrophobicContact CZ-CE1 4.11Å; F718-F786 AromaticContact CZ-CE2 3.8Å; F718-F786 HydrophobicContact CZ-CE2 3.8Å; F718-F786 AromaticContact CZ-CZ 3.56Å; F718-F786 HydrophobicContact CZ-CZ 3.56Å |
| 719 | L | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -75.2 | -38.5 | -179.5 | -65.6 | 173.5 | 0 | 0 | 0 | 112.4 | M694 L698 L715 D716 A717 A722 V723 V814 M817 R818 I821 | M694-L719 HydrophobicContact CE-CD2 3.9Å; L698-L719 HydrophobicContact CD1-CD2 3.91Å; L698-L719 HydrophobicContact CD1-CG 4.45Å; L715-L719 HydrophobicContact CD1-CD1 4.1Å; L715-L719 HydrophobicContact CD1-CG 4.26Å; L715-L719 HydrophobicContact CG-CD1 4.09Å; L715-L719 VanDerWaalsContact O-CG 3.29Å; L715-L719 WeakPolarHBondContact O-CG 3.4Å; L715-L719 PolarHBondContact O-N 3.1Å; D716-L719 PolarHBondContact O-N 3.25Å; A717-L719 VanDerWaalsContact C-N 3.3Å; A717-L719 PolarHBondContact O-N 3.05Å; L719-A722 PolarHBondContact O-N 3.49Å; L719-V723 PolarHBondContact O-N 2.77Å; L719-V814 HydrophobicContact CB-CB 4.35Å; L719-V814 HydrophobicContact CB-CG1 3.77Å; L719-V814 HydrophobicContact CB-CG2 4.04Å; L719-V814 HydrophobicContact CD1-CG1 4.18Å; L719-M817 HydrophobicContact CB-CE 4.12Å; L719-M817 HydrophobicContact CD1-CB 4.3Å; L719-M817 HydrophobicContact CD2-CB 4.03Å; L719-M817 HydrophobicContact CD2-CE 3.92Å; L719-M817 HydrophobicContact CD2-SD 4.18Å; L719-R818 HydrophobicContact CD1-CB 3.84Å; L719-I821 HydrophobicContact CD1-CD1 4.23Å; L719-I821 HydrophobicContact CD2-CD1 3.8Å |
| 720 | A | 98.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.6 | -37.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D716 A717 A722 S724 M803 V814 | D716-A720 WeakPolarHBondContact O-CB 3.38Å; D716-A720 PolarHBondContact O-N 3.26Å; A717-A720 PolarHBondContact O-N 3.15Å; A720-A722 VanDerWaalsContact C-N 3.34Å; A720-S724 PolarHBondContact O-N 3.42Å; A720-M803 HydrophobicContact CB-CB 4.02Å; A720-V814 HydrophobicContact CB-CG2 4.3Å |
| 721 | Q | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70.2 | -30.5 | 173.6 | 64.7 | 82.4 | 50.8 | 0 | 0 | 112.5 | A717 F718 V723 S724 F780 F781 L785 F786 K789 | A717-Q721 VanDerWaalsContact O-CG 3.32Å; A717-Q721 WeakPolarHBondContact O-CG 3.22Å; A717-Q721 PolarHBondContact O-N 2.81Å; A717-Q721 VanDerWaalsContact O-N 3.17Å; F718-Q721 WeakPolarHBondContact O-CG 3.43Å; F718-Q721 PolarHBondContact O-NE2 2.9Å; Q721-V723 VanDerWaalsContact C-N 3.32Å; Q721-V723 PolarHBondContact O-N 3.2Å; Q721-S724 PolarHBondContact O-N 3.09Å; Q721-F780 PolarHBondContact NE2-O 3.44Å; Q721-F781 VanDerWaalsContact OE1-CA 3.28Å; Q721-L785 HydrophobicContact CB-CB 4.38Å; Q721-L785 HydrophobicContact CB-CD2 3.9Å; Q721-L785 HydrophobicContact CB-CG 3.79Å; Q721-F786 HydrophobicContact CG-CB 4.17Å; Q721-F786 HydrophobicContact CG-CD2 4.35Å; Q721-K789 HydrophobicContact CB-CG 3.81Å |
| 722 | A | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -73.5 | -17.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L691 M694 F718 L719 A720 F780 | L691-A722 HydrophobicContact CD2-CB 4.28Å; M694-A722 HydrophobicContact CE-CB 3.55Å; M694-A722 HydrophobicContact SD-CB 3.57Å; M694-A722 VanDerWaalsContact SD-CB 3.57Å; F718-A722 PolarHBondContact O-N 3.19Å; L719-A722 PolarHBondContact O-N 3.49Å; A720-A722 VanDerWaalsContact C-N 3.34Å; A722-F780 WeakPolarHBondContact CB-O 3.18Å |
| 723 | V | 97 | Very high | 94.8 | Very high | 26 Ų | 26 | 32.3 Ų | 32.3 | 16% | 0.158 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -0.1 | 175.8 | -57.6 | 0 | 0 | 0 | 0 | 113.6 | L691 L719 Q721 L810 K813 V814 M817 | L691-V723 HydrophobicContact CD1-CG1 4.15Å; L719-V723 PolarHBondContact O-N 2.77Å; Q721-V723 VanDerWaalsContact C-N 3.32Å; Q721-V723 PolarHBondContact O-N 3.2Å; V723-L810 HydrophobicContact CB-CD2 4.27Å; V723-L810 HydrophobicContact CG2-CB 4.13Å; V723-L810 HydrophobicContact CG2-CD2 4.17Å; V723-L810 WeakPolarHBondContact O-CD2 3.45Å; V723-K813 HydrophobicContact CG1-CB 4.36Å; V723-V814 HydrophobicContact CG2-CG2 3.85Å; V723-M817 HydrophobicContact CG1-CE 3.43Å; V723-M817 VanDerWaalsContact CG1-CE 3.43Å |
| 724 | S | 95.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | trans | -74.2 | 136.2 | 177.6 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | A720 Q721 Q726 L727 E805 | A720-S724 PolarHBondContact O-N 3.42Å; Q721-S724 PolarHBondContact O-N 3.09Å; S724-Q726 PolarHBondContact O-N 3.42Å; S724-Q726 WeakPolarHBondContact OG-CB 3.41Å; S724-Q726 WeakPolarHBondContact OG-CG 3.31Å; S724-Q726 PolarHBondContact OG-N 3Å; S724-L727 WeakPolarHBondContact O-CB 3.49Å; S724-L727 PolarHBondContact O-N 2.9Å; S724-E805 WeakPolarHBondContact CB-OE1 3.42Å; S724-E805 PolarHBondContact OG-OE1 2.79Å | ||
| 725 | S | 93.4 | Very high | 94 | Very high | 69 Ų | 69 | 43.1 Ų | 43.1 | 48% | 0.483 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -60.6 | -30 | 171.2 | 46.4 | 0 | 0 | 0 | 0 | 112.2 | L727 Y728 | S725-L727 PolarHBondContact O-N 2.94Å; S725-L727 VanDerWaalsContact O-N 3.09Å; S725-Y728 PolarHBondContact O-N 3.07Å |
| 726 | Q | 93.8 | Very high | 93.6 | Very high | 45 Ų | 45 | 44.8 Ų | 44.8 | 21% | 0.21 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -57.3 | -26.4 | 178.8 | -55.3 | -179.6 | 10.9 | 0 | 0 | 112.6 | S724 Y728 E729 L733 L785 E805 | S724-Q726 PolarHBondContact O-N 3.42Å; S724-Q726 WeakPolarHBondContact OG-CB 3.41Å; S724-Q726 WeakPolarHBondContact OG-CG 3.31Å; S724-Q726 PolarHBondContact OG-N 3Å; Q726-Y728 PolarHBondContact O-N 3.37Å; Q726-E729 PolarHBondContact O-N 2.94Å; Q726-L733 WeakPolarHBondContact O-CD2 3.41Å; Q726-L733 VanDerWaalsContact O-CG 3.29Å; Q726-L733 WeakPolarHBondContact O-CG 3.27Å; Q726-L785 HydrophobicContact CB-CD1 4.05Å; Q726-L785 HydrophobicContact CB-CD2 4.32Å; Q726-E805 PolarHBondContact NE2-OE2 3.42Å |
| 727 | L | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -60.8 | -28.1 | 176.2 | -178.8 | 60.5 | 0 | 0 | 0 | 112.8 | N85 S724 S725 L733 D782 L785 | N85-L727 PolarHBondContact ND2-O 2.89Å; S724-L727 WeakPolarHBondContact O-CB 3.49Å; S724-L727 PolarHBondContact O-N 2.9Å; S725-L727 PolarHBondContact O-N 2.94Å; S725-L727 VanDerWaalsContact O-N 3.09Å; L727-L733 WeakPolarHBondContact O-CD1 3.38Å; L727-D782 HydrophobicContact CD1-CB 3.67Å; L727-L785 HydrophobicContact CB-CD2 3.95Å; L727-L785 HydrophobicContact CD1-CD2 4.46Å |
| 728 | Y | 91.4 | Very high | 92.7 | Very high | 112 Ų | 112 | 55.1 Ų | 55.1 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -97.9 | 1.3 | -177.2 | -59 | -78.8 | 0 | 0 | 0 | 113.5 | S725 Q726 P730 G779 | S725-Y728 PolarHBondContact O-N 3.07Å; Q726-Y728 PolarHBondContact O-N 3.37Å; Y728-P730 WeakPolarHBondContact O-CD 3.47Å; Y728-G779 PolarHBondContact OH-O 3.05Å; Y728-G779 VanDerWaalsContact OH-O 3.13Å |
| 729 | E | 92.5 | Very high | 92 | Very high | 89 Ų | 89 | 63.9 Ų | 63.9 | 42% | 0.416 | 31% | 0.314 | S | S | . | . | trans | -109.2 | 80.6 | -174.9 | -67.8 | -67.7 | 143 | 0 | 0 | 110.1 | Q726 D731 Q732 L733 | Q726-E729 PolarHBondContact O-N 2.94Å; E729-D731 VanDerWaalsContact C-N 3.28Å; E729-D731 PolarHBondContact O-N 3.24Å; E729-Q732 HydrophobicContact CB-CB 3.97Å; E729-Q732 HydrophobicContact CB-CG 3.86Å; E729-Q732 WeakPolarHBondContact O-CB 3.27Å; E729-Q732 PolarHBondContact O-N 3.41Å; E729-Q732 PolarHBondContact OE2-NE2 3.4Å; E729-L733 PolarHBondContact O-N 2.92Å | ||
| 730 | P | 85.8 | Confident | 91.7 | Very high | 58 Ų | 58 | 71 Ų | 71 | 38% | 0.377 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63 | -31 | -167.6 | 25.4 | -36 | 0 | 0 | 0 | 113.8 | Y728 L733 Q734 | Y728-P730 WeakPolarHBondContact O-CD 3.47Å; P730-L733 PolarHBondContact O-N 3.37Å; P730-Q734 WeakPolarHBondContact O-CB 3.3Å; P730-Q734 PolarHBondContact O-N 3.22Å |
| 731 | D | 88.1 | Confident | 91.6 | Very high | 119 Ų | 119 | 71.1 Ų | 71.1 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -67.9 | -40.2 | 176 | -64.1 | -46.6 | 0 | 0 | 0 | 111.2 | E729 Q734 E735 | E729-D731 VanDerWaalsContact C-N 3.28Å; E729-D731 PolarHBondContact O-N 3.24Å; D731-Q734 PolarHBondContact O-N 3.33Å; D731-E735 PolarHBondContact O-N 3.33Å; D731-E735 VanDerWaalsContact O-N 3.07Å |
| 732 | Q | 90.6 | Very high | 91.5 | Very high | 104 Ų | 104 | 74.9 Ų | 74.9 | 49% | 0.486 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 175 | -57.8 | -177.7 | 38.6 | 0 | 0 | 111.4 | E729 Q734 E735 L736 | E729-Q732 HydrophobicContact CB-CB 3.97Å; E729-Q732 HydrophobicContact CB-CG 3.86Å; E729-Q732 WeakPolarHBondContact O-CB 3.27Å; E729-Q732 PolarHBondContact O-N 3.41Å; E729-Q732 PolarHBondContact OE2-NE2 3.4Å; Q732-Q734 VanDerWaalsContact C-N 3.32Å; Q732-Q734 PolarHBondContact O-N 2.89Å; Q732-E735 PolarHBondContact O-N 2.85Å; Q732-L736 WeakPolarHBondContact O-CB 3Å; Q732-L736 PolarHBondContact O-N 2.71Å |
| 733 | L | 91.1 | Very high | 91.3 | Very high | 7 Ų | 7 | 76.1 Ų | 76.1 | 4% | 0.037 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64 | -35.4 | 173.4 | -67.1 | 176.5 | 0 | 0 | 0 | 112.6 | N85 Q726 L727 E729 P730 L736 D782 K784 L785 | N85-L733 HydrophobicContact CB-CD1 4.35Å; Q726-L733 WeakPolarHBondContact O-CD2 3.41Å; Q726-L733 VanDerWaalsContact O-CG 3.29Å; Q726-L733 WeakPolarHBondContact O-CG 3.27Å; L727-L733 WeakPolarHBondContact O-CD1 3.38Å; E729-L733 PolarHBondContact O-N 2.92Å; P730-L733 PolarHBondContact O-N 3.37Å; L733-L736 HydrophobicContact CD2-CD2 4.42Å; L733-L736 WeakPolarHBondContact O-CB 3.46Å; L733-L736 PolarHBondContact O-N 3.37Å; L733-D782 HydrophobicContact CD1-CB 4.38Å; L733-K784 WeakPolarHBondContact O-CD 2.75Å; L733-L785 HydrophobicContact CD2-CB 3.95Å; L733-L785 HydrophobicContact CD2-CD1 4.41Å; L733-L785 HydrophobicContact CD2-CD2 4.29Å; L733-L785 HydrophobicContact CD2-CG 4.44Å |
| 734 | Q | 86.9 | Confident | 91.2 | Very high | 113 Ų | 113 | 76.8 Ų | 76.8 | 53% | 0.528 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.1 | -35.9 | 176.5 | -172.2 | 176.2 | -95.6 | 0 | 0 | 112 | P730 D731 Q732 | P730-Q734 WeakPolarHBondContact O-CB 3.3Å; P730-Q734 PolarHBondContact O-N 3.22Å; D731-Q734 PolarHBondContact O-N 3.33Å; Q732-Q734 VanDerWaalsContact C-N 3.32Å; Q732-Q734 PolarHBondContact O-N 2.89Å |
| 735 | E | 89 | Confident | 91.2 | Very high | 155 Ų | 155 | 76.7 Ų | 76.7 | 72% | 0.724 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -80.6 | -16.5 | 176.2 | -67.1 | -164.6 | 167.9 | 0 | 0 | 114 | D731 Q732 K737 | D731-E735 PolarHBondContact O-N 3.33Å; D731-E735 VanDerWaalsContact O-N 3.07Å; Q732-E735 PolarHBondContact O-N 2.85Å; E735-K737 PolarHBondContact O-N 2.86Å |
| 736 | L | 90.6 | Very high | 91.4 | Very high | 37 Ų | 37 | 73.5 Ų | 73.5 | 19% | 0.194 | 35% | 0.353 | C | S | . | . | trans | -61.9 | 116.6 | -177.6 | -178.3 | 57.8 | 0 | 0 | 0 | 112.4 | Q732 L733 K784 L785 | Q732-L736 WeakPolarHBondContact O-CB 3Å; Q732-L736 PolarHBondContact O-N 2.71Å; L733-L736 HydrophobicContact CD2-CD2 4.42Å; L733-L736 WeakPolarHBondContact O-CB 3.46Å; L733-L736 PolarHBondContact O-N 3.37Å; L736-K784 HydrophobicContact CD2-CB 4.14Å; L736-K784 WeakPolarHBondContact O-CD 3.45Å; L736-L785 HydrophobicContact CD2-CB 4.38Å; L736-L785 HydrophobicContact CD2-CD1 4.06Å | ||
| 737 | K | 87.6 | Confident | 91.5 | Very high | 182 Ų | 182 | 72.3 Ų | 72.3 | 79% | 0.791 | 35% | 0.347 | S | S | * | . | trans | -99.1 | 119.3 | -180 | -70.3 | 163.5 | -166.6 | 166.1 | 0 | 111.1 | E735 | E735-K737 PolarHBondContact O-N 2.86Š| ||
| 738 | V | 88.8 | Confident | 91.7 | Very high | 38 Ų | 38 | 72.3 Ų | 72.3 | 23% | 0.23 | 35% | 0.347 | C | S | . | . | trans | -87.1 | 108.7 | 168.5 | 175.5 | 0 | 0 | 0 | 0 | 107.9 | K740 V741 K784 Q787 | V738-K740 VanDerWaalsContact C-N 3.28Å; V738-K740 VanDerWaalsContact CG1-O 3.26Å; V738-K740 WeakPolarHBondContact CG1-O 3.24Å; V738-K740 PolarHBondContact O-N 3.34Å; V738-V741 HydrophobicContact CG1-CG2 4.24Å; V738-K784 HydrophobicContact CG2-CB 4.42Å; V738-K784 HydrophobicContact CG2-CG 4.15Å; V738-Q787 HydrophobicContact CG1-CB 3.95Å; V738-Q787 HydrophobicContact CG2-CB 3.89Å | ||
| 739 | E | 85 | Confident | 92 | Very high | 185 Ų | 185 | 67 Ų | 67 | 86% | 0.864 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -61 | -36.8 | -177.3 | -65.2 | -166.1 | 161.7 | 0 | 0 | 113.3 | ||
| 740 | K | 91.7 | Very high | 92.2 | Very high | 148 Ų | 148 | 63.1 Ų | 63.1 | 64% | 0.643 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -144.6 | 124.4 | -179.5 | -68.1 | 173.5 | -170.4 | 155.1 | 0 | 108.3 | A144 V738 D742 | A144-K740 HydrophobicContact CB-CB 4.11Å; A144-K740 HydrophobicContact CB-CG 4.4Å; A144-K740 CarbonylContact O-C 3.59Å; A144-K740 WeakPolarHBondContact O-CA 3.48Å; V738-K740 VanDerWaalsContact C-N 3.28Å; V738-K740 VanDerWaalsContact CG1-O 3.26Å; V738-K740 WeakPolarHBondContact CG1-O 3.24Å; V738-K740 PolarHBondContact O-N 3.34Å; K740-D742 PolarHBondContact O-N 3.17Å |
| 741 | V | 94.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.024 | 29% | 0.293 | C | S | . | . | trans | -79.3 | 115.8 | 174 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | V79 V140 A144 P146 V738 V746 | V79-V741 HydrophobicContact CG1-CG1 4.41Å; V140-V741 HydrophobicContact CG1-CB 4.1Å; V140-V741 HydrophobicContact CG1-CG1 3.72Å; V140-V741 WeakPolarHBondContact CG1-O 3.44Å; A144-V741 PolarHBondContact O-N 2.85Å; P146-V741 HydrophobicContact CG-CG2 4.08Å; V738-V741 HydrophobicContact CG1-CG2 4.24Å; V741-V746 HydrophobicContact CG1-CG2 3.53Å | ||
| 742 | D | 95.1 | Very high | 93.3 | Very high | 80 Ų | 80 | 55 Ų | 55 | 43% | 0.428 | 26% | 0.263 | S | S | . | . | trans | -76.4 | 128.3 | 177 | -173.5 | -88.9 | 0 | 0 | 0 | 111.5 | K740 R744 G745 V746 Q787 L790 | K740-D742 PolarHBondContact O-N 3.17Å; D742-R744 WeakPolarHBondContact OD1-CA 3.44Å; D742-R744 WeakPolarHBondContact OD1-CB 3.34Å; D742-R744 PolarHBondContact OD1-N 3.49Å; D742-G745 PolarHBondContact O-N 3.37Å; D742-G745 PolarHBondContact OD1-N 3.09Å; D742-V746 WeakPolarHBondContact O-CG2 3.32Å; D742-V746 PolarHBondContact O-N 3.26Å; D742-Q787 PolarHBondContact O-NE2 3.24Å; D742-Q787 VanDerWaalsContact O-NE2 3.14Å; D742-L790 HydrophobicContact CB-CD2 4.46Å | ||
| 743 | A | 94.9 | Very high | 93.6 | Very high | 27 Ų | 27 | 50 Ų | 50 | 22% | 0.223 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.8 | -25.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V140 Q747 | V140-A743 HydrophobicContact CG1-CB 3.94Å; A743-Q747 PolarHBondContact O-N 3.43Å; A743-Q747 PolarHBondContact O-NE2 2.89Å |
| 744 | R | 94.6 | Very high | 94 | Very high | 39 Ų | 39 | 50.1 Ų | 50.1 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -81.6 | -39.9 | 172.2 | 177.9 | 170.2 | 159.6 | 75.6 | 15.5 | 109.7 | E574 I709 E714 D742 V746 Q747 L748 | E574-R744 IonicContact OE1-CZ 3.65Å; E574-R744 IonicContact OE1-NH1 3.63Å; E574-R744 PolarHBondContact OE1-NH1 2.78Å; E574-R744 IonicContact OE2-CZ 2.65Å; E574-R744 IonicContact OE2-NH1 2.69Å; E574-R744 PolarHBondContact OE2-NH1 3.47Å; I709-R744 PolarHBondContact O-NH2 3.22Å; E714-R744 IonicContact OE1-CZ 3.21Å; E714-R744 VanDerWaalsContact OE1-CZ 3.27Å; E714-R744 IonicContact OE1-NE 3.76Å; E714-R744 PolarHBondContact OE1-NE 3.37Å; E714-R744 IonicContact OE1-NH2 2.9Å; E714-R744 PolarHBondContact OE1-NH2 3.38Å; E714-R744 IonicContact OE2-CZ 2.71Å; E714-R744 IonicContact OE2-NE 3.47Å; E714-R744 IonicContact OE2-NH2 3.71Å; E714-R744 PolarHBondContact OE2-NH2 2.92Å; D742-R744 WeakPolarHBondContact OD1-CA 3.44Å; D742-R744 WeakPolarHBondContact OD1-CB 3.34Å; D742-R744 PolarHBondContact OD1-N 3.49Å; R744-V746 VanDerWaalsContact C-N 3.31Å; R744-V746 PolarHBondContact O-N 3.29Å; R744-Q747 PolarHBondContact O-N 2.68Å; R744-Q747 VanDerWaalsContact O-N 3.14Å; R744-L748 HydrophobicContact CG-CD1 4.04Å; R744-L748 HydrophobicContact CG-CG 4.2Å; R744-L748 WeakPolarHBondContact O-CB 3.18Å; R744-L748 VanDerWaalsContact O-CG 3.31Å; R744-L748 WeakPolarHBondContact O-CG 3.39Å; R744-L748 PolarHBondContact O-N 3.44Å |
| 745 | G | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.5 | -42.4 | 170 | 0 | 0 | 0 | 0 | 0 | 113.1 | D742 L748 A749 L790 | D742-G745 PolarHBondContact O-N 3.37Å; D742-G745 PolarHBondContact OD1-N 3.09Å; G745-L748 PolarHBondContact O-N 3.38Å; G745-A749 VanDerWaalsContact O-CB 3.27Å; G745-A749 WeakPolarHBondContact O-CB 3.43Å; G745-A749 PolarHBondContact O-N 3.39Å; G745-L790 VanDerWaalsContact CA-CD2 3.5Å |
| 746 | V | 96.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.8 | -48.3 | 173.1 | 160.8 | 0 | 0 | 0 | 0 | 112.1 | V79 V140 I567 V741 D742 R744 A749 A750 | V79-V746 HydrophobicContact CG2-CG1 3.93Å; V79-V746 HydrophobicContact CG2-CG2 4.07Å; V140-V746 HydrophobicContact CG1-CG2 4.21Å; I567-V746 HydrophobicContact CD1-CG1 4.45Å; I567-V746 HydrophobicContact CG2-CG1 3.91Å; V741-V746 HydrophobicContact CG1-CG2 3.53Å; D742-V746 WeakPolarHBondContact O-CG2 3.32Å; D742-V746 PolarHBondContact O-N 3.26Å; R744-V746 VanDerWaalsContact C-N 3.31Å; R744-V746 PolarHBondContact O-N 3.29Å; V746-A749 PolarHBondContact O-N 3.48Å; V746-A750 WeakPolarHBondContact O-CB 3.49Å; V746-A750 PolarHBondContact O-N 3.24Å |
| 747 | Q | 96.3 | Very high | 95.3 | Very high | 20 Ų | 20 | 36.3 Ų | 36.3 | 9% | 0.093 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66 | -42.2 | 178.7 | -71.8 | 171.3 | 70.1 | 0 | 0 | 112.1 | N572 L575 A743 R744 A750 L751 | N572-Q747 PolarHBondContact ND2-OE1 3.12Å; L575-Q747 HydrophobicContact CD1-CB 3.65Å; A743-Q747 PolarHBondContact O-N 3.43Å; A743-Q747 PolarHBondContact O-NE2 2.89Å; R744-Q747 PolarHBondContact O-N 2.68Å; R744-Q747 VanDerWaalsContact O-N 3.14Å; Q747-A750 PolarHBondContact O-N 2.83Å; Q747-L751 VanDerWaalsContact O-CB 3.24Å; Q747-L751 WeakPolarHBondContact O-CB 3.03Å; Q747-L751 PolarHBondContact O-N 3.2Å |
| 748 | L | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.7 | -41.2 | 177.1 | -70.4 | 178.7 | 0 | 0 | 0 | 112 | L575 I709 L710 E714 F718 R744 G745 F752 | L575-L748 HydrophobicContact CD1-CD2 4.26Å; L575-L748 HydrophobicContact CD2-CD2 3.92Å; I709-L748 HydrophobicContact CG2-CD2 4.13Å; L710-L748 HydrophobicContact CD2-CD1 4.05Å; L710-L748 HydrophobicContact CD2-CD2 3.84Å; L710-L748 HydrophobicContact CD2-CG 4.39Å; E714-L748 HydrophobicContact CB-CD1 4.27Å; E714-L748 HydrophobicContact CG-CD1 4.16Å; F718-L748 HydrophobicContact CE2-CB 4.39Å; F718-L748 HydrophobicContact CZ-CB 4.42Å; R744-L748 HydrophobicContact CG-CD1 4.04Å; R744-L748 HydrophobicContact CG-CG 4.2Å; R744-L748 WeakPolarHBondContact O-CB 3.18Å; R744-L748 VanDerWaalsContact O-CG 3.31Å; R744-L748 WeakPolarHBondContact O-CG 3.39Å; R744-L748 PolarHBondContact O-N 3.44Å; G745-L748 PolarHBondContact O-N 3.38Å; L748-F752 VanDerWaalsContact O-CB 3.24Å; L748-F752 WeakPolarHBondContact O-CB 3.32Å; L748-F752 PolarHBondContact O-N 2.97Å |
| 749 | A | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.9 | -44.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | C80 G745 V746 L751 F752 M753 F781 F786 | C80-A749 WeakPolarHBondContact O-CB 3.3Å; G745-A749 VanDerWaalsContact O-CB 3.27Å; G745-A749 WeakPolarHBondContact O-CB 3.43Å; G745-A749 PolarHBondContact O-N 3.39Å; V746-A749 PolarHBondContact O-N 3.48Å; A749-L751 PolarHBondContact O-N 3.15Å; A749-F752 PolarHBondContact O-N 3.29Å; A749-M753 WeakPolarHBondContact O-CB 3.27Å; A749-M753 VanDerWaalsContact O-CG 3.3Å; A749-M753 WeakPolarHBondContact O-CG 3.23Å; A749-M753 PolarHBondContact O-N 3.11Å; A749-F781 HydrophobicContact CB-CZ 3.94Å; A749-F786 HydrophobicContact CB-CD1 4.2Å; A749-F786 HydrophobicContact CB-CE1 4.15Å |
| 750 | A | 97.4 | Very high | 96.9 | Very high | 7 Ų | 7 | 17.7 Ų | 17.7 | 6% | 0.058 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I567 V746 Q747 M753 A754 | I567-A750 HydrophobicContact CB-CB 3.83Å; I567-A750 HydrophobicContact CD1-CB 4.33Å; I567-A750 HydrophobicContact CG1-CB 4.27Å; V746-A750 WeakPolarHBondContact O-CB 3.49Å; V746-A750 PolarHBondContact O-N 3.24Å; Q747-A750 PolarHBondContact O-N 2.83Å; A750-M753 PolarHBondContact O-N 2.99Å; A750-A754 PolarHBondContact O-N 3.24Å |
| 751 | L | 97.3 | Very high | 97.2 | Very high | 7 Ų | 7 | 10.7 Ų | 10.7 | 4% | 0.037 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -67.1 | -40 | 177.7 | -170.4 | 61.1 | 0 | 0 | 0 | 112.1 | L575 A578 L581 F582 M701 I709 Q747 A749 A754 G755 | L575-L751 HydrophobicContact CD2-CD2 4.42Å; A578-L751 HydrophobicContact CB-CD1 3.71Å; L581-L751 HydrophobicContact CD2-CD1 3.64Å; L581-L751 HydrophobicContact CD2-CD2 3.99Å; L581-L751 HydrophobicContact CD2-CG 3.81Å; F582-L751 HydrophobicContact CE2-CD1 4.23Å; F582-L751 WeakPolarHBondContact CE2-O 3.47Å; M701-L751 HydrophobicContact CE-CB 4.41Å; M701-L751 HydrophobicContact CE-CD2 4.27Å; M701-L751 HydrophobicContact CE-CG 4.2Å; I709-L751 HydrophobicContact CD1-CD2 4.45Å; I709-L751 HydrophobicContact CG2-CD2 3.73Å; Q747-L751 VanDerWaalsContact O-CB 3.24Å; Q747-L751 WeakPolarHBondContact O-CB 3.03Å; Q747-L751 PolarHBondContact O-N 3.2Å; A749-L751 PolarHBondContact O-N 3.15Å; L751-A754 PolarHBondContact O-N 2.72Å; L751-G755 PolarHBondContact O-N 3Å; L751-G755 VanDerWaalsContact O-N 3.1Å |
| 752 | F | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61.1 | -47.6 | 171.9 | 168.9 | -103.2 | 0 | 0 | 0 | 111.6 | M694 V697 L698 M701 F718 L748 A749 A754 G755 V756 F780 F781 | M694-F752 HydrophobicContact CB-CZ 4.37Å; M694-F752 HydrophobicContact CG-CE2 3.88Å; M694-F752 HydrophobicContact CG-CZ 3.79Å; V697-F752 HydrophobicContact CB-CD2 4.44Å; V697-F752 HydrophobicContact CB-CE2 4.18Å; V697-F752 HydrophobicContact CG1-CD2 3.67Å; V697-F752 HydrophobicContact CG1-CE2 3.89Å; L698-F752 HydrophobicContact CD2-CD2 3.86Å; L698-F752 HydrophobicContact CD2-CE2 4.06Å; L698-F752 HydrophobicContact CG-CD2 4.32Å; L698-F752 HydrophobicContact CG-CE2 4.07Å; M701-F752 HydrophobicContact CE-CB 4.28Å; M701-F752 HydrophobicContact SD-CB 4.12Å; M701-F752 HydrophobicContact SD-CD2 4.25Å; F718-F752 HydrophobicContact CD1-CD1 4.39Å; F718-F752 HydrophobicContact CD1-CD2 4.5Å; F718-F752 HydrophobicContact CD1-CG 4.33Å; F718-F752 HydrophobicContact CE1-CB 3.81Å; F718-F752 AromaticContact CE1-CD1 3.72Å; F718-F752 HydrophobicContact CE1-CD1 3.72Å; F718-F752 HydrophobicContact CE1-CD2 4.14Å; F718-F752 HydrophobicContact CE1-CE1 4.36Å; F718-F752 AromaticContact CE1-CG 3.6Å; F718-F752 HydrophobicContact CE1-CG 3.6Å; F718-F752 HydrophobicContact CZ-CB 3.8Å; F718-F752 HydrophobicContact CZ-CG 4.1Å; L748-F752 VanDerWaalsContact O-CB 3.24Å; L748-F752 WeakPolarHBondContact O-CB 3.32Å; L748-F752 PolarHBondContact O-N 2.97Å; A749-F752 PolarHBondContact O-N 3.29Å; F752-A754 VanDerWaalsContact C-N 3.31Å; F752-A754 PolarHBondContact O-N 2.79Å; F752-G755 CarbonylContact O-C 3.59Å; F752-G755 VanDerWaalsContact O-CA 3.28Å; F752-G755 WeakPolarHBondContact O-CA 3.41Å; F752-G755 PolarHBondContact O-N 3.4Å; F752-V756 HydrophobicContact CD1-CG2 4.4Å; F752-V756 HydrophobicContact CE1-CG2 3.89Å; F752-V756 HydrophobicContact CE2-CG2 4.17Å; F752-V756 HydrophobicContact CZ-CG2 3.75Å; F752-V756 PolarHBondContact O-N 3.42Å; F752-F780 HydrophobicContact CE1-CE2 4.12Å; F752-F780 HydrophobicContact CZ-CD2 4.11Å; F752-F780 AromaticContact CZ-CE2 3.78Å; F752-F780 HydrophobicContact CZ-CE2 3.78Å; F752-F781 HydrophobicContact CD1-CD2 4.12Å; F752-F781 HydrophobicContact CD1-CE2 4.29Å; F752-F781 HydrophobicContact CD1-CG 4.41Å; F752-F781 HydrophobicContact CE1-CB 4.09Å; F752-F781 AromaticContact CE1-CD2 3.79Å; F752-F781 HydrophobicContact CE1-CD2 3.79Å; F752-F781 HydrophobicContact CE1-CE2 4.41Å; F752-F781 AromaticContact CE1-CG 3.88Å; F752-F781 HydrophobicContact CE1-CG 3.88Å |
| 753 | M | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -64.6 | -32.1 | 178.6 | -69.4 | -43.6 | -60.4 | 0 | 0 | 113.1 | G81 W84 A156 C157 A749 A750 G755 V756 D757 P777 F781 | G81-M753 WeakPolarHBondContact O-CG 3.43Å; W84-M753 HydrophobicContact CH2-CE 4.25Å; W84-M753 HydrophobicContact CZ2-CE 3.47Å; W84-M753 VanDerWaalsContact CZ2-CE 3.47Å; W84-M753 HydrophobicContact CZ2-SD 4.49Å; A156-M753 HydrophobicContact CB-CB 3.96Å; C157-M753 WeakPolarHBondContact SG-CE 3.28Å; A749-M753 WeakPolarHBondContact O-CB 3.27Å; A749-M753 VanDerWaalsContact O-CG 3.3Å; A749-M753 WeakPolarHBondContact O-CG 3.23Å; A749-M753 PolarHBondContact O-N 3.11Å; A750-M753 PolarHBondContact O-N 2.99Å; M753-G755 VanDerWaalsContact C-N 3.3Å; M753-V756 HydrophobicContact CE-CB 4.23Å; M753-V756 HydrophobicContact CE-CG1 4.33Å; M753-V756 HydrophobicContact CE-CG2 4.41Å; M753-V756 PolarHBondContact O-N 3.34Å; M753-V756 HydrophobicContact SD-CG2 4.38Å; M753-D757 PolarHBondContact O-N 3.31Å; M753-P777 HydrophobicContact CE-CB 3.77Å; M753-P777 HydrophobicContact CE-CG 3.29Å; M753-F781 HydrophobicContact SD-CD1 3.88Å; M753-F781 HydrophobicContact SD-CE1 4.24Å; M753-F781 HydrophobicContact SD-CG 4.39Å |
| 754 | A | 98 | Very high | 97.7 | Very high | 8 Ų | 8 | 6.2 Ų | 6.2 | 7% | 0.066 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -68.9 | -29.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A156 A578 F582 A750 L751 F752 T758 | A156-A754 HydrophobicContact CB-CB 4.08Å; A578-A754 HydrophobicContact CB-CB 3.55Å; F582-A754 HydrophobicContact CE2-CB 4.39Å; A750-A754 PolarHBondContact O-N 3.24Å; L751-A754 PolarHBondContact O-N 2.72Å; F752-A754 VanDerWaalsContact C-N 3.31Å; F752-A754 PolarHBondContact O-N 2.79Å; A754-T758 PolarHBondContact O-N 3.48Å; A754-T758 VanDerWaalsContact O-N 3.09Å; A754-T758 PolarHBondContact O-OG1 3.15Å |
| 755 | G | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -66.5 | -40.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F582 V697 L751 F752 M753 T758 A759 | F582-G755 VanDerWaalsContact CE1-CA 3.47Å; V697-G755 WeakPolarHBondContact CG2-O 3.33Å; L751-G755 PolarHBondContact O-N 3Å; L751-G755 VanDerWaalsContact O-N 3.1Å; F752-G755 CarbonylContact O-C 3.59Å; F752-G755 VanDerWaalsContact O-CA 3.28Å; F752-G755 WeakPolarHBondContact O-CA 3.41Å; F752-G755 PolarHBondContact O-N 3.4Å; M753-G755 VanDerWaalsContact C-N 3.3Å; G755-T758 PolarHBondContact O-N 2.91Å; G755-A759 WeakPolarHBondContact O-CB 3.45Å; G755-A759 PolarHBondContact O-N 3.32Å |
| 756 | V | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -63.2 | -43.1 | 173.5 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | L693 V697 F752 M753 T758 A759 L760 P777 F780 | L693-V756 HydrophobicContact CD2-CB 4.45Å; L693-V756 HydrophobicContact CD2-CG1 4.02Å; L693-V756 HydrophobicContact CD2-CG2 4.23Å; V697-V756 HydrophobicContact CG2-CG2 4.47Å; F752-V756 HydrophobicContact CD1-CG2 4.4Å; F752-V756 HydrophobicContact CE1-CG2 3.89Å; F752-V756 HydrophobicContact CE2-CG2 4.17Å; F752-V756 HydrophobicContact CZ-CG2 3.75Å; F752-V756 PolarHBondContact O-N 3.42Å; M753-V756 HydrophobicContact CE-CB 4.23Å; M753-V756 HydrophobicContact CE-CG1 4.33Å; M753-V756 HydrophobicContact CE-CG2 4.41Å; M753-V756 PolarHBondContact O-N 3.34Å; M753-V756 HydrophobicContact SD-CG2 4.38Å; V756-T758 VanDerWaalsContact C-N 3.31Å; V756-T758 PolarHBondContact O-N 3.13Å; V756-A759 PolarHBondContact O-N 3.16Å; V756-L760 HydrophobicContact CG1-CD1 4.04Å; V756-L760 HydrophobicContact CG1-CG 4.49Å; V756-L760 WeakPolarHBondContact O-CB 3.26Å; V756-L760 WeakPolarHBondContact O-CG 3.46Å; V756-L760 PolarHBondContact O-N 3.17Å; V756-P777 HydrophobicContact CG1-CG 4.27Å; V756-F780 HydrophobicContact CG1-CZ 4.14Å; V756-F780 HydrophobicContact CG2-CE2 4.04Å; V756-F780 HydrophobicContact CG2-CZ 4.17Å |
| 757 | D | 98 | Very high | 97.9 | Very high | 16 Ų | 16 | 4.8 Ų | 4.8 | 9% | 0.086 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -59.8 | -42.1 | 173.6 | -161.8 | 67.2 | 0 | 0 | 0 | 112 | C157 Y549 M753 L760 F761 | C157-D757 VanDerWaalsContact CA-OD1 3.25Å; C157-D757 WeakPolarHBondContact CA-OD1 3.44Å; C157-D757 HydrophobicContact CB-CB 3.7Å; C157-D757 VanDerWaalsContact CB-OD1 3.26Å; C157-D757 WeakPolarHBondContact CB-OD1 3.49Å; Y549-D757 WeakPolarHBondContact CE2-OD2 3.36Å; Y549-D757 PolarHBondContact OH-OD2 3.43Å; M753-D757 PolarHBondContact O-N 3.31Å; D757-L760 PolarHBondContact O-N 2.98Å; D757-F761 PolarHBondContact O-N 3.04Å |
| 758 | T | 98.6 | Very high | 97.8 | Very high | 10 Ų | 10 | 7.3 Ų | 7.3 | 6% | 0.061 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -65.2 | -40 | 176.3 | -56 | 0 | 0 | 0 | 0 | 111.6 | F582 A585 R586 A754 G755 V756 F761 I762 | F582-T758 HydrophobicContact CB-CG2 4.05Å; A585-T758 HydrophobicContact CB-CG2 4.23Å; R586-T758 HydrophobicContact CG-CG2 4.1Å; A754-T758 PolarHBondContact O-N 3.48Å; A754-T758 VanDerWaalsContact O-N 3.09Å; A754-T758 PolarHBondContact O-OG1 3.15Å; G755-T758 PolarHBondContact O-N 2.91Å; V756-T758 VanDerWaalsContact C-N 3.31Å; V756-T758 PolarHBondContact O-N 3.13Å; T758-F761 WeakPolarHBondContact O-CB 3.43Å; T758-F761 PolarHBondContact O-N 3.4Å; T758-I762 HydrophobicContact CG2-CD1 3.77Å; T758-I762 HydrophobicContact CG2-CG1 4.48Å; T758-I762 WeakPolarHBondContact O-CB 3.29Å; T758-I762 WeakPolarHBondContact O-CD1 3.47Å; T758-I762 VanDerWaalsContact O-CG1 3.25Å; T758-I762 WeakPolarHBondContact O-CG1 3.34Å; T758-I762 PolarHBondContact O-N 3.46Å |
| 759 | A | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -69.7 | -35.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L674 L693 V697 G755 V756 I762 N763 | L674-A759 HydrophobicContact CD1-CB 3.91Å; L693-A759 HydrophobicContact CD1-CB 3.74Å; L693-A759 HydrophobicContact CD2-CB 3.99Å; L693-A759 HydrophobicContact CG-CB 3.75Å; V697-A759 HydrophobicContact CG2-CB 3.77Å; G755-A759 WeakPolarHBondContact O-CB 3.45Å; G755-A759 PolarHBondContact O-N 3.32Å; V756-A759 PolarHBondContact O-N 3.16Å; A759-I762 PolarHBondContact O-N 2.92Å; A759-N763 WeakPolarHBondContact O-CB 3.46Å; A759-N763 PolarHBondContact O-N 2.82Å |
| 760 | L | 98 | Very high | 97.6 | Very high | 4 Ų | 4 | 8.9 Ų | 8.9 | 2% | 0.021 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -61.6 | -46.5 | 170.3 | -77.5 | 162.8 | 0 | 0 | 0 | 111.4 | C157 H160 L164 V756 D757 I762 N763 D764 C775 | C157-L760 HydrophobicContact CB-CD1 3.89Å; H160-L760 HydrophobicContact CB-CD1 4.44Å; L164-L760 HydrophobicContact CD1-CD2 4.31Å; V756-L760 HydrophobicContact CG1-CD1 4.04Å; V756-L760 HydrophobicContact CG1-CG 4.49Å; V756-L760 WeakPolarHBondContact O-CB 3.26Å; V756-L760 WeakPolarHBondContact O-CG 3.46Å; V756-L760 PolarHBondContact O-N 3.17Å; D757-L760 PolarHBondContact O-N 2.98Å; L760-I762 PolarHBondContact O-N 2.71Å; L760-N763 PolarHBondContact O-N 3.04Å; L760-D764 PolarHBondContact O-N 3.1Å; L760-C775 HydrophobicContact CD2-CB 3.51Å |
| 761 | F | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 11 Ų | 11 | 0% | 0.004 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -56.5 | -47.9 | 171.9 | 164.8 | -117.2 | 0 | 0 | 0 | 112 | Y549 I552 I555 R586 A589 Y590 D757 T758 D764 V765 | Y549-F761 HydrophobicContact CD1-CB 4.07Å; Y549-F761 AromaticContact CD1-CD2 3.6Å; Y549-F761 HydrophobicContact CD1-CD2 3.6Å; Y549-F761 HydrophobicContact CD1-CG 4.22Å; Y549-F761 HydrophobicContact CD2-CB 3.64Å; Y549-F761 HydrophobicContact CE1-CB 4.17Å; Y549-F761 HydrophobicContact CE1-CD2 4.02Å; Y549-F761 HydrophobicContact CE1-CG 4.35Å; Y549-F761 HydrophobicContact CE2-CB 3.79Å; Y549-F761 HydrophobicContact CG-CB 3.83Å; Y549-F761 AromaticContact CG-CD2 3.98Å; Y549-F761 HydrophobicContact CG-CD2 3.98Å; Y549-F761 HydrophobicContact CG-CG 4.39Å; I552-F761 HydrophobicContact CD1-CD2 4.13Å; I552-F761 HydrophobicContact CD1-CE2 4.33Å; I552-F761 HydrophobicContact CG1-CD2 3.83Å; I552-F761 HydrophobicContact CG1-CE2 3.67Å; I555-F761 HydrophobicContact CD1-CE2 3.65Å; I555-F761 HydrophobicContact CD1-CZ 3.87Å; R586-F761 HydrophobicContact CB-CE1 4.33Å; R586-F761 HydrophobicContact CG-CD1 4.31Å; R586-F761 HydrophobicContact CG-CE1 4.04Å; A589-F761 HydrophobicContact CB-CD1 4.4Å; A589-F761 HydrophobicContact CB-CE1 3.57Å; A589-F761 HydrophobicContact CB-CZ 3.97Å; Y590-F761 HydrophobicContact CD1-CZ 4.27Å; Y590-F761 HydrophobicContact CE1-CE1 4.34Å; Y590-F761 AromaticContact CE1-CZ 3.85Å; Y590-F761 HydrophobicContact CE1-CZ 3.85Å; D757-F761 PolarHBondContact O-N 3.04Å; T758-F761 WeakPolarHBondContact O-CB 3.43Å; T758-F761 PolarHBondContact O-N 3.4Å; F761-D764 PolarHBondContact O-N 2.9Å; F761-V765 HydrophobicContact CD2-CG2 3.93Å; F761-V765 HydrophobicContact CE1-CG2 4.41Å; F761-V765 HydrophobicContact CE2-CG2 3.55Å; F761-V765 HydrophobicContact CZ-CG2 3.81Å; F761-V765 WeakPolarHBondContact O-CG2 3.36Å; F761-V765 PolarHBondContact O-N 3.47Å |
| 762 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66 | -37.6 | 180 | -69.9 | 162.7 | 0 | 0 | 0 | 111.8 | A585 A589 F670 C673 L674 T758 A759 L760 D764 V765 C766 | A585-I762 HydrophobicContact CB-CD1 3.74Å; A589-I762 HydrophobicContact CB-CG1 4.15Å; F670-I762 HydrophobicContact CD2-CB 4.49Å; F670-I762 HydrophobicContact CD2-CG2 3.81Å; F670-I762 HydrophobicContact CE2-CG2 4.44Å; F670-I762 HydrophobicContact CG-CG2 4.45Å; C673-I762 HydrophobicContact CB-CD1 4.04Å; C673-I762 HydrophobicContact CB-CG1 4.28Å; C673-I762 HydrophobicContact CB-CG2 3.52Å; L674-I762 HydrophobicContact CD2-CD1 3.67Å; L674-I762 HydrophobicContact CG-CD1 4.02Å; T758-I762 HydrophobicContact CG2-CD1 3.77Å; T758-I762 HydrophobicContact CG2-CG1 4.48Å; T758-I762 WeakPolarHBondContact O-CB 3.29Å; T758-I762 WeakPolarHBondContact O-CD1 3.47Å; T758-I762 VanDerWaalsContact O-CG1 3.25Å; T758-I762 WeakPolarHBondContact O-CG1 3.34Å; T758-I762 PolarHBondContact O-N 3.46Å; A759-I762 PolarHBondContact O-N 2.92Å; L760-I762 PolarHBondContact O-N 2.71Å; I762-D764 VanDerWaalsContact C-N 3.32Å; I762-D764 PolarHBondContact O-N 2.94Å; I762-V765 PolarHBondContact O-N 3.49Å; I762-C766 VanDerWaalsContact O-CB 3.28Å; I762-C766 WeakPolarHBondContact O-CB 3.47Å; I762-C766 PolarHBondContact O-N 3.21Å; I762-C766 PolarHBondContact O-SG 3.44Å |
| 763 | N | 98.1 | Very high | 96.7 | Very high | 6 Ų | 6 | 18.3 Ų | 18.3 | 3% | 0.032 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.8 | -46.5 | 175.6 | -170.2 | 48.1 | 0 | 0 | 0 | 110.9 | F670 A759 L760 C766 G767 Q768 P769 L770 | F670-N763 HydrophobicContact CD2-CB 4.17Å; F670-N763 HydrophobicContact CE2-CB 4.1Å; A759-N763 WeakPolarHBondContact O-CB 3.46Å; A759-N763 PolarHBondContact O-N 2.82Å; L760-N763 PolarHBondContact O-N 3.04Å; N763-C766 CarbonylContact O-C 3.51Å; N763-C766 PolarHBondContact O-N 3.48Å; N763-G767 PolarHBondContact O-N 3.12Å; N763-Q768 WeakPolarHBondContact O-CA 3.47Å; N763-Q768 PolarHBondContact O-N 2.96Å; N763-P769 WeakPolarHBondContact O-CD 3.39Å; N763-P769 WeakPolarHBondContact OD1-CD 3.47Å; N763-P769 WeakPolarHBondContact OD1-CG 3.48Å; N763-L770 PolarHBondContact ND2-O 2.86Å; N763-L770 WeakPolarHBondContact OD1-CB 3.27Å; N763-L770 PolarHBondContact OD1-N 2.88Å |
| 764 | D | 97.8 | Very high | 96.5 | Very high | 11 Ų | 11 | 20.5 Ų | 20.5 | 6% | 0.059 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.2 | -43 | 177.7 | -75 | -20.9 | 0 | 0 | 0 | 112.9 | M548 Y549 I552 W655 L760 F761 I762 C766 G767 Q768 | M548-D764 WeakPolarHBondContact CA-OD2 3.3Å; M548-D764 HydrophobicContact CG-CB 4.31Å; Y549-D764 PolarHBondContact N-OD2 3.5Å; I552-D764 HydrophobicContact CD1-CB 3.55Å; W655-D764 PolarHBondContact NE1-O 3.47Å; L760-D764 PolarHBondContact O-N 3.1Å; F761-D764 PolarHBondContact O-N 2.9Å; I762-D764 VanDerWaalsContact C-N 3.32Å; I762-D764 PolarHBondContact O-N 2.94Å; D764-C766 VanDerWaalsContact C-N 3.27Å; D764-C766 PolarHBondContact O-N 3.39Å; D764-G767 PolarHBondContact O-N 3.16Å; D764-Q768 WeakPolarHBondContact OD1-CG 3.48Å; D764-Q768 PolarHBondContact OD1-NE2 3.38Å |
| 765 | V | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -55.6 | -44.6 | 172.9 | 166.9 | 0 | 0 | 0 | 0 | 111.1 | I552 A589 V592 L593 W655 F761 I762 G767 | I552-V765 HydrophobicContact CD1-CG2 3.77Å; I552-V765 HydrophobicContact CG1-CG2 4.04Å; A589-V765 HydrophobicContact CB-CB 4.48Å; A589-V765 HydrophobicContact CB-CG1 4.08Å; A589-V765 HydrophobicContact CB-CG2 4.29Å; A589-V765 WeakPolarHBondContact O-CG1 3.41Å; V592-V765 HydrophobicContact CB-CG1 3.84Å; V592-V765 HydrophobicContact CG1-CG1 3.72Å; L593-V765 HydrophobicContact CD1-CG2 3.99Å; L593-V765 HydrophobicContact CD2-CB 4.43Å; L593-V765 HydrophobicContact CD2-CG1 4.11Å; L593-V765 HydrophobicContact CD2-CG2 3.99Å; L593-V765 HydrophobicContact CG-CB 4.49Å; L593-V765 HydrophobicContact CG-CG1 3.89Å; L593-V765 HydrophobicContact CG-CG2 3.93Å; W655-V765 PolarHBondContact NE1-O 3.15Å; F761-V765 HydrophobicContact CD2-CG2 3.93Å; F761-V765 HydrophobicContact CE1-CG2 4.41Å; F761-V765 HydrophobicContact CE2-CG2 3.55Å; F761-V765 HydrophobicContact CZ-CG2 3.81Å; F761-V765 WeakPolarHBondContact O-CG2 3.36Å; F761-V765 PolarHBondContact O-N 3.47Å; I762-V765 PolarHBondContact O-N 3.49Å; V765-G767 PolarHBondContact O-N 3.12Å |
| 766 | C | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 7.6 | 179.9 | -64.6 | 0 | 0 | 0 | 0 | 114 | R666 A669 F670 I762 N763 D764 P769 | R666-C766 WeakPolarHBondContact CB-O 3.39Å; R666-C766 WeakPolarHBondContact CG-O 3.31Å; A669-C766 HydrophobicContact CB-CB 4.2Å; F670-C766 HydrophobicContact CB-CB 4.1Å; F670-C766 PolarHBondContact N-SG 3Å; F670-C766 VanDerWaalsContact N-SG 3.37Å; I762-C766 VanDerWaalsContact O-CB 3.28Å; I762-C766 WeakPolarHBondContact O-CB 3.47Å; I762-C766 PolarHBondContact O-N 3.21Å; I762-C766 PolarHBondContact O-SG 3.44Å; N763-C766 CarbonylContact O-C 3.51Å; N763-C766 PolarHBondContact O-N 3.48Å; D764-C766 VanDerWaalsContact C-N 3.27Å; D764-C766 PolarHBondContact O-N 3.39Å; C766-P769 HydrophobicContact CB-CG 4.3Å |
| 767 | G | 96 | Very high | 96.1 | Very high | 11 Ų | 11 | 20.1 Ų | 20.1 | 11% | 0.113 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81 | 29.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R666 N763 D764 V765 | R666-G767 WeakPolarHBondContact CD-O 3.26Å; N763-G767 PolarHBondContact O-N 3.12Å; D764-G767 PolarHBondContact O-N 3.16Å; V765-G767 PolarHBondContact O-N 3.12Å |
| 768 | Q | 95.1 | Very high | 96 | Very high | 73 Ų | 73 | 20.2 Ų | 20.2 | 34% | 0.341 | 10% | 0.101 | S | C | . | . | trans | 58.7 | 59.2 | 176.6 | -65.8 | 160.2 | -22.6 | 0 | 0 | 114.3 | R542 L547 N763 D764 L770 | R542-Q768 VanDerWaalsContact NH1-CD 3.27Å; L547-Q768 PolarHBondContact O-NE2 3.28Å; N763-Q768 WeakPolarHBondContact O-CA 3.47Å; N763-Q768 PolarHBondContact O-N 2.96Å; D764-Q768 WeakPolarHBondContact OD1-CG 3.48Å; D764-Q768 PolarHBondContact OD1-NE2 3.38Å; Q768-L770 VanDerWaalsContact C-N 3.29Å | ||
| 769 | P | 95.7 | Very high | 95.8 | Very high | 24 Ų | 24 | 20.5 Ų | 20.5 | 16% | 0.156 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -64.4 | -29.6 | 169.4 | 24.5 | -32.3 | 0 | 0 | 0 | 113.9 | R666 F670 N763 C766 | R666-P769 HydrophobicContact CB-CB 3.82Å; R666-P769 HydrophobicContact CB-CG 4.23Å; F670-P769 HydrophobicContact CB-CG 3.71Å; F670-P769 HydrophobicContact CG-CG 4.21Å; N763-P769 WeakPolarHBondContact O-CD 3.39Å; N763-P769 WeakPolarHBondContact OD1-CD 3.47Å; N763-P769 WeakPolarHBondContact OD1-CG 3.48Å; C766-P769 HydrophobicContact CB-CG 4.3Å |
| 770 | L | 95.5 | Very high | 95.8 | Very high | 8 Ų | 8 | 20.6 Ų | 20.6 | 4% | 0.042 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -100.8 | 135.1 | 175.1 | -55.5 | -174.1 | 0 | 0 | 0 | 110.5 | F670 L692 L693 N763 Q768 | F670-L770 HydrophobicContact CD1-CD1 4.43Å; F670-L770 HydrophobicContact CE1-CD1 3.7Å; F670-L770 HydrophobicContact CE1-CG 4.39Å; F670-L770 HydrophobicContact CE2-CD1 4.06Å; F670-L770 HydrophobicContact CZ-CD1 3.49Å; F670-L770 VanDerWaalsContact CZ-CD1 3.49Å; F670-L770 HydrophobicContact CZ-CG 4.39Å; L692-L770 HydrophobicContact CD2-CD2 3.91Å; L693-L770 HydrophobicContact CB-CD1 4Å; L693-L770 HydrophobicContact CD1-CD1 4.39Å; N763-L770 PolarHBondContact ND2-O 2.86Å; N763-L770 WeakPolarHBondContact OD1-CB 3.27Å; N763-L770 PolarHBondContact OD1-N 2.88Å; Q768-L770 VanDerWaalsContact C-N 3.29Å |
| 771 | P | 93.8 | Very high | 95.8 | Very high | 52 Ų | 52 | 20.4 Ų | 20.4 | 34% | 0.338 | 11% | 0.106 | S | C | . | . | trans | -58.1 | 141.8 | 168.4 | -20.1 | 31.9 | 0 | 0 | 0 | 110.8 | E773 H774 C775 | P771-E773 WeakPolarHBondContact CB-OE2 3.36Å; P771-E773 PolarHBondContact O-N 2.84Å; P771-H774 WeakPolarHBondContact O-CB 3.46Å; P771-H774 PolarHBondContact O-N 3.34Å; P771-C775 PolarHBondContact O-SG 3.01Å; P771-C775 VanDerWaalsContact O-SG 3.33Å | ||
| 772 | W | 90.1 | Very high | 95.6 | Very high | 75 Ų | 75 | 20.4 Ų | 20.4 | 28% | 0.284 | 11% | 0.106 | S | C | . | . | G | 310 helix | trans | -62.9 | -29.1 | -177.3 | 67.4 | -84 | 0 | 0 | 0 | 111.6 | L164 R168 H774 C775 C776 W778 | L164-W772 HydrophobicContact CB-CE3 3.87Å; L164-W772 HydrophobicContact CB-CZ3 4.22Å; L164-W772 HydrophobicContact CD1-CB 4.25Å; L164-W772 HydrophobicContact CD1-CE3 4.35Å; L164-W772 HydrophobicContact CD2-CB 4.11Å; L164-W772 HydrophobicContact CD2-CD2 4.34Å; L164-W772 HydrophobicContact CD2-CE3 4.16Å; L164-W772 HydrophobicContact CD2-CG 4.32Å; L164-W772 HydrophobicContact CG-CE3 4.34Å; R168-W772 HydrophobicContact CB-CH2 3.74Å; R168-W772 HydrophobicContact CB-CZ3 4.35Å; R168-W772 HydrophobicContact CG-CH2 4.08Å; W772-H774 PolarHBondContact O-N 2.76Å; W772-C775 PolarHBondContact O-N 3.19Å; W772-C776 PolarHBondContact O-N 2.88Å; W772-C776 PolarHBondContact O-SG 3.12Å; W772-W778 HydrophobicContact CZ3-CZ2 4.18Å |
| 773 | E | 90.3 | Very high | 95.5 | Very high | 86 Ų | 86 | 20.5 Ų | 20.5 | 40% | 0.402 | 11% | 0.107 | S | C | . | . | G | 310 helix | trans | -56.5 | -35.2 | 173.3 | -59.5 | 85.7 | 168.8 | 0 | 0 | 112.3 | P771 | P771-E773 WeakPolarHBondContact CB-OE2 3.36Å; P771-E773 PolarHBondContact O-N 2.84Å |
| 774 | H | 93.8 | Very high | 95.3 | Very high | 46 Ų | 46 | 21.2 Ų | 21.2 | 21% | 0.213 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -88.1 | -3.6 | 179.3 | -65.1 | -173 | 0 | 0 | 0 | 113 | H690 P771 W772 | H690-H774 HydrophobicContact CB-CB 4.48Å; P771-H774 WeakPolarHBondContact O-CB 3.46Å; P771-H774 PolarHBondContact O-N 3.34Å; W772-H774 PolarHBondContact O-N 2.76Å |
| 775 | C | 94.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -8.2 | -178.3 | -60.3 | 0 | 0 | 0 | 0 | 113.5 | L693 L760 P771 W772 | L693-C775 HydrophobicContact CD1-CB 3.78Å; L760-C775 HydrophobicContact CD2-CB 3.51Å; P771-C775 PolarHBondContact O-SG 3.01Å; P771-C775 VanDerWaalsContact O-SG 3.33Å; W772-C775 PolarHBondContact O-N 3.19Å |
| 776 | C | 94.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -92 | 136.1 | -173.3 | -64.5 | 0 | 0 | 0 | 0 | 112.4 | L164 W772 W778 G779 F780 | L164-C776 WeakPolarHBondContact CD1-SG 3.27Å; W772-C776 PolarHBondContact O-N 2.88Å; W772-C776 PolarHBondContact O-SG 3.12Å; C776-W778 VanDerWaalsContact C-N 3.29Å; C776-W778 HydrophobicContact CB-CD2 3.7Å; C776-W778 HydrophobicContact CB-CE3 4.1Å; C776-W778 HydrophobicContact CB-CG 4.35Å; C776-W778 HydrophobicContact CB-CH2 3.69Å; C776-W778 HydrophobicContact CB-CZ2 3.25Å; C776-W778 HydrophobicContact CB-CZ3 4.1Å; C776-W778 PolarHBondContact O-N 3.23Å; C776-W778 VanDerWaalsContact O-N 3.15Å; C776-W778 WeakPolarHBondContact SG-CZ2 3.49Å; C776-G779 PolarHBondContact O-N 3.3Å; C776-G779 VanDerWaalsContact O-N 3.12Å; C776-F780 VanDerWaalsContact O-CE1 3.29Å; C776-F780 WeakPolarHBondContact O-CE1 3.21Å |
| 777 | P | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -58.8 | -32.3 | -171.6 | -25.8 | 34.4 | 0 | 0 | 0 | 115.2 | W84 C161 M753 V756 G779 F780 F781 | W84-P777 HydrophobicContact CB-CB 4.15Å; W84-P777 HydrophobicContact CD2-CB 3.71Å; W84-P777 HydrophobicContact CD2-CG 4.01Å; W84-P777 HydrophobicContact CE3-CB 4.39Å; W84-P777 HydrophobicContact CE3-CG 4.29Å; W84-P777 HydrophobicContact CG-CB 3.56Å; W84-P777 HydrophobicContact CG-CG 4.38Å; W84-P777 HydrophobicContact CZ2-CG 4.41Å; C161-P777 WeakPolarHBondContact SG-CD 3.49Å; M753-P777 HydrophobicContact CE-CB 3.77Å; M753-P777 HydrophobicContact CE-CG 3.29Å; V756-P777 HydrophobicContact CG1-CG 4.27Å; P777-G779 PolarHBondContact O-N 2.95Å; P777-F780 HydrophobicContact CB-CE2 4.41Å; P777-F780 HydrophobicContact CB-CZ 4.46Å; P777-F780 CarbonylContact O-C 3.6Å; P777-F780 PolarHBondContact O-N 2.92Å; P777-F781 PolarHBondContact O-N 2.84Å |
| 778 | W | 95.1 | Very high | 95 | Very high | 17 Ų | 17 | 21.3 Ų | 21.3 | 6% | 0.064 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -59.3 | -15.4 | 178.9 | 55.6 | 69.4 | 0 | 0 | 0 | 114.5 | W84 N85 M87 L88 C161 L164 A165 W772 C776 | W84-W778 HydrophobicContact CB-CB 3.8Å; N85-W778 PolarHBondContact ND2-O 3.37Å; M87-W778 HydrophobicContact CE-CE3 3.73Å; M87-W778 HydrophobicContact CE-CZ3 3.56Å; L88-W778 HydrophobicContact CD1-CD2 4.09Å; L88-W778 HydrophobicContact CD1-CE3 4.11Å; L88-W778 HydrophobicContact CD1-CH2 4.15Å; L88-W778 HydrophobicContact CD1-CZ2 4.1Å; L88-W778 HydrophobicContact CD1-CZ3 4.14Å; L88-W778 HydrophobicContact CD2-CB 4.33Å; L88-W778 HydrophobicContact CD2-CD2 3.94Å; L88-W778 HydrophobicContact CD2-CG 3.79Å; L88-W778 HydrophobicContact CG-CD2 4.44Å; C161-W778 HydrophobicContact CB-CZ3 4.01Å; C161-W778 WeakPolarHBondContact O-CH2 3.45Å; C161-W778 WeakPolarHBondContact O-CZ3 3.22Å; L164-W778 HydrophobicContact CB-CH2 4.27Å; A165-W778 HydrophobicContact CB-CH2 3.94Å; A165-W778 HydrophobicContact CB-CZ3 4.13Å; W772-W778 HydrophobicContact CZ3-CZ2 4.18Å; C776-W778 VanDerWaalsContact C-N 3.29Å; C776-W778 HydrophobicContact CB-CD2 3.7Å; C776-W778 HydrophobicContact CB-CE3 4.1Å; C776-W778 HydrophobicContact CB-CG 4.35Å; C776-W778 HydrophobicContact CB-CH2 3.69Å; C776-W778 HydrophobicContact CB-CZ2 3.25Å; C776-W778 HydrophobicContact CB-CZ3 4.1Å; C776-W778 PolarHBondContact O-N 3.23Å; C776-W778 VanDerWaalsContact O-N 3.15Å; C776-W778 WeakPolarHBondContact SG-CZ2 3.49Å |
| 779 | G | 95.5 | Very high | 95.1 | Very high | 17 Ų | 17 | 17.9 Ų | 17.9 | 18% | 0.175 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -90.1 | -4.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y728 C776 P777 | Y728-G779 PolarHBondContact OH-O 3.05Å; Y728-G779 VanDerWaalsContact OH-O 3.13Å; C776-G779 PolarHBondContact O-N 3.3Å; C776-G779 VanDerWaalsContact O-N 3.12Å; P777-G779 PolarHBondContact O-N 2.95Å |
| 780 | F | 97.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 0% | 0.004 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -155.2 | -4.7 | -175.3 | 59.8 | -105.8 | 0 | 0 | 0 | 116.7 | L691 L693 M694 Q721 A722 F752 V756 C776 P777 | L691-F780 HydrophobicContact CD2-CB 3.51Å; L693-F780 HydrophobicContact CD2-CE1 4.39Å; L693-F780 HydrophobicContact CD2-CZ 3.99Å; M694-F780 HydrophobicContact CB-CB 4.43Å; M694-F780 HydrophobicContact CB-CD2 3.8Å; M694-F780 HydrophobicContact CB-CE2 4.18Å; M694-F780 HydrophobicContact CB-CG 4.04Å; M694-F780 HydrophobicContact CG-CD2 4.14Å; M694-F780 HydrophobicContact SD-CB 4.1Å; M694-F780 HydrophobicContact SD-CD2 4.19Å; M694-F780 HydrophobicContact SD-CG 4.48Å; Q721-F780 PolarHBondContact NE2-O 3.44Å; A722-F780 WeakPolarHBondContact CB-O 3.18Å; F752-F780 HydrophobicContact CE1-CE2 4.12Å; F752-F780 HydrophobicContact CZ-CD2 4.11Å; F752-F780 AromaticContact CZ-CE2 3.78Å; F752-F780 HydrophobicContact CZ-CE2 3.78Å; V756-F780 HydrophobicContact CG1-CZ 4.14Å; V756-F780 HydrophobicContact CG2-CE2 4.04Å; V756-F780 HydrophobicContact CG2-CZ 4.17Å; C776-F780 VanDerWaalsContact O-CE1 3.29Å; C776-F780 WeakPolarHBondContact O-CE1 3.21Å; P777-F780 HydrophobicContact CB-CE2 4.41Å; P777-F780 HydrophobicContact CB-CZ 4.46Å; P777-F780 CarbonylContact O-C 3.6Å; P777-F780 PolarHBondContact O-N 2.92Å |
| 781 | F | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -148.9 | 131.9 | -176.7 | -172.7 | -96.3 | 0 | 0 | 0 | 113.8 | W84 F718 Q721 A749 F752 M753 P777 F786 | W84-F781 AromaticContact CD1-CD1 3.96Å; W84-F781 AromaticContact NE1-CD1 3.83Å; F718-F781 HydrophobicContact CD1-CD2 4.13Å; F718-F781 AromaticContact CD1-CE2 3.91Å; F718-F781 HydrophobicContact CD1-CE2 3.91Å; F718-F781 HydrophobicContact CE1-CD2 4.13Å; F718-F781 AromaticContact CE1-CE2 3.59Å; F718-F781 HydrophobicContact CE1-CE2 3.59Å; F718-F781 HydrophobicContact CE1-CZ 4.49Å; Q721-F781 VanDerWaalsContact OE1-CA 3.28Å; A749-F781 HydrophobicContact CB-CZ 3.94Å; F752-F781 HydrophobicContact CD1-CD2 4.12Å; F752-F781 HydrophobicContact CD1-CE2 4.29Å; F752-F781 HydrophobicContact CD1-CG 4.41Å; F752-F781 HydrophobicContact CE1-CB 4.09Å; F752-F781 AromaticContact CE1-CD2 3.79Å; F752-F781 HydrophobicContact CE1-CD2 3.79Å; F752-F781 HydrophobicContact CE1-CE2 4.41Å; F752-F781 AromaticContact CE1-CG 3.88Å; F752-F781 HydrophobicContact CE1-CG 3.88Å; M753-F781 HydrophobicContact SD-CD1 3.88Å; M753-F781 HydrophobicContact SD-CE1 4.24Å; M753-F781 HydrophobicContact SD-CG 4.39Å; P777-F781 PolarHBondContact O-N 2.84Å; F781-F786 HydrophobicContact CE2-CB 3.67Å; F781-F786 HydrophobicContact CE2-CD1 4.14Å; F781-F786 HydrophobicContact CE2-CD2 4.24Å; F781-F786 AromaticContact CE2-CG 3.74Å; F781-F786 HydrophobicContact CE2-CG 3.74Å; F781-F786 HydrophobicContact CZ-CB 3.93Å; F781-F786 HydrophobicContact CZ-CD1 4.14Å; F781-F786 HydrophobicContact CZ-CG 4.12Å | ||
| 782 | D | 96.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.011 | 12% | 0.122 | C | C | . | . | trans | -134.7 | 133.9 | 162.4 | -179 | -82.5 | 0 | 0 | 0 | 111.1 | E83 L727 L733 K784 L785 F786 | E83-D782 VanDerWaalsContact CA-OD2 3.31Å; E83-D782 WeakPolarHBondContact CA-OD2 3.44Å; L727-D782 HydrophobicContact CD1-CB 3.67Å; L733-D782 HydrophobicContact CD1-CB 4.38Å; D782-K784 WeakPolarHBondContact OD1-CA 3.35Å; D782-K784 WeakPolarHBondContact OD1-CB 3.33Å; D782-K784 PolarHBondContact OD1-N 2.79Å; D782-L785 HydrophobicContact CB-CB 4.03Å; D782-L785 PolarHBondContact O-N 3.41Å; D782-L785 PolarHBondContact OD1-N 2.83Å; D782-F786 VanDerWaalsContact O-CB 3.26Å; D782-F786 WeakPolarHBondContact O-CB 3.4Å; D782-F786 PolarHBondContact O-N 2.66Å | ||
| 783 | G | 95.4 | Very high | 95 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -70.1 | -32.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | C80 G82 Q787 | C80-G783 VanDerWaalsContact CB-O 3.23Å; C80-G783 WeakPolarHBondContact CB-O 3.22Å; C80-G783 WeakPolarHBondContact O-CA 3.24Å; G82-G783 PolarHBondContact O-N 2.95Å; G783-Q787 WeakPolarHBondContact O-CG 3.44Å; G783-Q787 PolarHBondContact O-N 3.33Å |
| 784 | K | 93.6 | Very high | 94.8 | Very high | 22 Ų | 22 | 17.8 Ų | 17.8 | 10% | 0.096 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.6 | -46.4 | 173.1 | -96.8 | 175.5 | -178.6 | 124.7 | 0 | 109.9 | D77 E83 L733 L736 V738 D782 F786 Q787 S788 | D77-K784 WeakPolarHBondContact OD2-CE 3.29Å; D77-K784 IonicContact OD2-NZ 3.62Å; D77-K784 PolarHBondContact OD2-NZ 3.19Å; E83-K784 WeakPolarHBondContact OE1-CD 3.38Å; E83-K784 WeakPolarHBondContact OE1-CE 3.42Å; E83-K784 WeakPolarHBondContact OE1-CG 3.33Å; E83-K784 IonicContact OE1-NZ 3.66Å; E83-K784 PolarHBondContact OE1-NZ 3.14Å; E83-K784 IonicContact OE2-NZ 2.74Å; E83-K784 PolarHBondContact OE2-NZ 3.43Å; L733-K784 WeakPolarHBondContact O-CD 2.75Å; L736-K784 HydrophobicContact CD2-CB 4.14Å; L736-K784 WeakPolarHBondContact O-CD 3.45Å; V738-K784 HydrophobicContact CG2-CB 4.42Å; V738-K784 HydrophobicContact CG2-CG 4.15Å; D782-K784 WeakPolarHBondContact OD1-CA 3.35Å; D782-K784 WeakPolarHBondContact OD1-CB 3.33Å; D782-K784 PolarHBondContact OD1-N 2.79Å; K784-F786 PolarHBondContact O-N 3.19Å; K784-Q787 PolarHBondContact O-N 3.09Å; K784-S788 WeakPolarHBondContact O-CB 3.47Å; K784-S788 PolarHBondContact O-N 2.9Å |
| 785 | L | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 179.1 | -168.1 | 61.7 | 0 | 0 | 0 | 111 | Q721 Q726 L727 L733 L736 D782 Q787 S788 K789 | Q721-L785 HydrophobicContact CB-CB 4.38Å; Q721-L785 HydrophobicContact CB-CD2 3.9Å; Q721-L785 HydrophobicContact CB-CG 3.79Å; Q726-L785 HydrophobicContact CB-CD1 4.05Å; Q726-L785 HydrophobicContact CB-CD2 4.32Å; L727-L785 HydrophobicContact CB-CD2 3.95Å; L727-L785 HydrophobicContact CD1-CD2 4.46Å; L733-L785 HydrophobicContact CD2-CB 3.95Å; L733-L785 HydrophobicContact CD2-CD1 4.41Å; L733-L785 HydrophobicContact CD2-CD2 4.29Å; L733-L785 HydrophobicContact CD2-CG 4.44Å; L736-L785 HydrophobicContact CD2-CB 4.38Å; L736-L785 HydrophobicContact CD2-CD1 4.06Å; D782-L785 HydrophobicContact CB-CB 4.03Å; D782-L785 PolarHBondContact O-N 3.41Å; D782-L785 PolarHBondContact OD1-N 2.83Å; L785-Q787 PolarHBondContact O-N 3.01Å; L785-S788 WeakPolarHBondContact O-CB 3.32Å; L785-S788 PolarHBondContact O-N 3.18Å; L785-S788 VanDerWaalsContact O-N 3.15Å; L785-K789 WeakPolarHBondContact O-CG 3.45Å; L785-K789 PolarHBondContact O-N 3.41Å |
| 786 | F | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.7 | -48.6 | 175 | 174.3 | -114.1 | 0 | 0 | 0 | 112.6 | A717 F718 Q721 A749 F781 D782 K784 S788 K789 L790 | A717-F786 HydrophobicContact CB-CE2 4.19Å; F718-F786 HydrophobicContact CB-CE2 4.44Å; F718-F786 AromaticContact CD1-CD2 3.99Å; F718-F786 HydrophobicContact CD1-CD2 3.99Å; F718-F786 AromaticContact CD1-CE2 3.82Å; F718-F786 HydrophobicContact CD1-CE2 3.82Å; F718-F786 HydrophobicContact CD1-CZ 4.42Å; F718-F786 HydrophobicContact CD2-CD2 4.48Å; F718-F786 AromaticContact CD2-CE2 3.57Å; F718-F786 HydrophobicContact CD2-CE2 3.57Å; F718-F786 AromaticContact CD2-CZ 3.96Å; F718-F786 HydrophobicContact CD2-CZ 3.96Å; F718-F786 HydrophobicContact CE1-CD2 4.19Å; F718-F786 HydrophobicContact CE1-CE1 4.47Å; F718-F786 AromaticContact CE1-CE2 3.89Å; F718-F786 HydrophobicContact CE1-CE2 3.89Å; F718-F786 HydrophobicContact CE1-CZ 4.04Å; F718-F786 HydrophobicContact CE2-CE1 4.46Å; F718-F786 AromaticContact CE2-CE2 3.63Å; F718-F786 HydrophobicContact CE2-CE2 3.63Å; F718-F786 AromaticContact CE2-CZ 3.51Å; F718-F786 HydrophobicContact CE2-CZ 3.51Å; F718-F786 HydrophobicContact CG-CD2 4.14Å; F718-F786 AromaticContact CG-CE2 3.65Å; F718-F786 HydrophobicContact CG-CE2 3.65Å; F718-F786 HydrophobicContact CG-CZ 4.38Å; F718-F786 HydrophobicContact CZ-CE1 4.11Å; F718-F786 AromaticContact CZ-CE2 3.8Å; F718-F786 HydrophobicContact CZ-CE2 3.8Å; F718-F786 AromaticContact CZ-CZ 3.56Å; F718-F786 HydrophobicContact CZ-CZ 3.56Å; Q721-F786 HydrophobicContact CG-CB 4.17Å; Q721-F786 HydrophobicContact CG-CD2 4.35Å; A749-F786 HydrophobicContact CB-CD1 4.2Å; A749-F786 HydrophobicContact CB-CE1 4.15Å; F781-F786 HydrophobicContact CE2-CB 3.67Å; F781-F786 HydrophobicContact CE2-CD1 4.14Å; F781-F786 HydrophobicContact CE2-CD2 4.24Å; F781-F786 AromaticContact CE2-CG 3.74Å; F781-F786 HydrophobicContact CE2-CG 3.74Å; F781-F786 HydrophobicContact CZ-CB 3.93Å; F781-F786 HydrophobicContact CZ-CD1 4.14Å; F781-F786 HydrophobicContact CZ-CG 4.12Å; D782-F786 VanDerWaalsContact O-CB 3.26Å; D782-F786 WeakPolarHBondContact O-CB 3.4Å; D782-F786 PolarHBondContact O-N 2.66Å; K784-F786 PolarHBondContact O-N 3.19Å; F786-S788 VanDerWaalsContact C-N 3.33Å; F786-S788 PolarHBondContact O-N 2.98Å; F786-K789 PolarHBondContact O-N 3.36Å; F786-L790 HydrophobicContact CE1-CD2 4.14Å; F786-L790 HydrophobicContact CZ-CD2 4.08Å; F786-L790 VanDerWaalsContact O-CB 3.23Å; F786-L790 WeakPolarHBondContact O-CB 3.47Å; F786-L790 PolarHBondContact O-N 3.43Å |
| 787 | Q | 96.1 | Very high | 93.3 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62 | -38.9 | 175.6 | -74.3 | -84.1 | -16.2 | 0 | 0 | 112.1 | C80 V738 D742 G783 K784 L785 L790 A791 | C80-Q787 HydrophobicContact CB-CG 3.89Å; V738-Q787 HydrophobicContact CG1-CB 3.95Å; V738-Q787 HydrophobicContact CG2-CB 3.89Å; D742-Q787 PolarHBondContact O-NE2 3.24Å; D742-Q787 VanDerWaalsContact O-NE2 3.14Å; G783-Q787 WeakPolarHBondContact O-CG 3.44Å; G783-Q787 PolarHBondContact O-N 3.33Å; K784-Q787 PolarHBondContact O-N 3.09Å; L785-Q787 PolarHBondContact O-N 3.01Å; Q787-L790 PolarHBondContact O-N 3.48Å; Q787-A791 WeakPolarHBondContact O-CB 3.32Å; Q787-A791 PolarHBondContact O-N 2.89Å |
| 788 | S | 95.1 | Very high | 92.9 | Very high | 21 Ų | 21 | 37.2 Ų | 37.2 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.3 | -35.6 | 176.4 | -177.4 | 0 | 0 | 0 | 0 | 113.6 | K784 L785 F786 R792 | K784-S788 WeakPolarHBondContact O-CB 3.47Å; K784-S788 PolarHBondContact O-N 2.9Å; L785-S788 WeakPolarHBondContact O-CB 3.32Å; L785-S788 PolarHBondContact O-N 3.18Å; L785-S788 VanDerWaalsContact O-N 3.15Å; F786-S788 VanDerWaalsContact C-N 3.33Å; F786-S788 PolarHBondContact O-N 2.98Å; S788-R792 PolarHBondContact O-NE 3.43Å; S788-R792 PolarHBondContact O-NH2 3.22Å; S788-R792 PolarHBondContact OG-NH2 2.84Å |
| 789 | K | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -72.9 | -45.8 | 171 | -58.2 | -53.4 | -173.5 | 173.7 | 0 | 110.8 | A717 Q721 L785 F786 A791 R792 A793 M803 E805 | A717-K789 HydrophobicContact CB-CB 4.2Å; Q721-K789 HydrophobicContact CB-CG 3.81Å; L785-K789 WeakPolarHBondContact O-CG 3.45Å; L785-K789 PolarHBondContact O-N 3.41Å; F786-K789 PolarHBondContact O-N 3.36Å; K789-A791 VanDerWaalsContact C-N 3.31Å; K789-A791 PolarHBondContact O-N 2.86Å; K789-R792 CarbonylContact O-C 3.2Å; K789-R792 WeakPolarHBondContact O-CA 3.49Å; K789-R792 WeakPolarHBondContact O-CB 3.21Å; K789-R792 PolarHBondContact O-N 3.49Å; K789-A793 PolarHBondContact O-N 2.91Å; K789-M803 HydrophobicContact CB-CG 4.32Å; K789-M803 HydrophobicContact CB-SD 4.17Å; K789-M803 HydrophobicContact CD-CB 4.43Å; K789-M803 WeakPolarHBondContact CD-O 3.15Å; K789-M803 WeakPolarHBondContact CE-O 3.47Å; K789-M803 PolarHBondContact NZ-O 2.7Å; K789-M803 VanDerWaalsContact O-SD 3.36Å; K789-E805 IonicContact NZ-OE1 3.59Å; K789-E805 PolarHBondContact NZ-OE1 3.43Å |
| 790 | L | 96.1 | Very high | 92.7 | Very high | 21 Ų | 21 | 36.4 Ų | 36.4 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.8 | -39.2 | -178.5 | -176.7 | 64.6 | 0 | 0 | 0 | 112.6 | E714 A717 D742 G745 F786 Q787 R792 A793 | E714-L790 HydrophobicContact CB-CD1 4.45Å; E714-L790 HydrophobicContact CG-CD1 4.06Å; A717-L790 HydrophobicContact CB-CB 4.33Å; A717-L790 HydrophobicContact CB-CD1 4.34Å; D742-L790 HydrophobicContact CB-CD2 4.46Å; G745-L790 VanDerWaalsContact CA-CD2 3.5Å; F786-L790 HydrophobicContact CE1-CD2 4.14Å; F786-L790 HydrophobicContact CZ-CD2 4.08Å; F786-L790 VanDerWaalsContact O-CB 3.23Å; F786-L790 WeakPolarHBondContact O-CB 3.47Å; F786-L790 PolarHBondContact O-N 3.43Å; Q787-L790 PolarHBondContact O-N 3.48Å; L790-R792 PolarHBondContact O-N 3.3Å; L790-R792 VanDerWaalsContact O-N 3.16Å; L790-A793 HydrophobicContact CD1-CB 4.39Å; L790-A793 VanDerWaalsContact O-CB 3.3Å; L790-A793 WeakPolarHBondContact O-CB 3.43Å; L790-A793 PolarHBondContact O-N 3.32Å |
| 791 | A | 93.7 | Very high | 92.7 | Very high | 88 Ų | 88 | 38.7 Ų | 38.7 | 73% | 0.727 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -18.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q787 K789 | Q787-A791 WeakPolarHBondContact O-CB 3.32Å; Q787-A791 PolarHBondContact O-N 2.89Å; K789-A791 VanDerWaalsContact C-N 3.31Å; K789-A791 PolarHBondContact O-N 2.86Å |
| 792 | R | 91.8 | Very high | 92.5 | Very high | 78 Ų | 78 | 42.7 Ų | 42.7 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -5.6 | 175.1 | -68.8 | 176.1 | -92.4 | 177.9 | -9.8 | 113.3 | S788 K789 L790 A794 D802 M803 | S788-R792 PolarHBondContact O-NE 3.43Å; S788-R792 PolarHBondContact O-NH2 3.22Å; S788-R792 PolarHBondContact OG-NH2 2.84Å; K789-R792 CarbonylContact O-C 3.2Å; K789-R792 WeakPolarHBondContact O-CA 3.49Å; K789-R792 WeakPolarHBondContact O-CB 3.21Å; K789-R792 PolarHBondContact O-N 3.49Å; L790-R792 PolarHBondContact O-N 3.3Å; L790-R792 VanDerWaalsContact O-N 3.16Å; R792-A794 PolarHBondContact O-N 2.96Å; R792-A794 VanDerWaalsContact O-N 3.17Å; R792-D802 WeakPolarHBondContact CD-OD2 3.32Å; R792-D802 PolarHBondContact NH1-O 3.08Å; R792-M803 HydrophobicContact CB-CG 4.05Å |
| 793 | A | 91.3 | Very high | 92.5 | Very high | 17 Ų | 17 | 42.6 Ų | 42.6 | 14% | 0.14 | 23% | 0.232 | C | C | . | . | trans | -77.5 | 104.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | H713 A717 K789 L790 M803 | H713-A793 HydrophobicContact CB-CB 4.05Å; H713-A793 PolarHBondContact CD2-O 3Å; A717-A793 HydrophobicContact CB-CB 4.19Å; K789-A793 PolarHBondContact O-N 2.91Å; L790-A793 HydrophobicContact CD1-CB 4.39Å; L790-A793 VanDerWaalsContact O-CB 3.3Å; L790-A793 WeakPolarHBondContact O-CB 3.43Å; L790-A793 PolarHBondContact O-N 3.32Å; A793-M803 HydrophobicContact CB-CE 4.07Å; A793-M803 HydrophobicContact CB-SD 3.58Å; A793-M803 VanDerWaalsContact CB-SD 3.58Å | ||
| 794 | A | 85.8 | Confident | 92.5 | Very high | 40 Ų | 40 | 42.6 Ų | 42.6 | 33% | 0.331 | 23% | 0.231 | S | C | . | . | trans | -109.9 | -176.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112 | H713 R792 D796 A799 | H713-A794 WeakPolarHBondContact CB-O 3.34Å; R792-A794 PolarHBondContact O-N 2.96Å; R792-A794 VanDerWaalsContact O-N 3.17Å; A794-D796 WeakPolarHBondContact CB-OD2 3.4Å; A794-A799 HydrophobicContact CB-CB 3.52Å | ||
| 795 | R | 79.3 | Confident | 92.5 | Very high | 181 Ų | 181 | 44.3 Ų | 44.3 | 68% | 0.683 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -91.6 | -10.3 | -172.5 | -67.3 | -176 | 176 | -166.7 | -3.1 | 114.5 | ||
| 796 | D | 87.1 | Confident | 92.5 | Very high | 86 Ų | 86 | 46.9 Ų | 46.9 | 46% | 0.46 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -93.6 | 171.9 | -178 | 59.4 | 85.9 | 0 | 0 | 0 | 113.1 | A794 A798 A799 | A794-D796 WeakPolarHBondContact CB-OD2 3.4Å; D796-A798 WeakPolarHBondContact OD1-CA 3.03Å; D796-A798 WeakPolarHBondContact OD1-CB 3.45Å; D796-A798 PolarHBondContact OD1-N 3.45Å; D796-A799 PolarHBondContact OD1-N 2.94Å |
| 797 | R | 86 | Confident | 92.4 | Very high | 116 Ų | 116 | 50.8 Ų | 50.8 | 44% | 0.438 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -72.1 | -30.5 | 179.1 | -168.7 | -174.2 | -174.4 | 82.9 | 0.5 | 112.7 | L800 L801 E808 E815 | R797-L800 PolarHBondContact O-N 3.32Å; R797-L801 PolarHBondContact O-N 3.09Å; R797-E808 IonicContact CZ-OE2 2.68Å; R797-E808 IonicContact NE-OE1 3.59Å; R797-E808 PolarHBondContact NE-OE1 3.12Å; R797-E808 IonicContact NE-OE2 2.62Å; R797-E808 IonicContact NH2-OE1 2.73Å; R797-E808 IonicContact NH2-OE2 3.76Å; R797-E808 PolarHBondContact NH2-OE2 2.88Å; R797-E815 IonicContact CZ-OE2 3.84Å; R797-E815 IonicContact NH1-OE1 2.76Å; R797-E815 IonicContact NH1-OE2 3.57Å; R797-E815 PolarHBondContact NH1-OE2 3.27Å; R797-E815 IonicContact NH2-OE2 3.49Å |
| 798 | A | 89.4 | Confident | 92.5 | Very high | 71 Ų | 71 | 55 Ų | 55 | 59% | 0.587 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -67.5 | -41.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111 | D796 L800 L801 D802 | D796-A798 WeakPolarHBondContact OD1-CA 3.03Å; D796-A798 WeakPolarHBondContact OD1-CB 3.45Å; D796-A798 PolarHBondContact OD1-N 3.45Å; A798-L800 VanDerWaalsContact C-N 3.34Å; A798-L800 PolarHBondContact O-N 3.3Å; A798-L801 PolarHBondContact O-N 2.98Å; A798-D802 PolarHBondContact O-N 2.6Å |
| 799 | A | 91.1 | Very high | 92.6 | Very high | 12 Ų | 12 | 60.2 Ų | 60.2 | 10% | 0.099 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.6 | -34.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A794 D796 M803 | A794-A799 HydrophobicContact CB-CB 3.52Å; D796-A799 PolarHBondContact OD1-N 2.94Å; A799-M803 WeakPolarHBondContact O-CB 3.43Å; A799-M803 WeakPolarHBondContact O-CG 3.45Å; A799-M803 PolarHBondContact O-N 3.42Å |
| 800 | L | 95.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 172.6 | 177.8 | 56.4 | 0 | 0 | 0 | 111.8 | D716 R797 A798 M803 C804 V811 V814 E815 | D716-L800 HydrophobicContact CB-CD1 4.25Å; R797-L800 PolarHBondContact O-N 3.32Å; A798-L800 VanDerWaalsContact C-N 3.34Å; A798-L800 PolarHBondContact O-N 3.3Å; L800-M803 HydrophobicContact CD1-CE 4.14Å; L800-M803 PolarHBondContact O-N 2.67Å; L800-C804 VanDerWaalsContact O-CB 3.23Å; L800-C804 WeakPolarHBondContact O-CB 3.43Å; L800-C804 PolarHBondContact O-N 2.94Å; L800-C804 PolarHBondContact O-SG 2.91Å; L800-V811 HydrophobicContact CD2-CG1 3.93Å; L800-V811 HydrophobicContact CG-CG1 4.1Å; L800-V811 HydrophobicContact CG-CG2 4.39Å; L800-V814 HydrophobicContact CD1-CB 4.38Å; L800-V814 HydrophobicContact CD1-CG1 3.87Å; L800-E815 HydrophobicContact CD2-CG 4.08Å |
| 801 | L | 96.2 | Very high | 92.7 | Very high | 50 Ų | 50 | 59.8 Ų | 59.8 | 26% | 0.262 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 175.7 | -175.3 | 62.5 | 0 | 0 | 0 | 112 | R797 A798 C804 E805 G806 E808 V811 | R797-L801 PolarHBondContact O-N 3.09Å; A798-L801 PolarHBondContact O-N 2.98Å; L801-C804 CarbonylContact O-C 3.59Å; L801-C804 WeakPolarHBondContact O-CA 3.47Å; L801-C804 PolarHBondContact O-N 2.72Å; L801-E805 PolarHBondContact O-N 3.09Å; L801-E805 VanDerWaalsContact O-N 3.12Å; L801-G806 PolarHBondContact O-N 3.37Å; L801-E808 HydrophobicContact CD1-CG 3.99Å; L801-V811 HydrophobicContact CB-CG2 4.3Å; L801-V811 HydrophobicContact CD1-CG2 3.75Å |
| 802 | D | 94.1 | Very high | 92.9 | Very high | 83 Ų | 83 | 57.7 Ų | 57.7 | 44% | 0.444 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 173.3 | 175.7 | 52.1 | 0 | 0 | 0 | 112.6 | R792 A798 C804 E805 | R792-D802 WeakPolarHBondContact CD-OD2 3.32Å; R792-D802 PolarHBondContact NH1-O 3.08Å; A798-D802 PolarHBondContact O-N 2.6Å; D802-C804 PolarHBondContact O-N 3.32Å; D802-E805 PolarHBondContact O-N 2.91Å |
| 803 | M | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.2 | -33.4 | 169.1 | -76 | -167.9 | -66 | 0 | 0 | 112.1 | D716 A717 A720 K789 R792 A793 A799 L800 E805 | D716-M803 HydrophobicContact CB-CE 4.02Å; A717-M803 HydrophobicContact CB-SD 3.96Å; A720-M803 HydrophobicContact CB-CB 4.02Å; K789-M803 HydrophobicContact CB-CG 4.32Å; K789-M803 HydrophobicContact CB-SD 4.17Å; K789-M803 HydrophobicContact CD-CB 4.43Å; K789-M803 WeakPolarHBondContact CD-O 3.15Å; K789-M803 WeakPolarHBondContact CE-O 3.47Å; K789-M803 PolarHBondContact NZ-O 2.7Å; K789-M803 VanDerWaalsContact O-SD 3.36Å; R792-M803 HydrophobicContact CB-CG 4.05Å; A793-M803 HydrophobicContact CB-CE 4.07Å; A793-M803 HydrophobicContact CB-SD 3.58Å; A793-M803 VanDerWaalsContact CB-SD 3.58Å; A799-M803 WeakPolarHBondContact O-CB 3.43Å; A799-M803 WeakPolarHBondContact O-CG 3.45Å; A799-M803 PolarHBondContact O-N 3.42Å; L800-M803 HydrophobicContact CD1-CE 4.14Å; L800-M803 PolarHBondContact O-N 2.67Å; M803-E805 VanDerWaalsContact C-N 3.28Å; M803-E805 PolarHBondContact O-N 3.1Å |
| 804 | C | 96.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.007 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 18 | 175 | -67.2 | 0 | 0 | 0 | 0 | 113.8 | L800 L801 D802 G806 Q807 L810 V811 | L800-C804 VanDerWaalsContact O-CB 3.23Å; L800-C804 WeakPolarHBondContact O-CB 3.43Å; L800-C804 PolarHBondContact O-N 2.94Å; L800-C804 PolarHBondContact O-SG 2.91Å; L801-C804 CarbonylContact O-C 3.59Å; L801-C804 WeakPolarHBondContact O-CA 3.47Å; L801-C804 PolarHBondContact O-N 2.72Å; D802-C804 PolarHBondContact O-N 3.32Å; C804-G806 PolarHBondContact O-N 2.95Å; C804-G806 VanDerWaalsContact O-N 3.17Å; C804-Q807 WeakPolarHBondContact O-CB 3.4Å; C804-Q807 PolarHBondContact O-N 3.27Å; C804-L810 HydrophobicContact CB-CB 3.89Å; C804-V811 HydrophobicContact CB-CG2 3.57Å |
| 805 | E | 94.1 | Very high | 94 | Very high | 58 Ų | 58 | 57.7 Ų | 57.7 | 27% | 0.271 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 30.3 | 170.8 | -60.8 | 155.9 | -123.1 | 0 | 0 | 113.7 | S724 Q726 K789 L801 D802 M803 Q807 | S724-E805 WeakPolarHBondContact CB-OE1 3.42Å; S724-E805 PolarHBondContact OG-OE1 2.79Å; Q726-E805 PolarHBondContact NE2-OE2 3.42Å; K789-E805 IonicContact NZ-OE1 3.59Å; K789-E805 PolarHBondContact NZ-OE1 3.43Å; L801-E805 PolarHBondContact O-N 3.09Å; L801-E805 VanDerWaalsContact O-N 3.12Å; D802-E805 PolarHBondContact O-N 2.91Å; M803-E805 VanDerWaalsContact C-N 3.28Å; M803-E805 PolarHBondContact O-N 3.1Å; E805-Q807 VanDerWaalsContact C-N 3.27Å; E805-Q807 PolarHBondContact O-N 2.94Å |
| 806 | G | 94.6 | Very high | 94.9 | Very high | 54 Ų | 54 | 53.3 Ų | 53.3 | 56% | 0.557 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 0.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L801 C804 E808 | L801-G806 PolarHBondContact O-N 3.37Å; C804-G806 PolarHBondContact O-N 2.95Å; C804-G806 VanDerWaalsContact O-N 3.17Å; G806-E808 PolarHBondContact O-N 3.07Å |
| 807 | Q | 96.6 | Very high | 95.5 | Very high | 82 Ų | 82 | 49.3 Ų | 49.3 | 38% | 0.383 | 26% | 0.261 | S | S | . | . | trans | -94.1 | 102.2 | -172.4 | -56 | -179.6 | 32.4 | 0 | 0 | 111.8 | C804 E805 E809 L810 V811 | C804-Q807 WeakPolarHBondContact O-CB 3.4Å; C804-Q807 PolarHBondContact O-N 3.27Å; E805-Q807 VanDerWaalsContact C-N 3.27Å; E805-Q807 PolarHBondContact O-N 2.94Å; Q807-E809 PolarHBondContact O-N 3.07Å; Q807-E809 VanDerWaalsContact O-N 3.15Å; Q807-L810 HydrophobicContact CB-CB 4.14Å; Q807-L810 HydrophobicContact CB-CD1 4.07Å; Q807-L810 HydrophobicContact CB-CG 3.81Å; Q807-L810 HydrophobicContact CG-CD1 4.37Å; Q807-L810 PolarHBondContact O-N 2.77Å; Q807-V811 PolarHBondContact O-N 3.5Å; Q807-V811 VanDerWaalsContact O-N 3.09Å | ||
| 808 | E | 96.9 | Very high | 96 | Very high | 91 Ų | 91 | 44.9 Ų | 44.9 | 43% | 0.425 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.2 | -25.2 | 175.5 | -79.2 | -70.8 | 175 | 0 | 0 | 113.3 | R797 L801 G806 S812 | R797-E808 IonicContact CZ-OE2 2.68Å; R797-E808 IonicContact NE-OE1 3.59Å; R797-E808 PolarHBondContact NE-OE1 3.12Å; R797-E808 IonicContact NE-OE2 2.62Å; R797-E808 IonicContact NH2-OE1 2.73Å; R797-E808 IonicContact NH2-OE2 3.76Å; R797-E808 PolarHBondContact NH2-OE2 2.88Å; L801-E808 HydrophobicContact CD1-CG 3.99Å; G806-E808 PolarHBondContact O-N 3.07Å; E808-S812 WeakPolarHBondContact O-CB 3.2Å; E808-S812 PolarHBondContact O-N 3.36Å |
| 809 | E | 97 | Very high | 96.4 | Very high | 131 Ų | 131 | 47.7 Ų | 47.7 | 61% | 0.612 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -62.6 | -45.2 | 169.2 | -87 | -158 | -148.9 | 0 | 0 | 113.4 | Q807 V811 S812 K813 | Q807-E809 PolarHBondContact O-N 3.07Å; Q807-E809 VanDerWaalsContact O-N 3.15Å; E809-V811 VanDerWaalsContact C-N 3.34Å; E809-S812 WeakPolarHBondContact O-CB 3.26Å; E809-S812 PolarHBondContact O-N 2.95Å; E809-K813 WeakPolarHBondContact O-CD 3.16Å; E809-K813 VanDerWaalsContact O-CG 3.28Å; E809-K813 WeakPolarHBondContact O-CG 3.32Å; E809-K813 PolarHBondContact O-N 2.7Å; E809-K813 IonicContact OE2-NZ 3.05Å; E809-K813 PolarHBondContact OE2-NZ 2.96Å |
| 810 | L | 97.1 | Very high | 96.7 | Very high | 12 Ų | 12 | 47.1 Ų | 47.1 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.9 | -38.5 | 178.7 | -62.2 | -171.2 | 0 | 0 | 0 | 110 | V723 C804 Q807 S812 K813 V814 | V723-L810 HydrophobicContact CB-CD2 4.27Å; V723-L810 HydrophobicContact CG2-CB 4.13Å; V723-L810 HydrophobicContact CG2-CD2 4.17Å; V723-L810 WeakPolarHBondContact O-CD2 3.45Å; C804-L810 HydrophobicContact CB-CB 3.89Å; Q807-L810 HydrophobicContact CB-CB 4.14Å; Q807-L810 HydrophobicContact CB-CD1 4.07Å; Q807-L810 HydrophobicContact CB-CG 3.81Å; Q807-L810 HydrophobicContact CG-CD1 4.37Å; Q807-L810 PolarHBondContact O-N 2.77Å; L810-S812 PolarHBondContact O-N 3.13Å; L810-K813 HydrophobicContact CD2-CD 4.04Å; L810-K813 PolarHBondContact O-N 2.64Å; L810-V814 WeakPolarHBondContact O-CG2 3.23Å; L810-V814 PolarHBondContact O-N 3.42Å |
| 811 | V | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -54.8 | -53.8 | 168.9 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | L800 L801 C804 Q807 E809 K813 V814 E815 | L800-V811 HydrophobicContact CD2-CG1 3.93Å; L800-V811 HydrophobicContact CG-CG1 4.1Å; L800-V811 HydrophobicContact CG-CG2 4.39Å; L801-V811 HydrophobicContact CB-CG2 4.3Å; L801-V811 HydrophobicContact CD1-CG2 3.75Å; C804-V811 HydrophobicContact CB-CG2 3.57Å; Q807-V811 PolarHBondContact O-N 3.5Å; Q807-V811 VanDerWaalsContact O-N 3.09Å; E809-V811 VanDerWaalsContact C-N 3.34Å; V811-K813 VanDerWaalsContact C-N 3.29Å; V811-K813 PolarHBondContact O-N 2.69Å; V811-V814 PolarHBondContact O-N 3.25Å; V811-E815 HydrophobicContact CG1-CG 3.98Å; V811-E815 VanDerWaalsContact O-CG 3.27Å; V811-E815 WeakPolarHBondContact O-CG 3.13Å; V811-E815 PolarHBondContact O-N 3.43Å |
| 812 | S | 97.6 | Very high | 96.7 | Very high | 45 Ų | 45 | 46.9 Ų | 46.9 | 32% | 0.315 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -55.6 | -40.7 | 178.9 | -167.2 | 0 | 0 | 0 | 0 | 113 | E808 E809 L810 E815 K816 | E808-S812 WeakPolarHBondContact O-CB 3.2Å; E808-S812 PolarHBondContact O-N 3.36Å; E809-S812 WeakPolarHBondContact O-CB 3.26Å; E809-S812 PolarHBondContact O-N 2.95Å; L810-S812 PolarHBondContact O-N 3.13Å; S812-E815 PolarHBondContact O-N 3.43Å; S812-K816 WeakPolarHBondContact O-CB 3.27Å; S812-K816 WeakPolarHBondContact O-CD 3.36Å; S812-K816 VanDerWaalsContact O-CG 3.23Å; S812-K816 WeakPolarHBondContact O-CG 3.5Å; S812-K816 PolarHBondContact O-N 3.45Å; S812-K816 VanDerWaalsContact O-N 3.09Å; S812-K816 WeakPolarHBondContact OG-CE 3.18Å |
| 813 | K | 97.6 | Very high | 96.8 | Very high | 84 Ų | 84 | 47 Ų | 47 | 37% | 0.365 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.7 | -46.4 | 175.3 | -68.4 | 158.1 | -166.4 | 162.7 | 0 | 111.1 | V723 E809 L810 V811 K816 M817 | V723-K813 HydrophobicContact CG1-CB 4.36Å; E809-K813 WeakPolarHBondContact O-CD 3.16Å; E809-K813 VanDerWaalsContact O-CG 3.28Å; E809-K813 WeakPolarHBondContact O-CG 3.32Å; E809-K813 PolarHBondContact O-N 2.7Å; E809-K813 IonicContact OE2-NZ 3.05Å; E809-K813 PolarHBondContact OE2-NZ 2.96Å; L810-K813 HydrophobicContact CD2-CD 4.04Å; L810-K813 PolarHBondContact O-N 2.64Å; V811-K813 VanDerWaalsContact C-N 3.29Å; V811-K813 PolarHBondContact O-N 2.69Å; K813-K816 PolarHBondContact O-N 3.02Å; K813-M817 WeakPolarHBondContact O-CG 3.43Å; K813-M817 PolarHBondContact O-N 2.66Å |
| 814 | V | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 175.1 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | L719 A720 V723 L800 L810 V811 K816 M817 R818 | L719-V814 HydrophobicContact CB-CB 4.35Å; L719-V814 HydrophobicContact CB-CG1 3.77Å; L719-V814 HydrophobicContact CB-CG2 4.04Å; L719-V814 HydrophobicContact CD1-CG1 4.18Å; A720-V814 HydrophobicContact CB-CG2 4.3Å; V723-V814 HydrophobicContact CG2-CG2 3.85Å; L800-V814 HydrophobicContact CD1-CB 4.38Å; L800-V814 HydrophobicContact CD1-CG1 3.87Å; L810-V814 WeakPolarHBondContact O-CG2 3.23Å; L810-V814 PolarHBondContact O-N 3.42Å; V811-V814 PolarHBondContact O-N 3.25Å; V814-K816 PolarHBondContact O-N 3.39Å; V814-M817 PolarHBondContact O-N 2.87Å; V814-R818 VanDerWaalsContact O-CB 3.24Å; V814-R818 WeakPolarHBondContact O-CB 3.24Å; V814-R818 PolarHBondContact O-N 3.12Å |
| 815 | E | 97.5 | Very high | 96.1 | Very high | 50 Ų | 50 | 51.6 Ų | 51.6 | 23% | 0.234 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.8 | -38.6 | -177.9 | -59.6 | -149.3 | 105.3 | 0 | 0 | 112.3 | R797 L800 V811 S812 R818 Q819 | R797-E815 IonicContact CZ-OE2 3.84Å; R797-E815 IonicContact NH1-OE1 2.76Å; R797-E815 IonicContact NH1-OE2 3.57Å; R797-E815 PolarHBondContact NH1-OE2 3.27Å; R797-E815 IonicContact NH2-OE2 3.49Å; L800-E815 HydrophobicContact CD2-CG 4.08Å; V811-E815 HydrophobicContact CG1-CG 3.98Å; V811-E815 VanDerWaalsContact O-CG 3.27Å; V811-E815 WeakPolarHBondContact O-CG 3.13Å; V811-E815 PolarHBondContact O-N 3.43Å; S812-E815 PolarHBondContact O-N 3.43Å; E815-R818 VanDerWaalsContact CD-NH2 3.35Å; E815-R818 VanDerWaalsContact CG-NH2 3.31Å; E815-R818 IonicContact OE1-CZ 2.64Å; E815-R818 IonicContact OE1-NH1 3.95Å; E815-R818 IonicContact OE1-NH2 2.67Å; E815-R818 PolarHBondContact OE1-NH2 2.86Å; E815-Q819 WeakPolarHBondContact O-CB 3.19Å; E815-Q819 PolarHBondContact O-N 2.87Å |
| 816 | K | 98.1 | Very high | 95.1 | Very high | 90 Ų | 90 | 55.9 Ų | 55.9 | 39% | 0.391 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.5 | -48 | 174.5 | -70.3 | 166.9 | -175 | 174 | 0 | 112.4 | Q686 S812 K813 V814 R818 Q819 A820 | Q686-K816 HydrophobicContact CB-CB 4.39Å; S812-K816 WeakPolarHBondContact O-CB 3.27Å; S812-K816 WeakPolarHBondContact O-CD 3.36Å; S812-K816 VanDerWaalsContact O-CG 3.23Å; S812-K816 WeakPolarHBondContact O-CG 3.5Å; S812-K816 PolarHBondContact O-N 3.45Å; S812-K816 VanDerWaalsContact O-N 3.09Å; S812-K816 WeakPolarHBondContact OG-CE 3.18Å; K813-K816 PolarHBondContact O-N 3.02Å; V814-K816 PolarHBondContact O-N 3.39Å; K816-R818 VanDerWaalsContact C-N 3.31Å; K816-R818 PolarHBondContact O-N 2.89Å; K816-Q819 WeakPolarHBondContact O-CB 3.18Å; K816-Q819 PolarHBondContact O-N 2.91Å; K816-A820 PolarHBondContact O-N 3.47Å |
| 817 | M | 98.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61 | -41.6 | 176.2 | -72 | -168.9 | -66.3 | 0 | 0 | 111.7 | Q686 V687 L691 L719 V723 K813 V814 Q819 A820 I821 | Q686-M817 WeakPolarHBondContact O-CG 3.03Å; Q686-M817 PolarHBondContact O-N 2.82Å; V687-M817 HydrophobicContact CG2-CG 4.33Å; L691-M817 HydrophobicContact CB-SD 4.4Å; L691-M817 HydrophobicContact CD1-CE 4.16Å; L691-M817 HydrophobicContact CD1-SD 3.49Å; L691-M817 WeakPolarHBondContact CD1-SD 3.2Å; L719-M817 HydrophobicContact CB-CE 4.12Å; L719-M817 HydrophobicContact CD1-CB 4.3Å; L719-M817 HydrophobicContact CD2-CB 4.03Å; L719-M817 HydrophobicContact CD2-CE 3.92Å; L719-M817 HydrophobicContact CD2-SD 4.18Å; V723-M817 HydrophobicContact CG1-CE 3.43Å; V723-M817 VanDerWaalsContact CG1-CE 3.43Å; K813-M817 WeakPolarHBondContact O-CG 3.43Å; K813-M817 PolarHBondContact O-N 2.66Å; V814-M817 PolarHBondContact O-N 2.87Å; M817-Q819 VanDerWaalsContact C-N 3.35Å; M817-Q819 PolarHBondContact O-N 3.48Å; M817-A820 PolarHBondContact O-N 3.21Å; M817-I821 WeakPolarHBondContact O-CB 3.48Å; M817-I821 VanDerWaalsContact O-CG1 3.26Å; M817-I821 WeakPolarHBondContact O-CG1 3.31Å; M817-I821 PolarHBondContact O-N 2.77Å |
| 818 | R | 97.7 | Very high | 91.6 | Very high | 23 Ų | 23 | 56.9 Ų | 56.9 | 9% | 0.087 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 175.1 | -176 | -178.6 | 66.2 | -138.5 | -6.5 | 111.7 | R712 L715 D716 L719 V814 E815 K816 I821 L822 | R712-R818 VanDerWaalsContact NH2-NH1 3.19Å; L715-R818 HydrophobicContact CD2-CG 4.12Å; D716-R818 VanDerWaalsContact OD1-CD 3.25Å; D716-R818 WeakPolarHBondContact OD1-CD 3.29Å; D716-R818 IonicContact OD1-CZ 2.68Å; D716-R818 IonicContact OD1-NE 2.94Å; D716-R818 IonicContact OD1-NH1 3.61Å; D716-R818 PolarHBondContact OD1-NH1 3.41Å; D716-R818 IonicContact OD2-NH1 3.7Å; D716-R818 PolarHBondContact OD2-NH1 3.15Å; L719-R818 HydrophobicContact CD1-CB 3.84Å; V814-R818 VanDerWaalsContact O-CB 3.24Å; V814-R818 WeakPolarHBondContact O-CB 3.24Å; V814-R818 PolarHBondContact O-N 3.12Å; E815-R818 VanDerWaalsContact CD-NH2 3.35Å; E815-R818 VanDerWaalsContact CG-NH2 3.31Å; E815-R818 IonicContact OE1-CZ 2.64Å; E815-R818 IonicContact OE1-NH1 3.95Å; E815-R818 IonicContact OE1-NH2 2.67Å; E815-R818 PolarHBondContact OE1-NH2 2.86Å; K816-R818 VanDerWaalsContact C-N 3.31Å; K816-R818 PolarHBondContact O-N 2.89Å; R818-I821 PolarHBondContact O-N 3.48Å; R818-L822 HydrophobicContact CG-CD1 3.97Å; R818-L822 HydrophobicContact CG-CG 4.49Å; R818-L822 WeakPolarHBondContact O-CB 3.32Å; R818-L822 VanDerWaalsContact O-CG 3.23Å; R818-L822 WeakPolarHBondContact O-CG 3.19Å; R818-L822 PolarHBondContact O-N 2.98Å |
| 819 | Q | 96.8 | Very high | 89.2 | Confident | 130 Ų | 130 | 63.1 Ų | 63.1 | 61% | 0.607 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.3 | -47.4 | 174.9 | -176.9 | 174.7 | -4.5 | 0 | 0 | 111.3 | E815 K816 M817 L822 E823 | E815-Q819 WeakPolarHBondContact O-CB 3.19Å; E815-Q819 PolarHBondContact O-N 2.87Å; K816-Q819 WeakPolarHBondContact O-CB 3.18Å; K816-Q819 PolarHBondContact O-N 2.91Å; M817-Q819 VanDerWaalsContact C-N 3.35Å; M817-Q819 PolarHBondContact O-N 3.48Å; Q819-L822 PolarHBondContact O-N 3.17Å; Q819-E823 PolarHBondContact O-N 3.29Å |
| 820 | A | 97.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | A680 L681 Q686 V687 R699 K816 M817 L822 E823 | A680-A820 HydrophobicContact CB-CB 3.65Å; L681-A820 HydrophobicContact CD2-CB 4.03Å; Q686-A820 HydrophobicContact CB-CB 4.48Å; V687-A820 HydrophobicContact CG2-CB 3.69Å; R699-A820 PolarHBondContact NH1-O 3.26Å; K816-A820 PolarHBondContact O-N 3.47Å; M817-A820 PolarHBondContact O-N 3.21Å; A820-L822 VanDerWaalsContact C-N 3.29Å; A820-L822 PolarHBondContact O-N 3.15Å; A820-E823 PolarHBondContact O-N 2.69Å |
| 821 | I | 97.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 175.2 | -76 | 168.9 | 0 | 0 | 0 | 111.5 | L681 C695 L698 R699 M702 L715 L719 M817 R818 I825 | L681-I821 HydrophobicContact CD2-CG1 4.31Å; C695-I821 HydrophobicContact CB-CD1 4.05Å; C695-I821 HydrophobicContact CB-CG1 3.96Å; L698-I821 HydrophobicContact CB-CD1 4.09Å; L698-I821 HydrophobicContact CD1-CD1 4.18Å; R699-I821 HydrophobicContact CB-CG2 4.21Å; R699-I821 PolarHBondContact NH1-O 2.94Å; M702-I821 HydrophobicContact CG-CG2 4.27Å; L715-I821 HydrophobicContact CD1-CD1 4.21Å; L715-I821 HydrophobicContact CD1-CG2 4.41Å; L715-I821 HydrophobicContact CD2-CG2 4.17Å; L719-I821 HydrophobicContact CD1-CD1 4.23Å; L719-I821 HydrophobicContact CD2-CD1 3.8Å; M817-I821 WeakPolarHBondContact O-CB 3.48Å; M817-I821 VanDerWaalsContact O-CG1 3.26Å; M817-I821 WeakPolarHBondContact O-CG1 3.31Å; M817-I821 PolarHBondContact O-N 2.77Å; R818-I821 PolarHBondContact O-N 3.48Å; I821-I825 VanDerWaalsContact O-CD1 3.27Å; I821-I825 WeakPolarHBondContact O-CD1 3.45Å |
| 822 | L | 95.3 | Very high | 82.1 | Confident | 49 Ų | 49 | 72.1 Ų | 72.1 | 26% | 0.257 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -90.8 | -6.4 | -175.9 | -62.6 | -179.4 | 0 | 0 | 0 | 115 | M702 L715 R818 Q819 A820 G824 I825 L827 | M702-L822 HydrophobicContact CE-CD2 3.87Å; M702-L822 HydrophobicContact CG-CD2 4.19Å; L715-L822 HydrophobicContact CD2-CD2 4.37Å; R818-L822 HydrophobicContact CG-CD1 3.97Å; R818-L822 HydrophobicContact CG-CG 4.49Å; R818-L822 WeakPolarHBondContact O-CB 3.32Å; R818-L822 VanDerWaalsContact O-CG 3.23Å; R818-L822 WeakPolarHBondContact O-CG 3.19Å; R818-L822 PolarHBondContact O-N 2.98Å; Q819-L822 PolarHBondContact O-N 3.17Å; A820-L822 VanDerWaalsContact C-N 3.29Å; A820-L822 PolarHBondContact O-N 3.15Å; L822-G824 PolarHBondContact O-N 3.47Å; L822-I825 HydrophobicContact CD2-CD1 4.37Å; L822-I825 WeakPolarHBondContact O-CB 3.2Å; L822-I825 PolarHBondContact O-N 3.24Å; L822-L827 HydrophobicContact CD1-CD1 4.41Å; L822-L827 HydrophobicContact CD2-CD1 4.14Å |
| 823 | E | 94.4 | Very high | 80.4 | Confident | 85 Ų | 85 | 75.4 Ų | 75.4 | 40% | 0.397 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 122.9 | -178 | -175.6 | 179.4 | 99.1 | 0 | 0 | 111.8 | C678 A680 R699 Q819 A820 I825 | C678-E823 PolarHBondContact SG-OE1 2.85Å; A680-E823 VanDerWaalsContact CB-OE2 3.27Å; A680-E823 WeakPolarHBondContact CB-OE2 3.22Å; R699-E823 VanDerWaalsContact CZ-O 3.25Å; R699-E823 PolarHBondContact NH1-O 2.84Å; R699-E823 PolarHBondContact NH2-O 3.01Å; Q819-E823 PolarHBondContact O-N 3.29Å; A820-E823 PolarHBondContact O-N 2.69Å; E823-I825 PolarHBondContact O-N 3.33Å |
| 824 | G | 88.5 | Confident | 78.9 | Confident | 72 Ų | 72 | 76.9 Ų | 76.9 | 74% | 0.742 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 3.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L822 N826 | L822-G824 PolarHBondContact O-N 3.47Å; G824-N826 PolarHBondContact O-N 2.74Å |
| 825 | I | 88.9 | Confident | 77.4 | Confident | 27 Ų | 27 | 82 Ų | 82 | 14% | 0.138 | 47% | 0.467 | C | S | . | . | trans | -83.5 | 107 | 173.5 | -55 | -173 | 0 | 0 | 0 | 109.5 | R699 M702 Q703 I821 L822 E823 L827 | R699-I825 HydrophobicContact CG-CD1 4.27Å; M702-I825 HydrophobicContact CB-CD1 3.8Å; Q703-I825 HydrophobicContact CG-CD1 3.74Å; Q703-I825 HydrophobicContact CG-CG1 4.06Å; I821-I825 VanDerWaalsContact O-CD1 3.27Å; I821-I825 WeakPolarHBondContact O-CD1 3.45Å; L822-I825 HydrophobicContact CD2-CD1 4.37Å; L822-I825 WeakPolarHBondContact O-CB 3.2Å; L822-I825 PolarHBondContact O-N 3.24Å; E823-I825 PolarHBondContact O-N 3.33Å; I825-L827 VanDerWaalsContact C-N 3.31Å; I825-L827 HydrophobicContact CG2-CD2 3.7Å; I825-L827 HydrophobicContact CG2-CG 4.05Å; I825-L827 PolarHBondContact O-N 2.9Å | ||
| 826 | N | 73.9 | Confident | 75.7 | Confident | 147 Ų | 147 | 85.6 Ų | 85.6 | 79% | 0.786 | 50% | 0.495 | S | S | * | . | trans | -70.6 | 83.7 | 173.4 | -73.9 | -34.4 | 0 | 0 | 0 | 111.1 | G824 S828 | G824-N826 PolarHBondContact O-N 2.74Å; N826-S828 PolarHBondContact O-N 2.81Å | ||
| 827 | L | 67.3 | Low | 74.1 | Confident | 69 Ų | 69 | 89 Ų | 89 | 36% | 0.361 | 52% | 0.516 | S | S | . | . | trans | -71.2 | 26.4 | 174.8 | -65.8 | -179 | 0 | 0 | 0 | 113.8 | M702 R708 L822 I825 | M702-L827 HydrophobicContact CE-CD1 4.42Å; M702-L827 HydrophobicContact CE-CD2 3.71Å; R708-L827 PolarHBondContact NH2-O 2.69Å; L822-L827 HydrophobicContact CD1-CD1 4.41Å; L822-L827 HydrophobicContact CD2-CD1 4.14Å; I825-L827 VanDerWaalsContact C-N 3.31Å; I825-L827 HydrophobicContact CG2-CD2 3.7Å; I825-L827 HydrophobicContact CG2-CG 4.05Å; I825-L827 PolarHBondContact O-N 2.9Å | ||
| 828 | S | 49.1 | Very low | 72.2 | Confident | 89 Ų | 89 | 94.1 Ų | 94.1 | 62% | 0.622 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 145.1 | -178.4 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | N826 | N826-S828 PolarHBondContact O-N 2.81Š|
| 829 | R | 47.5 | Very low | 69.9 | Low | 222 Ų | 222 | 98.7 Ų | 98.7 | 84% | 0.838 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 146.7 | 162.4 | -146.9 | 175.4 | -162.6 | 170.8 | 3.2 | 107.4 | ||
| 830 | P | 47.9 | Very low | 67.6 | Low | 106 Ų | 106 | 98.2 Ų | 98.2 | 69% | 0.688 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 140.2 | 159.6 | 24.7 | -33.9 | 0 | 0 | 0 | 108.3 | ||
| 831 | P | 43.9 | Very low | 65.2 | Low | 113 Ų | 113 | 102.7 Ų | 102.7 | 73% | 0.734 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 145.4 | -179.6 | 25 | -33.7 | 0 | 0 | 0 | 109.6 | ||
| 832 | P | 51.4 | Low | 63 | Low | 112 Ų | 112 | 112.7 Ų | 112.7 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 143.7 | 171.4 | 27.1 | -33.9 | 0 | 0 | 0 | 108.9 | ||
| 833 | P | 60.8 | Low | 60.5 | Low | 115 Ų | 115 | 117.9 Ų | 117.9 | 75% | 0.747 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -56 | 142 | 173.5 | 25.7 | -34 | 0 | 0 | 0 | 109 | ||
| 834 | P | 67 | Low | 57.9 | Low | 114 Ų | 114 | 119.4 Ų | 119.4 | 74% | 0.74 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -57 | 141.3 | 178.4 | 25.1 | -33.8 | 0 | 0 | 0 | 109.4 | ||
| 835 | P | 66 | Low | 55.5 | Low | 108 Ų | 108 | 122.3 Ų | 122.3 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 142.4 | 175.3 | 26.2 | -34 | 0 | 0 | 0 | 109.2 | L837 | P835-L837 PolarHBondContact O-N 3.43Š|
| 836 | P | 62.1 | Low | 53.2 | Low | 126 Ų | 126 | 125.3 Ų | 125.3 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 126.9 | 177.5 | 24.7 | -33.4 | 0 | 0 | 0 | 109.1 | ||
| 837 | L | 64.4 | Low | 51.5 | Low | 162 Ų | 162 | 127.1 Ų | 127.1 | 85% | 0.848 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 136.5 | 178.6 | -69.5 | 170.4 | 0 | 0 | 0 | 109.3 | P835 | P835-L837 PolarHBondContact O-N 3.43Š|
| 838 | P | 58.8 | Low | 50.1 | Low | 108 Ų | 108 | 130.6 Ų | 130.6 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60 | 142.3 | 171.8 | 27.2 | -33.8 | 0 | 0 | 0 | 109.2 | ||
| 839 | P | 49.8 | Very low | 49.6 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 135.3 | 178.4 | 25.2 | -33.7 | 0 | 0 | 0 | 109.7 | A841 | P839-A841 PolarHBondContact O-N 3.2Š|
| 840 | P | 47.8 | Very low | 49.6 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 133 | -175.8 | 25.5 | -33.9 | 0 | 0 | 0 | 110.8 | ||
| 841 | A | 47.3 | Very low | 48.8 | Very low | 94 Ų | 94 | 130.3 Ų | 130.3 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 137 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P839 L843 | P839-A841 PolarHBondContact O-N 3.2Å; A841-L843 PolarHBondContact O-N 3.49Å |
| 842 | F | 50.8 | Low | 48.3 | Very low | 209 Ų | 209 | 135.1 Ų | 135.1 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 126.8 | 174.1 | -87.2 | -105.1 | 0 | 0 | 0 | 110.8 | ||
| 843 | L | 42.3 | Very low | 47.7 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | -133 | 151 | 161.6 | -72.7 | 176.6 | 0 | 0 | 0 | 109.9 | A841 | A841-L843 PolarHBondContact O-N 3.49Š| ||
| 844 | P | 39.5 | Very low | 46.6 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -83.5 | 154.1 | -164.2 | -11 | 29.7 | 0 | 0 | 0 | 113.7 | A846 | P844-A846 PolarHBondContact O-N 3.02Š| ||
| 845 | P | 39.2 | Very low | 45.3 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | trans | -83.3 | 112.7 | -179.3 | 32.1 | -33.2 | 0 | 0 | 0 | 112.5 | ||||
| 846 | A | 41.5 | Very low | 43.9 | Very low | 89 Ų | 89 | 141.6 Ų | 141.6 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -148.1 | 123.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P844 | P844-A846 PolarHBondContact O-N 3.02Š| ||
| 847 | M | 38.2 | Very low | 42.5 | Very low | 186 Ų | 186 | 146.3 Ų | 146.3 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | 60 | 106 | 159.3 | -56.1 | -163.2 | 174.2 | 0 | 0 | 119.8 | ||||
| 848 | V | 37.9 | Very low | 41.4 | Very low | 141 Ų | 141 | 144 Ų | 144 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -136.5 | 122.9 | 152.8 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 849 | P | 37.7 | Very low | 40.5 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | trans | -84.6 | 154.8 | 174.9 | 33.5 | -33.6 | 0 | 0 | 0 | 112.3 | ||||
| 850 | P | 47.3 | Very low | 39.8 | Very low | 113 Ų | 113 | 150.6 Ų | 150.6 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | trans | -103.2 | 133.3 | -166.7 | 36.4 | -31.3 | 0 | 0 | 0 | 114.3 | ||||
| 851 | F | 31.4 | Very low | 39.3 | Very low | 188 Ų | 188 | 150.9 Ų | 150.9 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -146 | 137.6 | 161.8 | -87.2 | -71.9 | 0 | 0 | 0 | 113.9 | ||||
| 852 | Y | 33.2 | Very low | 38.7 | Very low | 214 Ų | 214 | 155.6 Ų | 155.6 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | trans | 77.5 | 135.1 | 173.9 | -61.7 | -72.5 | 0 | 0 | 0 | 119.8 | ||||
| 853 | P | 39.7 | Very low | 37.7 | Very low | 122 Ų | 122 | 149.1 Ų | 149.1 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | trans | -103.8 | 165.4 | -171.8 | 40.8 | -36.4 | 0 | 0 | 0 | 114.7 | ||||
| 854 | M | 37.1 | Very low | 37.2 | Very low | 172 Ų | 172 | 145.2 Ų | 145.2 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | trans | -122.4 | 144.5 | 160.6 | -88.6 | -71.1 | -155.6 | 0 | 0 | 109.8 | ||||
| 855 | P | 40.3 | Very low | 37 | Very low | 124 Ų | 124 | 148.3 Ų | 148.3 | 81% | 0.805 | 83% | 0.826 | S | S | * | * | trans | -76.2 | 148.5 | -177.4 | 30.8 | -34.4 | 0 | 0 | 0 | 113.2 | ||||
| 856 | L | 35.6 | Very low | 37.5 | Very low | 166 Ų | 166 | 147.1 Ų | 147.1 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | trans | -94.6 | 152.2 | -173.9 | -71.5 | 155.7 | 0 | 0 | 0 | 113.2 | ||||
| 857 | Y | 32.2 | Very low | 38.1 | Very low | 225 Ų | 225 | 147.9 Ų | 147.9 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | trans | -116.6 | 149.9 | 150.2 | -89.7 | -87.8 | 0 | 0 | 0 | 109.2 | ||||
| 858 | P | 41.1 | Very low | 37.8 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -87 | 154.5 | -161.4 | 33.5 | -36.3 | 0 | 0 | 0 | 115 | ||||
| 859 | P | 40.7 | Very low | 37.3 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -90 | 168.5 | -179.3 | 37.2 | -36.9 | 0 | 0 | 0 | 114.1 | ||||
| 860 | R | 34.8 | Very low | 37.8 | Very low | 247 Ų | 247 | 147.3 Ų | 147.3 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | trans | -135.4 | 159.6 | 161.2 | -89.9 | -161.9 | 173.4 | -161.9 | -1.7 | 111.2 | ||||
| 861 | P | 38.5 | Very low | 37.1 | Very low | 126 Ų | 126 | 150.4 Ų | 150.4 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | -103.1 | 168.2 | -128.4 | 37.7 | -38.9 | 0 | 0 | 0 | 116.6 | |||||
| 862 | M | 33.4 | Very low | 37.1 | Very low | 192 Ų | 192 | 150 Ų | 150 | 95% | 0.946 | 80% | 0.804 | S | S | * | * | trans | -104.9 | 151.4 | 172 | -126.6 | -73.8 | -160.3 | 0 | 0 | 110.2 | ||||
| 863 | G | 31.1 | Very low | 38.1 | Very low | 74 Ų | 74 | 144 Ų | 144 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | 161.9 | 139.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 864 | G | 29.9 | Very low | 37.7 | Very low | 76 Ų | 76 | 146 Ų | 146 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | cis | -175.1 | 150.9 | -6.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 865 | M | 35.4 | Very low | 37.5 | Very low | 182 Ų | 182 | 145.6 Ų | 145.6 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | -84.9 | 165.3 | 169.2 | -123.8 | 70.3 | 174.1 | 0 | 0 | 110.1 | ||||
| 866 | P | 50.8 | Low | 38 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | -152.1 | -151.8 | 65.3 | 43.4 | -20.9 | 0 | 0 | 0 | 112.3 | |||||
| 867 | P | 53.6 | Low | 37.6 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | cis | -132.8 | 157.5 | -15.5 | 23.7 | 0.2 | 0 | 0 | 0 | 118 | ||||
| 868 | H | 31.3 | Very low | 37.8 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | trans | 40 | 120 | 140.4 | -52.1 | -50.6 | 0 | 0 | 0 | 125.8 | ||||
| 869 | H | 27.3 | Very low | 37.2 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | 44.7 | 170.3 | 114.9 | -64.1 | -47.3 | 0 | 0 | 0 | 123.7 | |||||
| 870 | P | 49.5 | Very low | 36.6 | Very low | 94 Ų | 94 | 148.1 Ų | 148.1 | 61% | 0.61 | 78% | 0.78 | S | S | * | * | cis | -132 | 173.7 | -9.9 | 17.7 | 8 | 0 | 0 | 0 | 116 | ||||
| 871 | H | 33 | Very low | 37.3 | Very low | 177 Ų | 177 | 141.8 Ų | 141.8 | 82% | 0.819 | 77% | 0.77 | S | S | * | * | 159.4 | 162.2 | 122.5 | -83.9 | -68 | 0 | 0 | 0 | 115.5 | |||||
| 872 | H | 31.3 | Very low | 36.8 | Very low | 180 Ų | 180 | 148.1 Ų | 148.1 | 83% | 0.833 | 78% | 0.778 | S | S | * | * | trans | -113.2 | -169.7 | -164.4 | -88.5 | -82 | 0 | 0 | 0 | 111.7 | ||||
| 873 | P | 53.1 | Low | 36.5 | Very low | 87 Ų | 87 | 142.7 Ų | 142.7 | 57% | 0.565 | 76% | 0.763 | S | S | * | * | cis | -139.5 | -173.1 | -47 | 39.6 | -23 | 0 | 0 | 0 | 114.4 | ||||
| 874 | H | 31.9 | Very low | 36.8 | Very low | 164 Ų | 164 | 148.5 Ų | 148.5 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | 66.9 | 151.2 | 154.3 | -67.3 | -43.3 | 0 | 0 | 0 | 119 | ||||
| 875 | H | 32.3 | Very low | 37.2 | Very low | 164 Ų | 164 | 151.1 Ų | 151.1 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | cis | -147.1 | -152.9 | -21 | -137.6 | -32.7 | 0 | 0 | 0 | 109.3 | ||||
| 876 | P | 51.4 | Low | 36.8 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | trans | -112.7 | 165.5 | -152.5 | 42.4 | -26.6 | 0 | 0 | 0 | 116.3 | ||||
| 877 | S | 28.1 | Very low | 36.2 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | 153.7 | 146 | 126.8 | 58.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 878 | Q | 35.6 | Very low | 35 | Very low | 161 Ų | 161 | 152.9 Ų | 152.9 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | 13.7 | 127.1 | 153.8 | -50.7 | -179.7 | 19.5 | 0 | 0 | 120.4 | ||||
| 879 | H | 28.1 | Very low | 35 | Very low | 185 Ų | 185 | 150.5 Ų | 150.5 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | -175.3 | -170.5 | 108.8 | -94.2 | -57.7 | 0 | 0 | 0 | 112.6 | |||||
| 880 | R | 29.3 | Very low | 35.8 | Very low | 244 Ų | 244 | 150 Ų | 150 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -109.1 | -176.3 | -159.2 | -116.5 | -165.1 | 177.1 | 165.7 | 0.1 | 113.3 | ||||
| 881 | P | 48.6 | Very low | 35.2 | Very low | 114 Ų | 114 | 150.1 Ų | 150.1 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | trans | -105.1 | 164.6 | -133.9 | 42 | -36.3 | 0 | 0 | 0 | 116 | ||||
| 882 | R | 27.8 | Very low | 35.8 | Very low | 259 Ų | 259 | 146.4 Ų | 146.4 | 98% | 0.977 | 78% | 0.777 | S | S | * | * | trans | -154.5 | 170.7 | 153 | -119.2 | 171.3 | -174.1 | 166 | 2.1 | 113.1 | ||||
| 883 | A | 26.5 | Very low | 36.6 | Very low | 77 Ų | 77 | 146 Ų | 146 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | trans | -121.4 | 158.7 | -153.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 884 | F | 37.5 | Very low | 37.3 | Very low | 197 Ų | 197 | 143.6 Ų | 143.6 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | 67.3 | 161.3 | 153 | -77.3 | -54.7 | 0 | 0 | 0 | 117.8 | ||||
| 885 | P | 38.8 | Very low | 39.1 | Very low | 130 Ų | 130 | 137 Ų | 137 | 84% | 0.844 | 74% | 0.743 | S | S | * | * | cis | -123.1 | 179.5 | 23.2 | 42.4 | -28.5 | 0 | 0 | 0 | 116.4 | ||||
| 886 | G | 27.5 | Very low | 41.2 | Very low | 72 Ų | 72 | 134.2 Ų | 134.2 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | trans | 166.9 | -14.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 887 | I | 37 | Very low | 41.6 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 86% | 0.862 | 72% | 0.718 | S | S | * | * | trans | -131.6 | 131.2 | -175.7 | -61.3 | 179.7 | 0 | 0 | 0 | 111.3 | ||||
| 888 | Q | 28.8 | Very low | 43.8 | Very low | 193 Ų | 193 | 132.5 Ų | 132.5 | 90% | 0.902 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 137.6 | 172.2 | -70.8 | -173 | -5.7 | 0 | 0 | 111.2 | ||
| 889 | S | 32.4 | Very low | 44.8 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 77% | 0.769 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 142.1 | -179.4 | 50.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 890 | I | 43.9 | Very low | 45.8 | Very low | 161 Ų | 161 | 126.5 Ų | 126.5 | 83% | 0.826 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 133.2 | 172.2 | -61 | 173.2 | 0 | 0 | 0 | 108.9 | ||
| 891 | P | 36.8 | Very low | 47.1 | Very low | 98 Ų | 98 | 117.9 Ų | 117.9 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 137.8 | -179.1 | -25.2 | 34.7 | 0 | 0 | 0 | 113 | Q893 | P891-Q893 PolarHBondContact O-N 2.98Š|
| 892 | P | 44.9 | Very low | 46.7 | Very low | 99 Ų | 99 | 119.3 Ų | 119.3 | 64% | 0.643 | 68% | 0.681 | S | S | * | * | trans | -81.2 | 28.7 | -176.4 | 35.5 | -38.4 | 0 | 0 | 0 | 113.5 | ||||
| 893 | Q | 49.1 | Very low | 48.8 | Very low | 170 Ų | 170 | 110.5 Ų | 110.5 | 79% | 0.794 | 66% | 0.656 | S | S | * | * | trans | -105.1 | 143.3 | -177.4 | -69.9 | -176.2 | -12.8 | 0 | 0 | 111.1 | P891 | P891-Q893 PolarHBondContact O-N 2.98Š| ||
| 894 | G | 67 | Low | 50.3 | Low | 38 Ų | 38 | 111 Ų | 111 | 39% | 0.392 | 65% | 0.65 | S | S | . | * | trans | -72.6 | 144.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | W907 | G894-W907 CarbonylContact C-O 3.56Å; G894-W907 VanDerWaalsContact C-O 3.24Å; G894-W907 WeakPolarHBondContact CA-O 3.3Å | ||
| 895 | G | 70.2 | Confident | 51.4 | Low | 24 Ų | 24 | 102.9 Ų | 102.9 | 25% | 0.247 | 62% | 0.622 | C | S | . | * | trans | -83.8 | 148.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q906 W907 | G895-Q906 WeakPolarHBondContact O-CA 3.23Å; G895-Q906 WeakPolarHBondContact O-CG 3.17Å; G895-W907 PolarHBondContact N-O 2.83Å; G895-W907 VanDerWaalsContact N-O 3.09Å; G895-W907 PolarHBondContact O-N 2.99Å | ||
| 896 | K | 76.8 | Confident | 52.9 | Low | 106 Ų | 106 | 103.2 Ų | 103.2 | 46% | 0.461 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.4 | 124.2 | 176.1 | -170.7 | -168.9 | -171.7 | -156 | 0 | 108.2 | E898 V903 Q906 | K896-E898 WeakPolarHBondContact CD-OE1 3.4Å; K896-E898 WeakPolarHBondContact CE-OE1 3.43Å; K896-E898 IonicContact NZ-OE1 3.16Å; K896-E898 PolarHBondContact NZ-OE1 3.28Å; K896-V903 HydrophobicContact CD-CG1 4.33Å; K896-V903 HydrophobicContact CG-CG1 3.79Å; K896-Q906 HydrophobicContact CB-CG 4.07Å; K896-Q906 HydrophobicContact CG-CB 4.45Å; K896-Q906 HydrophobicContact CG-CG 4.17Å |
| 897 | L | 59.3 | Low | 54.8 | Low | 85 Ų | 85 | 107.2 Ų | 107.2 | 45% | 0.445 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.1 | 179.4 | -179.4 | 63.9 | 0 | 0 | 0 | 109.8 | V904 G905 W907 | L897-V904 HydrophobicContact CB-CG2 4.33Å; L897-V904 HydrophobicContact CD2-CG2 3.93Å; L897-V904 HydrophobicContact CG-CG2 3.76Å; L897-V904 PolarHBondContact O-N 3.47Å; L897-G905 PolarHBondContact N-O 3.41Å; L897-G905 PolarHBondContact O-N 2.91Å; L897-W907 HydrophobicContact CB-CH2 4.34Å; L897-W907 HydrophobicContact CB-CZ3 4.01Å |
| 898 | E | 73.8 | Confident | 55.6 | Low | 92 Ų | 92 | 103.2 Ų | 103.2 | 43% | 0.43 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.5 | 141.6 | 177.6 | -56.6 | -171.5 | 172.4 | 0 | 0 | 110.5 | K896 M902 V903 | K896-E898 WeakPolarHBondContact CD-OE1 3.4Å; K896-E898 WeakPolarHBondContact CE-OE1 3.43Å; K896-E898 IonicContact NZ-OE1 3.16Å; K896-E898 PolarHBondContact NZ-OE1 3.28Å; E898-M902 CarbonylContact C-O 3.56Å; E898-M902 VanDerWaalsContact CA-O 3.23Å; E898-M902 WeakPolarHBondContact CA-O 3.21Å; E898-V903 HydrophobicContact CG-CG2 4.25Å |
| 899 | I | 57.6 | Low | 56.5 | Low | 111 Ų | 111 | 95.8 Ų | 95.8 | 57% | 0.569 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -129.3 | 127.3 | 173.4 | -62.6 | 179.6 | 0 | 0 | 0 | 107 | G901 M902 V904 | I899-G901 PolarHBondContact O-N 2.65Å; I899-M902 PolarHBondContact N-O 3.49Å; I899-M902 PolarHBondContact O-N 3.17Å; I899-V904 HydrophobicContact CB-CG1 4.32Å; I899-V904 HydrophobicContact CB-CG2 4.42Å; I899-V904 HydrophobicContact CD1-CG2 3.87Å; I899-V904 HydrophobicContact CG1-CG2 3.81Å |
| 900 | A | 47.6 | Very low | 57.1 | Low | 109 Ų | 109 | 98.3 Ų | 98.3 | 90% | 0.901 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.7 | 35.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | M902 | A900-M902 VanDerWaalsContact C-N 3.26Å; A900-M902 PolarHBondContact O-N 3.18Å |
| 901 | G | 56.7 | Low | 56.8 | Low | 62 Ų | 62 | 98.8 Ų | 98.8 | 64% | 0.639 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.7 | 2.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | I899 | I899-G901 PolarHBondContact O-N 2.65Š|
| 902 | M | 40.5 | Very low | 56.8 | Low | 145 Ų | 145 | 100.2 Ų | 100.2 | 71% | 0.714 | 58% | 0.583 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.3 | 136.9 | 172.5 | -69.8 | -166.7 | 70.7 | 0 | 0 | 111.4 | E898 I899 A900 V904 | E898-M902 CarbonylContact C-O 3.56Å; E898-M902 VanDerWaalsContact CA-O 3.23Å; E898-M902 WeakPolarHBondContact CA-O 3.21Å; I899-M902 PolarHBondContact N-O 3.49Å; I899-M902 PolarHBondContact O-N 3.17Å; A900-M902 VanDerWaalsContact C-N 3.26Å; A900-M902 PolarHBondContact O-N 3.18Å; M902-V904 PolarHBondContact O-N 3.08Å |
| 903 | V | 71.4 | Confident | 56.1 | Low | 74 Ų | 74 | 103.3 Ų | 103.3 | 45% | 0.448 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.1 | 118.8 | 179.9 | -162.9 | 0 | 0 | 0 | 0 | 110 | K896 E898 | K896-V903 HydrophobicContact CD-CG1 4.33Å; K896-V903 HydrophobicContact CG-CG1 3.79Å; E898-V903 HydrophobicContact CG-CG2 4.25Å |
| 904 | V | 58.6 | Low | 55.5 | Low | 87 Ų | 87 | 107.5 Ų | 107.5 | 53% | 0.527 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.3 | -9.5 | -178.9 | -63.7 | 0 | 0 | 0 | 0 | 113.4 | L897 I899 M902 | L897-V904 HydrophobicContact CB-CG2 4.33Å; L897-V904 HydrophobicContact CD2-CG2 3.93Å; L897-V904 HydrophobicContact CG-CG2 3.76Å; L897-V904 PolarHBondContact O-N 3.47Å; I899-V904 HydrophobicContact CB-CG1 4.32Å; I899-V904 HydrophobicContact CB-CG2 4.42Å; I899-V904 HydrophobicContact CD1-CG2 3.87Å; I899-V904 HydrophobicContact CG1-CG2 3.81Å; M902-V904 PolarHBondContact O-N 3.08Å |
| 905 | G | 60.3 | Low | 53.7 | Low | 27 Ų | 27 | 109 Ų | 109 | 28% | 0.278 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -169 | 152.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L897 | L897-G905 PolarHBondContact N-O 3.41Å; L897-G905 PolarHBondContact O-N 2.91Å |
| 906 | Q | 70.6 | Confident | 52.1 | Low | 137 Ų | 137 | 120.6 Ų | 120.6 | 64% | 0.64 | 65% | 0.654 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -150.2 | 138.1 | 172.3 | -166.5 | 171.1 | 3.6 | 0 | 0 | 109.5 | G895 K896 | G895-Q906 WeakPolarHBondContact O-CA 3.23Å; G895-Q906 WeakPolarHBondContact O-CG 3.17Å; K896-Q906 HydrophobicContact CB-CG 4.07Å; K896-Q906 HydrophobicContact CG-CB 4.45Å; K896-Q906 HydrophobicContact CG-CG 4.17Å |
| 907 | W | 67.9 | Low | 49.8 | Very low | 156 Ų | 156 | 118.6 Ų | 118.6 | 59% | 0.591 | 66% | 0.664 | S | S | * | * | trans | -136 | 150.5 | -178.8 | 58.3 | 90.9 | 0 | 0 | 0 | 111.1 | G894 G895 L897 | G894-W907 CarbonylContact C-O 3.56Å; G894-W907 VanDerWaalsContact C-O 3.24Å; G894-W907 WeakPolarHBondContact CA-O 3.3Å; G895-W907 PolarHBondContact N-O 2.83Å; G895-W907 VanDerWaalsContact N-O 3.09Å; G895-W907 PolarHBondContact O-N 2.99Å; L897-W907 HydrophobicContact CB-CH2 4.34Å; L897-W907 HydrophobicContact CB-CZ3 4.01Å | ||
| 908 | A | 53.6 | Low | 48.9 | Very low | 84 Ų | 84 | 118.3 Ų | 118.3 | 69% | 0.694 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 154.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 909 | G | 47.9 | Very low | 46.7 | Very low | 36 Ų | 36 | 123.5 Ų | 123.5 | 37% | 0.371 | 70% | 0.702 | S | S | . | * | P | Polyproline II helix | trans | -77.3 | 130.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 910 | N | 44 | Very low | 45.3 | Very low | 164 Ų | 164 | 126 Ų | 126 | 88% | 0.877 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 129.5 | 179.9 | -82 | -21.9 | 0 | 0 | 0 | 112 | ||
| 911 | K | 39 | Very low | 44.6 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 74% | 0.739 | 72% | 0.715 | S | S | * | * | trans | -106.6 | 130.9 | 156.5 | -74 | -172.6 | 177.2 | -177.6 | 0 | 109 | L913 | K911-L913 PolarHBondContact O-N 3.35Š| ||
| 912 | P | 36 | Very low | 43.1 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 84% | 0.838 | 72% | 0.724 | S | S | * | * | trans | -73.7 | 120.3 | 175.2 | 29.6 | -32.7 | 0 | 0 | 0 | 110.3 | ||||
| 913 | L | 30.5 | Very low | 42.7 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 85% | 0.853 | 73% | 0.726 | S | S | * | * | trans | -128.3 | 132.5 | 171.1 | -132.8 | 77.8 | 0 | 0 | 0 | 109.9 | K911 G915 | K911-L913 PolarHBondContact O-N 3.35Å; L913-G915 PolarHBondContact O-N 2.93Å | ||
| 914 | R | 35.9 | Very low | 40.6 | Very low | 258 Ų | 258 | 135.4 Ų | 135.4 | 97% | 0.974 | 74% | 0.737 | S | S | * | * | trans | -71.3 | 119.9 | 170.1 | -78 | -179.8 | 167.8 | -173.7 | -2.7 | 109.4 | ||||
| 915 | G | 29.6 | Very low | 39.2 | Very low | 71 Ų | 71 | 136.5 Ų | 136.5 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | trans | 167.7 | 141.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L913 G917 | L913-G915 PolarHBondContact O-N 2.93Å; G915-G917 PolarHBondContact O-N 3.43Å | ||
| 916 | R | 35.9 | Very low | 37.6 | Very low | 266 Ų | 266 | 142 Ų | 142 | 100% | 1.004 | 78% | 0.776 | S | S | * | * | trans | -55.5 | 128.4 | 170.5 | -85.3 | 175.9 | 160.7 | -172.2 | -4.5 | 111.4 | ||||
| 917 | G | 28.8 | Very low | 35.4 | Very low | 65 Ų | 65 | 138.2 Ų | 138.2 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | trans | 166.8 | 122.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G915 | G915-G917 PolarHBondContact O-N 3.43Š| ||
| 918 | G | 40.7 | Very low | 33.5 | Very low | 79 Ų | 79 | 136.4 Ų | 136.4 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | -83.6 | 148.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 919 | F | 27.6 | Very low | 32.3 | Very low | 200 Ų | 200 | 136.2 Ų | 136.2 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -128 | 135.2 | 170.6 | -84.7 | -87 | 0 | 0 | 0 | 110.5 | ||||
| 920 | N | 27.6 | Very low | 31.5 | Very low | 163 Ų | 163 | 145 Ų | 145 | 87% | 0.872 | 83% | 0.826 | S | S | * | * | trans | -81.8 | 122.6 | 178.4 | -66.1 | -23.3 | 0 | 0 | 0 | 110 | Q922 | N920-Q922 PolarHBondContact O-N 2.67Š| ||
| 921 | M | 32.8 | Very low | 30.8 | Very low | 175 Ų | 175 | 140.9 Ų | 140.9 | 86% | 0.862 | 82% | 0.823 | S | S | * | * | trans | -85.8 | 94.5 | 172.4 | -166.7 | 168.2 | 72.5 | 0 | 0 | 109.4 | V923 | M921-V923 PolarHBondContact O-N 3.12Å; M921-V923 VanDerWaalsContact O-N 3.16Å | ||
| 922 | Q | 26.8 | Very low | 30.4 | Very low | 175 Ų | 175 | 145.1 Ų | 145.1 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -79.1 | 96.9 | -174 | -170.9 | 172.2 | 6.1 | 0 | 0 | 111.3 | N920 V924 | N920-Q922 PolarHBondContact O-N 2.67Å; Q922-V924 PolarHBondContact O-N 2.86Å | ||
| 923 | V | 30.4 | Very low | 30.1 | Very low | 125 Ų | 125 | 142.2 Ų | 142.2 | 76% | 0.758 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 116.7 | 173.6 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | M921 | M921-V923 PolarHBondContact O-N 3.12Å; M921-V923 VanDerWaalsContact O-N 3.16Å |
| 924 | V | 28.2 | Very low | 30.1 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 69% | 0.685 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 119 | 173.9 | -176.4 | 0 | 0 | 0 | 0 | 109 | Q922 | Q922-V924 PolarHBondContact O-N 2.86Š|
| 925 | S | 28.3 | Very low | 29.7 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 127 | 174.6 | -174 | 0 | 0 | 0 | 0 | 110.5 | G927 | S925-G927 PolarHBondContact O-N 3.2Š|
| 926 | V | 27 | Very low | 29.6 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -92.2 | 76.7 | 175.3 | -170.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 927 | G | 25.4 | Very low | 29.9 | Very low | 58 Ų | 58 | 136 Ų | 136 | 60% | 0.598 | 81% | 0.809 | S | S | * | * | trans | -70.7 | 162.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S925 | S925-G927 PolarHBondContact O-N 3.2Š| ||
| 928 | A | 28.3 | Very low | 29.9 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 97% | 0.967 | 81% | 0.814 | S | S | * | * | trans | -64.1 | 145.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 929 | G | 28.3 | Very low | 29.4 | Very low | 80 Ų | 80 | 142.7 Ų | 142.7 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -163.5 | 120 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 930 | K | 31.1 | Very low | 29.5 | Very low | 220 Ų | 220 | 140.7 Ų | 140.7 | 96% | 0.957 | 81% | 0.812 | S | S | * | * | trans | -138.8 | 84.4 | 170.9 | -169.9 | -178.4 | -175.3 | -179.2 | 0 | 109.2 | ||||
| 931 | G | 28.1 | Very low | 29.5 | Very low | 78 Ų | 78 | 142.5 Ų | 142.5 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -169 | 136.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 932 | R | 31.8 | Very low | 29.2 | Very low | 260 Ų | 260 | 137.6 Ų | 137.6 | 98% | 0.981 | 81% | 0.806 | S | S | * | * | trans | -74 | 158 | 178.1 | -56.4 | 159 | 176.5 | 170.6 | -4.6 | 110 | ||||
| 933 | G | 28.3 | Very low | 29.3 | Very low | 68 Ų | 68 | 137.4 Ų | 137.4 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | cis | 153.6 | 160 | -1.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 934 | K | 30.8 | Very low | 29.2 | Very low | 185 Ų | 185 | 141 Ų | 141 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 66.9 | 152.6 | -175 | -64.9 | 177.1 | 160.9 | -111.4 | 0 | 114.8 | ||||
| 935 | E | 27.1 | Very low | 29.2 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 72% | 0.715 | 82% | 0.82 | S | S | * | * | cis | -153.8 | 171.6 | -11.4 | -118.1 | 154.9 | -152.4 | 0 | 0 | 109.7 | ||||
| 936 | I | 29.2 | Very low | 29.8 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | trans | -137.7 | 126.3 | -176.7 | -30.8 | 175.3 | 0 | 0 | 0 | 112 | ||||
| 937 | P | 41 | Very low | 29.8 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | -139 | 178.3 | 111.8 | 20 | 1.9 | 0 | 0 | 0 | 111.4 | |||||
| 938 | A | 29.7 | Very low | 29.9 | Very low | 92 Ų | 92 | 145 Ų | 145 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | cis | -158.2 | 147.5 | -17 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 939 | K | 29.8 | Very low | 29.9 | Very low | 193 Ų | 193 | 146.6 Ų | 146.6 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | cis | 93.9 | 137.9 | 48.9 | -153.6 | -173.7 | -170.7 | 176.5 | 0 | 112.8 | ||||
| 940 | I | 28.7 | Very low | 29.9 | Very low | 158 Ų | 158 | 153.2 Ų | 153.2 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | 89.8 | 146.3 | 170.9 | -55.1 | 173 | 0 | 0 | 0 | 116.2 | ||||
| 941 | K | 28.3 | Very low | 29.7 | Very low | 201 Ų | 201 | 146.8 Ų | 146.8 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | cis | -175.6 | 144.5 | -40.7 | -157.7 | 176.9 | -174.8 | -176.9 | 0 | 109.9 | ||||
| 942 | G | 26.9 | Very low | 29.8 | Very low | 71 Ų | 71 | 151.5 Ų | 151.5 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | 98.8 | 130.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 943 | M | 28.7 | Very low | 29.8 | Very low | 172 Ų | 172 | 145 Ų | 145 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | cis | 99.6 | 93.3 | 13.9 | -166.5 | 177.8 | 73.3 | 0 | 0 | 116.1 | ||||
| 944 | K | 29.3 | Very low | 30.9 | Very low | 199 Ų | 199 | 147.2 Ų | 147.2 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | -171.4 | 149.3 | 123.7 | -103.4 | 167 | -175.7 | -178.9 | 0 | 113.3 | |||||
| 945 | K | 27.6 | Very low | 32.3 | Very low | 196 Ų | 196 | 143.8 Ų | 143.8 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | -94.8 | -179.3 | 161.8 | -70.8 | -173.7 | 173.6 | -175.8 | 0 | 108 | ||||
| 946 | P | 40.8 | Very low | 33.5 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | cis | -144.4 | -161.6 | 11.2 | 45 | -24.8 | 0 | 0 | 0 | 116.2 | ||||
| 947 | A | 26.4 | Very low | 33.4 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | 87.9 | 134.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 948 | A | 28.3 | Very low | 32.8 | Very low | 93 Ų | 93 | 139.4 Ų | 139.4 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -113.8 | 157.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 949 | N | 28.4 | Very low | 33.7 | Very low | 150 Ų | 150 | 140 Ų | 140 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | -158.1 | 163 | 130.2 | -120.5 | -34.8 | 0 | 0 | 0 | 114.3 | ||||
| 950 | R | 28 | Very low | 33.6 | Very low | 218 Ų | 218 | 137.6 Ų | 137.6 | 82% | 0.823 | 79% | 0.785 | S | S | * | * | trans | -17.3 | 158.2 | 151.5 | -79.8 | 171.4 | 157 | 179.7 | -7.6 | 118 | ||||
| 951 | S | 27.7 | Very low | 33.8 | Very low | 86 Ų | 86 | 139.4 Ų | 139.4 | 60% | 0.601 | 79% | 0.787 | S | S | * | * | cis | 177.7 | 171.1 | -17.3 | 51.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 952 | Q | 28.8 | Very low | 34.5 | Very low | 176 Ų | 176 | 135.4 Ų | 135.4 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | 77.5 | 95.7 | 162.4 | -63.4 | 170.7 | -18.1 | 0 | 0 | 119.3 | ||||
| 953 | T | 32.1 | Very low | 34.5 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | -5.4 | 165.2 | 123.2 | 54.3 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 954 | P | 52.1 | Low | 34.5 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | cis | -129.1 | -117.3 | -17.5 | 25.6 | 0.8 | 0 | 0 | 0 | 115.5 | ||||
| 955 | P | 59.3 | Low | 34.6 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | -116.9 | -154.5 | -119.8 | 42.8 | -22.3 | 0 | 0 | 0 | 112 | |||||
| 956 | P | 51.9 | Low | 34.6 | Very low | 104 Ų | 104 | 130 Ų | 130 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | cis | -141.9 | -163.5 | -0.1 | 42.8 | -21.3 | 0 | 0 | 0 | 117 | ||||
| 957 | T | 27.3 | Very low | 33.9 | Very low | 139 Ų | 139 | 127.7 Ų | 127.7 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | 81.3 | 147.5 | 155.4 | 39 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 958 | S | 28.9 | Very low | 33.9 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -105.5 | -164.4 | -177.5 | 59.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 959 | P | 49.3 | Very low | 34.1 | Very low | 106 Ų | 106 | 128.9 Ų | 128.9 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | cis | -134.4 | -174.5 | -4.3 | 40.6 | -21.9 | 0 | 0 | 0 | 114.5 | ||||
| 960 | T | 28.1 | Very low | 34.9 | Very low | 141 Ų | 141 | 127 Ų | 127 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | 171.3 | 156.6 | 120.4 | 40.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 961 | K | 30.9 | Very low | 34.8 | Very low | 197 Ų | 197 | 125.1 Ų | 125.1 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | trans | -99.8 | 175.3 | 164.1 | -100.7 | -176 | 177.2 | -172.7 | 0 | 109 | ||||
| 962 | P | 43.9 | Very low | 34.9 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | cis | -134.4 | -157.3 | 32.5 | 33.8 | -7.8 | 0 | 0 | 0 | 112.6 | ||||
| 963 | S | 27.1 | Very low | 35.8 | Very low | 87 Ų | 87 | 123.8 Ų | 123.8 | 61% | 0.608 | 76% | 0.763 | S | S | * | * | cis | -147.6 | 155.8 | 4.9 | -26.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 964 | E | 29.4 | Very low | 35.6 | Very low | 182 Ų | 182 | 123.6 Ų | 123.6 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | 55.1 | 137.4 | 91.2 | -55.3 | 174.2 | 149.3 | 0 | 0 | 114.9 | |||||
| 965 | E | 29.6 | Very low | 34.4 | Very low | 178 Ų | 178 | 125.7 Ų | 125.7 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | cis | -160.7 | -170.7 | -10.5 | -131.6 | -126.4 | 122.2 | 0 | 0 | 107.6 | ||||
| 966 | A | 29.1 | Very low | 32.9 | Very low | 77 Ų | 77 | 127.7 Ų | 127.7 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | cis | -156.3 | 158.1 | 6.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 967 | G | 26.2 | Very low | 31.7 | Very low | 72 Ų | 72 | 129 Ų | 129 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | trans | 66.5 | 164.3 | 154.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 968 | S | 25.8 | Very low | 31.7 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | cis | -161.6 | 155.1 | -14.5 | 52.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 969 | A | 31.9 | Very low | 31.6 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | trans | -100.7 | 172.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 970 | P | 44.6 | Very low | 30.5 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | -153.3 | 168.7 | 91 | 39.8 | -20.8 | 0 | 0 | 0 | 117.9 | |||||
| 971 | E | 27.8 | Very low | 30.3 | Very low | 177 Ų | 177 | 128.1 Ų | 128.1 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | 41.6 | 132.2 | 141.3 | -62.1 | 169.1 | 154.4 | 0 | 0 | 121.8 | ||||
| 972 | V | 29.9 | Very low | 30.1 | Very low | 132 Ų | 132 | 123.3 Ų | 123.3 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | cis | 74.6 | 123.6 | 45 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 973 | P | 46.4 | Very low | 29.2 | Very low | 103 Ų | 103 | 122.4 Ų | 122.4 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | -155.6 | 171.7 | 60.2 | 42.2 | -20.6 | 0 | 0 | 0 | 120.9 | |||||
| 974 | T | 28.1 | Very low | 29.1 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | 64.5 | 158.2 | 150.6 | 47.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 975 | Q | 28 | Very low | 28.9 | Very low | 158 Ų | 158 | 119 Ų | 119 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | cis | -154 | 146.7 | -0.1 | -131.8 | 168.3 | 23.2 | 0 | 0 | 114.3 | ||||
| 976 | Q | 27.7 | Very low | 28.7 | Very low | 154 Ų | 154 | 118.4 Ų | 118.4 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | 49.7 | 126.1 | 143.9 | -80.8 | -176.8 | -2.7 | 0 | 0 | 126.8 | ||||
| 977 | L | 26.7 | Very low | 28.4 | Very low | 130 Ų | 130 | 118.5 Ų | 118.5 | 68% | 0.681 | 78% | 0.779 | S | S | * | * | 89.5 | 128.3 | 126.2 | -73.7 | 168.7 | 0 | 0 | 0 | 124.8 | |||||
| 978 | N | 26.7 | Very low | 28.4 | Very low | 156 Ų | 156 | 123.8 Ų | 123.8 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | 62.7 | 129 | 149 | -69.7 | -8.5 | 0 | 0 | 0 | 121.9 | ||||
| 979 | G | 25.6 | Very low | 28.9 | Very low | 80 Ų | 80 | 122.9 Ų | 122.9 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | 154 | 76.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 980 | S | 26.1 | Very low | 28.5 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -78.2 | 126.7 | 175 | -56.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 981 | S | 25.6 | Very low | 27.5 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 176.6 | 135.1 | 130.7 | -82.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 982 | A | 25.5 | Very low | 27.3 | Very low | 96 Ų | 96 | 129.1 Ų | 129.1 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | trans | 49.4 | 121.3 | 140.2 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 983 | A | 25.3 | Very low | 27 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | 89.4 | 145.5 | 132.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 984 | S | 25.4 | Very low | 26 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | 68.7 | 148.4 | 178.2 | -119.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 985 | A | 24.8 | Very low | 25.9 | Very low | 71 Ų | 71 | 131.8 Ų | 131.8 | 59% | 0.587 | 80% | 0.804 | S | S | * | * | cis | -154.4 | 172.6 | 9.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 986 | I | 25.6 | Very low | 25.8 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | 52.1 | 117.4 | 146.9 | -62.9 | 155 | 0 | 0 | 0 | 118.5 | ||||
| 987 | G | 23.5 | Very low | 25.9 | Very low | 78 Ų | 78 | 130.3 Ų | 130.3 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -124.6 | 125.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 988 | Q | 24.6 | Very low | 25.9 | Very low | 183 Ų | 183 | 130.2 Ų | 130.2 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | trans | -128.4 | 167.6 | 167.2 | -116.5 | -155.8 | -1.8 | 0 | 0 | 109.2 | ||||
| 989 | P | 36.9 | Very low | 25.8 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 71% | 0.708 | 82% | 0.82 | S | S | * | * | -101.4 | 163.5 | -115.5 | 38.9 | -36.4 | 0 | 0 | 0 | 114.2 | |||||
| 990 | L | 24.1 | Very low | 26 | Very low | 181 Ų | 181 | 132 Ų | 132 | 95% | 0.948 | 82% | 0.824 | S | S | * | * | trans | -141.3 | 156.4 | 165.5 | -106.1 | 165.9 | 0 | 0 | 0 | 111 | ||||
| 991 | E | 22.8 | Very low | 25.9 | Very low | 170 Ų | 170 | 130.8 Ų | 130.8 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | -98.2 | 169.1 | -168.2 | -74.7 | -164.1 | 121.7 | 0 | 0 | 114.8 | ||||
| 992 | L | 24.2 | Very low | 26 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | 54.1 | 113.4 | 156.1 | -94.1 | 76.5 | 0 | 0 | 0 | 119.3 | ||||
| 993 | A | 24.3 | Very low | 26 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -140.5 | 151 | 148 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 994 | Q | 24.1 | Very low | 26.1 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | trans | -91.9 | 158.6 | -174.7 | -71.4 | 173.7 | -45.3 | 0 | 0 | 112.5 | ||||
| 995 | P | 26.3 | Very low | 26.3 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | -74.5 | 132.4 | 176.2 | 30.8 | -34.6 | 0 | 0 | 0 | 111.9 | ||||
| 996 | I | 26.7 | Very low | 26.4 | Very low | 157 Ų | 157 | 145.8 Ų | 145.8 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | trans | -135.5 | 141.3 | 175.5 | -67.7 | -175.4 | 0 | 0 | 0 | 107.1 | ||||
| 997 | P | 28.5 | Very low | 26.5 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | trans | -91.4 | 172.4 | -144.6 | 35.3 | -38.2 | 0 | 0 | 0 | 116.4 | ||||
| 998 | C | 27.6 | Very low | 26.8 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 87% | 0.872 | 84% | 0.835 | S | S | * | * | trans | -61.7 | 145.8 | 176.1 | -63.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 999 | A | 23.9 | Very low | 26.9 | Very low | 100 Ų | 100 | 143.8 Ų | 143.8 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | trans | -140 | 108.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1000 | L | 29.5 | Very low | 26.5 | Very low | 174 Ų | 174 | 146 Ų | 146 | 91% | 0.911 | 84% | 0.837 | S | S | * | * | trans | -92.2 | 104.3 | 166.6 | -77.5 | 173.1 | 0 | 0 | 0 | 108.1 | S1002 | L1000-S1002 PolarHBondContact O-N 2.75Š| ||
| 1001 | A | 23.9 | Very low | 26.6 | Very low | 95 Ų | 95 | 145.8 Ų | 145.8 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | trans | -75.7 | 117.3 | 173 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1002 | S | 27.4 | Very low | 26.9 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 83% | 0.829 | S | S | * | * | trans | -61.3 | 148.4 | 156.8 | -168.7 | 0 | 0 | 0 | 0 | 108.8 | L1000 | L1000-S1002 PolarHBondContact O-N 2.75Š| ||
| 1003 | R | 27.3 | Very low | 27 | Very low | 233 Ų | 233 | 144.8 Ų | 144.8 | 88% | 0.879 | 83% | 0.831 | S | S | * | * | trans | -147 | 84.8 | 177 | -151.4 | 173.9 | -169 | -179 | 2.8 | 111.6 | ||||
| 1004 | D | 26.9 | Very low | 27.1 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 74% | 0.738 | 83% | 0.825 | S | S | * | * | trans | -55.2 | 155.7 | 158.1 | -57.3 | -76.3 | 0 | 0 | 0 | 110.5 | ||||
| 1005 | N | 28.5 | Very low | 28.2 | Very low | 158 Ų | 158 | 141 Ų | 141 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -139.9 | 113.9 | 171.2 | -154.1 | 62.4 | 0 | 0 | 0 | 108.5 | ||||
| 1006 | Q | 28.6 | Very low | 28.2 | Very low | 188 Ų | 188 | 140 Ų | 140 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | trans | -79.3 | 155.5 | -175.5 | -68.1 | 172.5 | -31.2 | 0 | 0 | 112.1 | ||||
| 1007 | S | 27.8 | Very low | 28.2 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -143.6 | 138.6 | 153.9 | 57.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1008 | E | 28.5 | Very low | 28.2 | Very low | 203 Ų | 203 | 139.2 Ų | 139.2 | 95% | 0.949 | 81% | 0.813 | S | S | * | * | trans | -64.6 | 159.1 | -177.4 | -58 | 160.6 | 144.3 | 0 | 0 | 111.7 | ||||
| 1009 | G | 26.7 | Very low | 28.2 | Very low | 66 Ų | 66 | 139.6 Ų | 139.6 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | cis | 174.1 | -148.1 | 2.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1010 | V | 27.9 | Very low | 28.4 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | trans | 83.7 | 146.9 | -178.8 | -170.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1011 | E | 27.4 | Very low | 28.3 | Very low | 177 Ų | 177 | 138.1 Ų | 138.1 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -101.4 | 165.4 | -160.7 | -54.7 | 162.8 | 119.5 | 0 | 0 | 113.4 | ||||
| 1012 | V | 29.6 | Very low | 29.5 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 74% | 0.739 | 79% | 0.794 | S | S | * | * | 161.9 | 130.6 | 121.6 | 158.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1013 | E | 26.5 | Very low | 29.5 | Very low | 188 Ų | 188 | 140.4 Ų | 140.4 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | 56.6 | 138.4 | 159.9 | -73.6 | 171.2 | 169.1 | 0 | 0 | 123.6 | ||||
| 1014 | A | 25.8 | Very low | 29.5 | Very low | 90 Ų | 90 | 137.1 Ų | 137.1 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | -122.6 | -175.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1015 | P | 46.8 | Very low | 29.5 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | cis | -145 | -144.4 | 16.3 | 42.2 | -18.1 | 0 | 0 | 0 | 114.4 | ||||
| 1016 | C | 26.3 | Very low | 29.4 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 75% | 0.75 | 80% | 0.798 | S | S | * | * | trans | 80.9 | 114.7 | 174.1 | -59.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1017 | C | 27.7 | Very low | 29.4 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | cis | 99.3 | 137.1 | 17.7 | -53.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 1018 | L | 27.7 | Very low | 29.3 | Very low | 152 Ų | 152 | 133.9 Ų | 133.9 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | 73 | 151.4 | 168.6 | -46.7 | 178.7 | 0 | 0 | 0 | 117.5 | ||||
| 1019 | D | 28.1 | Very low | 29.2 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | cis | -164.1 | 162.3 | -42.1 | -111 | -20.5 | 0 | 0 | 0 | 111.7 | ||||
| 1020 | D | 27.9 | Very low | 29.1 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | 35 | 118.6 | 154.8 | -86.2 | -28.2 | 0 | 0 | 0 | 125.3 | ||||
| 1021 | C | 27 | Very low | 29.2 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | 72.2 | 178.4 | 125.5 | -64.1 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 1022 | P | 49.8 | Very low | 29.2 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | -132.8 | 176.5 | -108.4 | 29.9 | -4.1 | 0 | 0 | 0 | 116.3 | |||||
| 1023 | S | 26.4 | Very low | 29.2 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -155.4 | 150.5 | 167.3 | -177.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1024 | D | 27.9 | Very low | 29.4 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -61.1 | 157.5 | 164.2 | -77.6 | -67 | 0 | 0 | 0 | 113.1 | ||||
| 1025 | G | 25.7 | Very low | 29.6 | Very low | 78 Ų | 78 | 141.4 Ų | 141.4 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -176.2 | 106.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1026 | A | 27 | Very low | 28.5 | Very low | 92 Ų | 92 | 143.3 Ų | 143.3 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | trans | -82.8 | 152.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1027 | L | 28.5 | Very low | 28.7 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 83% | 0.827 | 82% | 0.824 | S | S | * | * | trans | 51 | 109.8 | 150.4 | -66.5 | 164.6 | 0 | 0 | 0 | 118.7 | ||||
| 1028 | Q | 25.5 | Very low | 28.7 | Very low | 205 Ų | 205 | 147.8 Ų | 147.8 | 96% | 0.958 | 83% | 0.828 | S | S | * | * | -162.1 | -163.2 | 112.7 | -110.1 | 168.3 | 66.6 | 0 | 0 | 114 | |||||
| 1029 | K | 26.1 | Very low | 28.8 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 72% | 0.722 | 83% | 0.83 | S | S | * | * | trans | -126.7 | 162.4 | -146.8 | -163.9 | -170.1 | 176.1 | -131.9 | 0 | 110.4 | ||||
| 1030 | E | 25.5 | Very low | 28.9 | Very low | 158 Ų | 158 | 148.4 Ų | 148.4 | 74% | 0.738 | 84% | 0.839 | S | S | * | * | trans | 68.5 | 145.1 | 174.6 | -71.7 | 141.3 | -153.2 | 0 | 0 | 114.4 | ||||
| 1031 | E | 28.9 | Very low | 28.9 | Very low | 268 Ų | 268 | 149.6 Ų | 149.6 | 100% | 1.252 | 85% | 0.85 | S | S | * | * | cis | -115.4 | 0 | 8.1 | -169.1 | 171.5 | -175.9 | 0 | 0 | 113.2 |
Retrieved 1,031 of 1,031 residues in 529.5 ms
(Link to these results)